Datasets: All that structure matches does not glitter
Collection
Datasets from Martirossyan et al., All that structure matches does not glitter
•
4 items
•
Updated
Datasets:
Dataset Viewer
id
string | hash
string | last_modified
timestamp[ns] | dataset_ids
sequence | chemical_formula_hill
string | chemical_formula_reduced
string | chemical_formula_anonymous
string | elements
sequence | elements_ratios
sequence | atomic_numbers
sequence | nsites
int32 | nelements
int32 | nperiodic_dimensions
int32 | cell
sequence | dimension_types
sequence | pbc
sequence | names
sequence | labels
sequence | metadata_id
string | metadata_path
string | metadata_size
int32 | structure_hash
string | positions
sequence |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
CO_9232387380932532008013678
|
9232387380932532008013678415070612625268851637654946605899307426317394535690189700856411741829609724000465594496026922474145711307583293683324902206168074
| 2025-07-03T20:02:02
| null |
LaO3Os
|
LaO3Os
|
A3BC
|
[
"La",
"O",
"Os"
] |
[
0.2,
0.6,
0.2
] |
[
57,
76,
8,
8,
8
] | 5
| 3
| 3
|
[
[
4.42397634,
0,
2.7089042321423114e-16
],
[
7.114296553987549e-16,
4.42397634,
2.7089042321423114e-16
],
[
0,
0,
4.42397634
]
] |
[
1,
1,
1
] |
[
true,
true,
true
] |
[
"carbon_x_0"
] | null | null | null | null |
7310970673027381265893200879697724394848849088958208670487825532835066522745873261203052478194785747107339003668558569398976256117733868282607866365566523
|
[
[
2.29702584,
2.21198817,
2.21198817
],
[
1.3003333,
0,
4.42397634
],
[
1.4689586,
0,
2.21198817
],
[
1.4689586,
2.21198817,
4.42397634
],
[
4.40149851,
2.21198817,
2.21198817
]
] |
CO_3739576345894316295390362
|
3739576345894316295390362941938356302602329838817574948166212530826014115464481190095856299598906178202325510339952140604407980074269333138266292128209631
| 2025-07-03T20:02:02
| null |
LaO3Os
|
LaO3Os
|
A3BC
|
[
"La",
"O",
"Os"
] |
[
0.2,
0.6,
0.2
] |
[
57,
76,
8,
8,
8
] | 5
| 3
| 3
|
[
[
4.0730676,
0,
2.494034599525396e-16
],
[
6.549992261224058e-16,
4.0730676,
2.494034599525396e-16
],
[
0,
0,
4.0730676
]
] |
[
1,
1,
1
] |
[
true,
true,
true
] |
[
"carbon_x_1"
] | null | null | null | null |
7995733586972824294303246760868608069400910379198286448268328150765422420765608276652081443980965385673435494226192053153623709971093652540059796445874614
|
[
[
0.28259338,
0,
0
],
[
2.13209566,
2.0365338,
2.0365338
],
[
1.9270741,
0,
2.0365338
],
[
1.9270741,
2.0365338,
0
],
[
0.09494162,
2.0365338,
2.0365338
]
] |
CO_4108144258403606379521707
|
4108144258403606379521707516503354691081968353252018637701950708335549678274820176022369345960823266841970218144797332348333074903964928451909254166269847
| 2025-07-03T20:02:02
| null |
BFLiNO
|
BFLiNO
|
ABCDE
|
[
"B",
"F",
"Li",
"N",
"O"
] |
[
0.2,
0.2,
0.2,
0.2,
0.2
] |
[
3,
5,
7,
8,
9
] | 5
| 5
| 3
|
[
[
3.65806435,
0,
2.2399183986512715e-16
],
[
5.882616135209642e-16,
3.65806435,
2.2399183986512715e-16
],
[
0,
0,
3.65806435
]
] |
[
1,
1,
1
] |
[
true,
true,
true
] |
[
"carbon_x_2"
] | null | null | null | null |
3907107460646516690609964555263827949211631416426041865459212980589918357976021938626059507458410052437393801870855214790456748080444379883171047818398373
|
[
[
1.84940518,
1.82903218,
1.82903218
],
[
0.00055815,
0,
0
],
[
1.8267814,
1.82903218,
0
],
[
0.01810713,
1.82903218,
1.82903218
],
[
1.82878123,
0,
1.82903218
]
] |
CO_1175097840534293046405297
|
11750978405342930464052976570173696905477918145928768895971988948170038062659726170152167440597876123909878937439350214324514421320804201170587911222554875
| 2025-07-03T20:02:02
| null |
BFLiNO
|
BFLiNO
|
ABCDE
|
[
"B",
"F",
"Li",
"N",
"O"
] |
[
0.2,
0.2,
0.2,
0.2,
0.2
] |
[
3,
5,
7,
8,
9
] | 5
| 5
| 3
|
[
[
3.5101234,
0,
2.1493306932111122e-16
],
[
5.644708942699963e-16,
3.5101234,
2.1493306932111122e-16
],
[
0,
0,
3.5101234
]
] |
[
1,
1,
1
] |
[
true,
true,
true
] |
[
"carbon_x_3"
] | null | null | null | null |
13389654472240465683540813106558146025883696343785215503005400965526587085584180997096956686732647586837358379848688904480006232251977719908838605182184247
|
[
[
0.14089467,
0,
0
],
[
1.99812051,
1.7550617,
1.7550617
],
[
1.68979945,
1.7550617,
3.5101234
],
[
3.39165143,
1.7550617,
1.7550617
],
[
1.58463113,
0,
1.7550617
]
] |
CO_1293296980705367915213813
|
12932969807053679152138131599122529080355485167921318281270254386575410513452351039244297363021792821863421369064792808235361303858352322006641259532043253
| 2025-07-03T20:02:02
| null |
BaFO2V
|
BaFO2V
|
A2BCD
|
[
"Ba",
"F",
"O",
"V"
] |
[
0.2,
0.2,
0.4,
0.2
] |
[
56,
23,
8,
8,
9
] | 5
| 4
| 3
|
[
[
4.17407051,
0,
2.55588104474343e-16
],
[
6.712417328478309e-16,
4.17407051,
2.55588104474343e-16
],
[
0,
0,
4.17407051
]
] |
[
1,
1,
1
] |
[
true,
true,
true
] |
[
"carbon_x_4"
] | null | null | null | null |
4364211091842079842556448212458476094600959944902598808969102496091997631106036703331348404917803553546120335525023336342383594609134771066003319137634315
|
[
[
0.00844844,
0,
0
],
[
2.09569136,
2.08703525,
2.08703526
],
[
2.09283588,
2.08703525,
4.17407051
],
[
0.01613566,
2.08703525,
2.08703525
],
[
2.08995978,
0,
2.08703525
]
] |
CO_1236204072906525716960625
|
12362040729065257169606257838954165635626681314041874976656179148041674632770786903208406225510359672958925470378537103092230600237462289972633685068277652
| 2025-07-03T20:02:02
| null |
BaFO2V
|
BaFO2V
|
A2BCD
|
[
"Ba",
"F",
"O",
"V"
] |
[
0.2,
0.2,
0.4,
0.2
] |
[
56,
23,
8,
8,
9
] | 5
| 4
| 3
|
[
[
4.88712426,
0,
2.9925005410221887e-16
],
[
7.859095214290171e-16,
4.88712426,
2.9925005410221887e-16
],
[
0,
0,
4.88712426
]
] |
[
1,
1,
1
] |
[
true,
true,
true
] |
[
"carbon_x_5"
] | null | null | null | null |
10407862784955265512725282253197620131844656523138257604793733020946551999654211503312965476827328798984875811843062437307966479496965889757434988905576090
|
[
[
2.46819881,
2.44356213,
2.44356213
],
[
0.00253593,
0,
0
],
[
2.44390755,
2.44356213,
0
],
[
0.02153961,
2.44356213,
2.44356213
],
[
2.44204404,
0,
2.44356213
]
] |
CO_9607778495980174333482387
|
9607778495980174333482387487986357770981190725983367156860523483953882633892597792553513189242316779882504915472522127293365285269706279608305445378025443
| 2025-07-03T20:02:02
| null |
BaCdN3
|
BaCdN3
|
A3BC
|
[
"Ba",
"Cd",
"N"
] |
[
0.2,
0.2,
0.6
] |
[
56,
48,
7,
7,
7
] | 5
| 3
| 3
|
[
[
4.55208367,
0,
2.787347347958218e-16
],
[
7.320308852950147e-16,
4.55208367,
2.787347347958218e-16
],
[
0,
0,
4.55208367
]
] |
[
1,
1,
1
] |
[
true,
true,
true
] |
[
"carbon_x_6"
] | null | null | null | null |
13153431913249405281693917032284293281337738122659704793105499697891603336849929889069387745261032416642395325929725138606058699121778779601751907375057177
|
[
[
2.29443075,
2.27604184,
2.27604184
],
[
0.00129448,
0,
4.55208367
],
[
2.27834815,
0,
2.27604184
],
[
2.27834815,
2.27604184,
0
],
[
0.01922632,
2.27604184,
2.27604184
]
] |
CO_1134616417698367549494928
|
11346164176983675494949289878135753311656779840308488318247567673434670950315420801291503373510362094680493081865999833391801718214324449656834845303037388
| 2025-07-03T20:02:02
| null |
BaCdN3
|
BaCdN3
|
A3BC
|
[
"Ba",
"Cd",
"N"
] |
[
0.2,
0.2,
0.6
] |
[
56,
48,
7,
7,
7
] | 5
| 3
| 3
|
[
[
4.46912051,
0,
2.7365470637876435e-16
],
[
7.1868939162654e-16,
4.46912051,
2.7365470637876435e-16
],
[
0,
0,
4.46912051
]
] |
[
1,
1,
1
] |
[
true,
true,
true
] |
[
"carbon_x_7"
] | null | null | null | null |
9019740964696351859254080865695100101247162625683933707840383374724257136991315028049626657564619401735171915232966340404880066931091328551571319232376252
|
[
[
0.01007854,
0,
4.46912051
],
[
2.23991735,
2.23456025,
2.23456026
],
[
2.23326796,
0,
2.23456025
],
[
2.23326796,
2.23456025,
4.46912051
],
[
0.00521542,
2.23456025,
2.23456025
]
] |
CO_6790527441826520971599160
|
6790527441826520971599160781126106853605484370430396886721326128196282374560183551348241457729174782445062137822321001998021832447425820048563003022223764
| 2025-07-03T20:02:02
| null |
FeKNO2
|
FeKNO2
|
A2BCD
|
[
"Fe",
"K",
"N",
"O"
] |
[
0.2,
0.2,
0.2,
0.4
] |
[
19,
26,
7,
8,
8
] | 5
| 4
| 3
|
[
[
4.25094588,
0,
2.602953632645314e-16
],
[
6.83604235217758e-16,
4.25094588,
2.602953632645314e-16
],
[
0,
0,
4.25094588
]
] |
[
1,
1,
1
] |
[
true,
true,
true
] |
[
"carbon_x_8"
] | null | null | null | null |
5372461996541969239061980195660960450714557395660533792323907266031322708106397236574413020654404750032928110303940923124305668931343928637180614731228408
|
[
[
2.14498355,
2.12547294,
2.12547294
],
[
0.00138963,
0,
4.25094588
],
[
2.12611615,
0,
2.12547294
],
[
2.12433653,
2.12547294,
4.25094588
],
[
0.01892054,
2.12547294,
2.12547294
]
] |
CO_1056899611940350292208742
|
10568996119403502922087420137020816879223385295583037010939901065658959199416224470410979911664881856565434293835388992173700988153833912115828353544333461
| 2025-07-03T20:02:02
| null |
FeKNO2
|
FeKNO2
|
A2BCD
|
[
"Fe",
"K",
"N",
"O"
] |
[
0.2,
0.2,
0.2,
0.4
] |
[
19,
26,
7,
8,
8
] | 5
| 4
| 3
|
[
[
3.90203646,
0,
2.3893082304476345e-16
],
[
6.274953211190042e-16,
3.90203646,
2.3893082304476345e-16
],
[
0,
0,
3.90203646
]
] |
[
1,
1,
1
] |
[
true,
true,
true
] |
[
"carbon_x_9"
] | null | null | null | null |
1379661890726673487799268692839518551587974537728612115406455115095777932320300179636388546881116768226943732823397317512640456965920215015627652722677655
|
[
[
0.00666132,
0,
3.90203646
],
[
1.98776546,
1.95101823,
1.95101823
],
[
1.94256677,
0,
1.95101823
],
[
1.95216352,
1.95101823,
3.90203646
],
[
3.90146228,
1.95101823,
1.95101823
]
] |
CO_4564168771790701437237540
|
4564168771790701437237540866393136946942416132220768247180652247995667113574166696139951923877090962030623613674639492304520543541540338915849417401201312
| 2025-07-03T20:02:02
| null |
CuMoN2O
|
CuMoN2O
|
A2BCD
|
[
"Cu",
"Mo",
"N",
"O"
] |
[
0.2,
0.2,
0.4,
0.2
] |
[
29,
42,
7,
7,
8
] | 5
| 4
| 3
|
[
[
3.78982913,
0,
2.3206010566849493e-16
],
[
6.094510062357302e-16,
3.78982913,
2.3206010566849493e-16
],
[
0,
0,
3.78982913
]
] |
[
1,
1,
1
] |
[
true,
true,
true
] |
[
"carbon_x_10"
] | null | null | null | null |
2766777756892435563407589950977022715769760103341878612192213263413876967477282764416691998592540805428702918797329831526452847286450623018678780991658909
|
[
[
1.8575038,
1.89491457,
1.89491457
],
[
0.53850338,
0,
3.78982913
],
[
1.57051008,
0,
1.89491456
],
[
1.57051008,
1.89491457,
0
],
[
3.69054986,
1.89491457,
1.89491457
]
] |
CO_8675392914823512023470291
|
8675392914823512023470291895851307387310493557949907623812584888114780185029337276129062044342408835604142275190774055827030060797561379401854183341018862
| 2025-07-03T20:02:02
| null |
CuMoN2O
|
CuMoN2O
|
A2BCD
|
[
"Cu",
"Mo",
"N",
"O"
] |
[
0.2,
0.2,
0.4,
0.2
] |
[
29,
42,
7,
7,
8
] | 5
| 4
| 3
|
[
[
4.02046503,
0,
2.461824815036684e-16
],
[
6.465400876975858e-16,
4.02046503,
2.461824815036684e-16
],
[
0,
0,
4.02046503
]
] |
[
1,
1,
1
] |
[
true,
true,
true
] |
[
"carbon_x_11"
] | null | null | null | null |
10052636130296266963735459175721674982277890222987494265933752675920439618564610310531556299677808760657971513221514237621748155795329005725369404926569889
|
[
[
1.3058657,
0,
4.02046503
],
[
1.98954485,
2.01023252,
2.01023252
],
[
1.70489528,
0,
2.01023252
],
[
1.70489528,
2.01023252,
4.02046503
],
[
3.80731473,
2.01023252,
2.01023252
]
] |
CO_1207525766686960056707963
|
12075257666869600567079637140860798223076891440749708568209951706709951297929275291118012064400751399641903720146989749738911743757848589712307528193326335
| 2025-07-03T20:02:02
| null |
FeO3Si
|
FeO3Si
|
A3BC
|
[
"Fe",
"O",
"Si"
] |
[
0.2,
0.6,
0.2
] |
[
26,
14,
8,
8,
8
] | 5
| 3
| 3
|
[
[
3.55733486,
0,
2.178239374897149e-16
],
[
5.720630760850266e-16,
3.55733486,
2.178239374897149e-16
],
[
0,
0,
3.55733486
]
] |
[
1,
1,
1
] |
[
true,
true,
true
] |
[
"carbon_x_12"
] | null | null | null | null |
11162122266774741321253431673922289932157197085942467031489778692089933823792793683381458695692842471023772223965321114068768378010816931308316702867630157
|
[
[
0.00632903,
0,
0
],
[
1.78496498,
1.77866743,
1.77866743
],
[
1.78473347,
0,
1.77866743
],
[
1.78473347,
1.77866743,
3.55733486
],
[
0.00638737,
1.77866743,
1.77866743
]
] |
CO_4680780574000714914603383
|
4680780574000714914603383979814993355502664872803855840391862869875232198279691104063766688502915871439228802121214044274987823921712635428553102019046329
| 2025-07-03T20:02:02
| null |
FeO3Si
|
FeO3Si
|
A3BC
|
[
"Fe",
"O",
"Si"
] |
[
0.2,
0.6,
0.2
] |
[
26,
14,
8,
8,
8
] | 5
| 3
| 3
|
[
[
3.78897795,
0,
2.3200798592537e-16
],
[
6.093141260520349e-16,
3.78897795,
2.3200798592537e-16
],
[
0,
0,
3.78897795
]
] |
[
1,
1,
1
] |
[
true,
true,
true
] |
[
"carbon_x_13"
] | null | null | null | null |
11706018707973395241035704591244466788306801137928875767764140683612729631901263065600632796616686684385812507632131340149938837579911717562958081934794132
|
[
[
1.90406925,
1.89448898,
1.89448898
],
[
0.64597864,
0,
0
],
[
1.55665161,
0,
1.89448898
],
[
1.55665161,
1.89448898,
3.78897795
],
[
3.67715062,
1.89448898,
1.89448898
]
] |
CO_8741986106975647805642202
|
8741986106975647805642202721976856389021189497392658773344991373605254747954306924636518643511177046593901264345307624288380580801588720435114860606138667
| 2025-07-03T20:02:02
| null |
FO2RbSn
|
FO2RbSn
|
A2BCD
|
[
"F",
"O",
"Rb",
"Sn"
] |
[
0.2,
0.4,
0.2,
0.2
] |
[
37,
50,
8,
8,
9
] | 5
| 4
| 3
|
[
[
4.61125059,
0,
2.823576637554922e-16
],
[
7.415456517113752e-16,
4.61125059,
2.823576637554922e-16
],
[
0,
0,
4.61125059
]
] |
[
1,
1,
1
] |
[
true,
true,
true
] |
[
"carbon_x_14"
] | null | null | null | null |
8106405502220777171832886765570529796447965341539280306408400787666479252614295997510941352367237581800791756197248390890611450686772544345562169637628609
|
[
[
2.335072,
2.3056253,
2.3056253
],
[
0.00215258,
0,
0
],
[
2.30619691,
2.3056253,
0
],
[
0.01870452,
2.3056253,
2.3056253
],
[
2.30288824,
0,
2.3056253
]
] |
CO_1161173588058019140116270
|
11611735880580191401162706868301135367332671226970691829066750758930890893016474410308803285606415185708893266460947510877259422788476867626448515741086072
| 2025-07-03T20:02:02
| null |
FO2RbSn
|
FO2RbSn
|
A2BCD
|
[
"F",
"O",
"Rb",
"Sn"
] |
[
0.2,
0.4,
0.2,
0.2
] |
[
37,
50,
8,
8,
9
] | 5
| 4
| 3
|
[
[
4.29109929,
0,
2.6275405051609897e-16
],
[
6.900613960260333e-16,
4.29109929,
2.6275405051609897e-16
],
[
0,
0,
4.29109929
]
] |
[
1,
1,
1
] |
[
true,
true,
true
] |
[
"carbon_x_15"
] | null | null | null | null |
1637938482683059741537767218059250047536099835128756010525343684931604759778943034824880269404090300064980371402131178611376822045965263492710877798775088
|
[
[
0.00429209,
0,
4.29109929
],
[
2.16411556,
2.14554965,
2.14554965
],
[
2.14577561,
2.14554965,
4.29109929
],
[
0.01738427,
2.14554965,
2.14554965
],
[
2.14457033,
0,
2.14554965
]
] |
CO_1144052809919189650370598
|
11440528099191896503705987815471877751458664419817853498473682930012134555274555929512538945757225987741076777240444490874233424009121539126806285775388663
| 2025-07-03T20:02:02
| null |
NO2PdTa
|
NO2PdTa
|
A2BCD
|
[
"N",
"O",
"Pd",
"Ta"
] |
[
0.2,
0.4,
0.2,
0.2
] |
[
73,
46,
7,
8,
8
] | 5
| 4
| 3
|
[
[
4.02895614,
0,
2.467024120378038e-16
],
[
6.479055623287753e-16,
4.02895614,
2.467024120378038e-16
],
[
0,
0,
4.02895614
]
] |
[
1,
1,
1
] |
[
true,
true,
true
] |
[
"carbon_x_16"
] | null | null | null | null |
876869487453972235119357783001545497620612775420586254297822291706478450786577408157307608679849346918537665982076788591593829699398185828907090245408122
|
[
[
0.24184752,
0,
4.02895614
],
[
1.5093485,
2.01447807,
2.01447807
],
[
1.02562912,
0,
2.01447807
],
[
1.00563124,
2.01447807,
0
],
[
3.48189529,
2.01447807,
2.01447807
]
] |
CO_1078159011625615102267070
|
10781590116256151022670703457963566171045194126441864390081543298084079212946760626820986625502090448453674384955596830481658917179014796276208907812891546
| 2025-07-03T20:02:02
| null |
NO2PdTa
|
NO2PdTa
|
A2BCD
|
[
"N",
"O",
"Pd",
"Ta"
] |
[
0.2,
0.4,
0.2,
0.2
] |
[
73,
46,
7,
8,
8
] | 5
| 4
| 3
|
[
[
4.12224372,
0,
2.5241462885016394e-16
],
[
6.629073493619274e-16,
4.12224372,
2.5241462885016394e-16
],
[
0,
0,
4.12224372
]
] |
[
1,
1,
1
] |
[
true,
true,
true
] |
[
"carbon_x_17"
] | null | null | null | null |
2351909974649308275077754298514531917469552336360453271301512798350832400936348793906019766385535332441738747897797401522131615653863309396669295633051467
|
[
[
1.67078755,
2.06112186,
2.06112186
],
[
0.75776716,
0,
0
],
[
1.30826235,
0,
2.06112186
],
[
1.39725471,
2.06112186,
0
],
[
3.5709804,
2.06112186,
2.06112186
]
] |
CO_2748012763896765534567960
|
2748012763896765534567960691847233347228516744309477700097348610821903947037423133543698268484999829542958532217813820137962550218800274864166762453958411
| 2025-07-03T20:02:02
| null |
LiNbO3
|
LiNbO3
|
A3BC
|
[
"Li",
"Nb",
"O"
] |
[
0.2,
0.2,
0.6
] |
[
3,
41,
8,
8,
8
] | 5
| 3
| 3
|
[
[
4.03560116,
0,
2.4710930216146726e-16
],
[
6.489741630457306e-16,
4.03560116,
2.4710930216146726e-16
],
[
0,
0,
4.03560116
]
] |
[
1,
1,
1
] |
[
true,
true,
true
] |
[
"carbon_x_18"
] | null | null | null | null |
4436568382855444336483984297755607368734590333227220369228783043170337855059347694170532354563856703036600686300751237520456605633568075832818092583149809
|
[
[
0.00311109,
0,
4.03560116
],
[
2.05301035,
2.01780058,
2.01780058
],
[
2.01547103,
0,
2.01780058
],
[
2.01547103,
2.01780058,
4.03560116
],
[
0.00771002,
2.01780058,
2.01780058
]
] |
CO_5661713160066246938934079
|
5661713160066246938934079717890363631092282908589130033674460971027154841838835501051847140648648270557464267751561970284362700704554663253794589511619633
| 2025-07-03T20:02:02
| null |
LiNbO3
|
LiNbO3
|
A3BC
|
[
"Li",
"Nb",
"O"
] |
[
0.2,
0.2,
0.6
] |
[
3,
41,
8,
8,
8
] | 5
| 3
| 3
|
[
[
3.48939232,
0,
2.1366365678286784e-16
],
[
5.611370823399705e-16,
3.48939232,
2.1366365678286784e-16
],
[
0,
0,
3.48939232
]
] |
[
1,
1,
1
] |
[
true,
true,
true
] |
[
"carbon_x_19"
] | null | null | null | null |
11287750561797663799591778777492939972418824268459219542216578296045063225124445161115256094172691316582075334791253414196628347027122017334784766681150582
|
[
[
1.75081753,
1.74469616,
1.74469616
],
[
0.00435117,
0,
0
],
[
1.75150836,
0,
1.74469616
],
[
1.75150836,
1.74469616,
3.48939232
],
[
0.00675142,
1.74469616,
1.74469616
]
] |
CO_7277816918998293992330237
|
7277816918998293992330237447533626470757190938705780542422688768853970360883499996663412988148422464119385448870751825500626185061363354020071973254558105
| 2025-07-03T20:02:02
| null |
NO2OsRe
|
NO2OsRe
|
A2BCD
|
[
"N",
"O",
"Os",
"Re"
] |
[
0.2,
0.4,
0.2,
0.2
] |
[
75,
76,
7,
8,
8
] | 5
| 4
| 3
|
[
[
3.94599939,
0,
2.416227761200454e-16
],
[
6.34565099466919e-16,
3.94599939,
2.416227761200454e-16
],
[
0,
0,
3.94599939
]
] |
[
1,
1,
1
] |
[
true,
true,
true
] |
[
"carbon_x_20"
] | null | null | null | null |
8807685244685995599969551809723528083365466616745725640225448341343812236663450658052509013923342543358732163196985896993569881243770573578477594076879129
|
[
[
0.00421153,
0,
3.94599939
],
[
1.98389669,
1.97299969,
1.9729997
],
[
1.98471091,
0,
1.9729997
],
[
1.97138097,
1.97299969,
3.94599939
],
[
0.01029223,
1.97299969,
1.9729997
]
] |
CO_3688022766912335936072141
|
3688022766912335936072141089063405327035091264166744792627975966822286760408717529714564205476790934949466755776641348007631386979954973620434965310895539
| 2025-07-03T20:02:02
| null |
NO2OsRe
|
NO2OsRe
|
A2BCD
|
[
"N",
"O",
"Os",
"Re"
] |
[
0.2,
0.4,
0.2,
0.2
] |
[
75,
76,
7,
8,
8
] | 5
| 4
| 3
|
[
[
3.89773086,
0,
2.38667181081843e-16
],
[
6.268029278309594e-16,
3.89773086,
2.38667181081843e-16
],
[
0,
0,
3.89773086
]
] |
[
1,
1,
1
] |
[
true,
true,
true
] |
[
"carbon_x_21"
] | null | null | null | null |
13352539179183959602922522696343689669239171450595887864556697236004776077698452966723092132384468067106143311561802807380184604313289960353824329157475546
|
[
[
1.95784732,
1.94886543,
1.94886543
],
[
3.89688844,
0,
0
],
[
1.96086915,
0,
1.94886543
],
[
1.95691202,
1.94886543,
0
],
[
0.00828521,
1.94886543,
1.94886543
]
] |
CO_1008277766943396954252023
|
10082777669433969542520233832336521405464917611649185989332059844434541309294735720595026612025332909287409745959161388844281559073072440678150631276258888
| 2025-07-03T20:02:02
| null |
AgNO2Sn
|
AgNO2Sn
|
A2BCD
|
[
"Ag",
"N",
"O",
"Sn"
] |
[
0.2,
0.2,
0.4,
0.2
] |
[
47,
50,
7,
8,
8
] | 5
| 4
| 3
|
[
[
4.21243842,
0,
2.5793746138291667e-16
],
[
6.774117633570063e-16,
4.21243842,
2.5793746138291667e-16
],
[
0,
0,
4.21243842
]
] |
[
1,
1,
1
] |
[
true,
true,
true
] |
[
"carbon_x_22"
] | null | null | null | null |
159236742556858063616277362190500533091572378857943644616207213205936863726111519738343798718356602222002815886276754088602543212279946095621677431496038
|
[
[
4.14911818,
0,
0
],
[
1.06356597,
2.10621921,
2.10621921
],
[
0.58412708,
0,
2.10621921
],
[
0.72302453,
2.10621921,
4.21243842
],
[
3.07555972,
2.10621921,
2.10621921
]
] |
CO_1321290315543128295048640
|
13212903155431282950486404508342544311716499359141500796119323683915389928972478151644869157988787877717955350042896427422315314337681114183119898900315800
| 2025-07-03T20:02:02
| null |
AgNO2Sn
|
AgNO2Sn
|
A2BCD
|
[
"Ag",
"N",
"O",
"Sn"
] |
[
0.2,
0.2,
0.4,
0.2
] |
[
47,
50,
7,
8,
8
] | 5
| 4
| 3
|
[
[
4.17125204,
0,
2.5541552296114337e-16
],
[
6.707884883033875e-16,
4.17125204,
2.5541552296114337e-16
],
[
0,
0,
4.17125204
]
] |
[
1,
1,
1
] |
[
true,
true,
true
] |
[
"carbon_x_23"
] | null | null | null | null |
6398789333111120105769149224722622686725299727717342275294042650385028386491657154165645117909458899544503173910863436179089729641315722153910645315360461
|
[
[
2.17723397,
2.08562602,
2.08562602
],
[
0.76867541,
0,
4.17125204
],
[
1.68463051,
0,
2.08562602
],
[
1.8482205,
2.08562602,
0
],
[
0.05478314,
2.08562602,
2.08562602
]
] |
CO_1257794673018852943520699
|
12577946730188529435206999609436977181376022517392249339637509385149760464109220059385758869761045316147449885130355809718982857415092397205820839288148300
| 2025-07-03T20:02:02
| null |
CaFO2Ti
|
CaFO2Ti
|
A2BCD
|
[
"Ca",
"F",
"O",
"Ti"
] |
[
0.2,
0.2,
0.4,
0.2
] |
[
20,
22,
8,
8,
9
] | 5
| 4
| 3
|
[
[
4.30062251,
0,
2.633371795606278e-16
],
[
6.915928466040187e-16,
4.30062251,
2.633371795606278e-16
],
[
0,
0,
4.30062251
]
] |
[
1,
1,
1
] |
[
true,
true,
true
] |
[
"carbon_x_24"
] | null | null | null | null |
8593843293811683127045480081772804111979524322026645214044904836332106903102257526156743679888718575945393901683631130944352556956164142253426938106420149
|
[
[
2.17380543,
2.15031126,
2.15031126
],
[
0.00151425,
0,
0
],
[
2.14966203,
2.15031126,
4.30062251
],
[
0.02026501,
2.15031126,
2.15031126
],
[
2.14986119,
0,
2.15031126
]
] |
CO_9968819276975087302377740
|
9968819276975087302377740840284583393820547946952997169575592070610255623468182407978724740388984563144537121614858187034028645502009858666925042134747623
| 2025-07-03T20:02:02
| null |
CaFO2Ti
|
CaFO2Ti
|
A2BCD
|
[
"Ca",
"F",
"O",
"Ti"
] |
[
0.2,
0.2,
0.4,
0.2
] |
[
20,
22,
8,
8,
9
] | 5
| 4
| 3
|
[
[
3.9502856,
0,
2.418852307878941e-16
],
[
6.352543746051461e-16,
3.9502856,
2.418852307878941e-16
],
[
0,
0,
3.9502856
]
] |
[
1,
1,
1
] |
[
true,
true,
true
] |
[
"carbon_x_25"
] | null | null | null | null |
12987636126985197485531243796549355378122671984933541070840264614495264227393262589559620442737852363434457936180293036927781059126926282386936629762997264
|
[
[
0.0186905,
0,
0
],
[
1.9830602,
1.9751428,
1.9751428
],
[
1.98755045,
1.9751428,
0
],
[
0.01010558,
1.9751428,
1.9751428
],
[
1.99852332,
0,
1.9751428
]
] |
CO_2225003999022549318986293
|
2225003999022549318986293646309791747911914846720332732986963539889509549705945283573743678431207848396179221148089507014814813852433569568652516514515529
| 2025-07-03T20:02:02
| null |
CaNbO3
|
CaNbO3
|
A3BC
|
[
"Ca",
"Nb",
"O"
] |
[
0.2,
0.2,
0.6
] |
[
20,
41,
8,
8,
8
] | 5
| 3
| 3
|
[
[
4.0900601,
0,
2.5044395048926515e-16
],
[
6.577318285348688e-16,
4.0900601,
2.5044395048926515e-16
],
[
0,
0,
4.0900601
]
] |
[
1,
1,
1
] |
[
true,
true,
true
] |
[
"carbon_x_26"
] | null | null | null | null |
7108102922806310116086835473112615235418782089715565650606041770160603616578478378573098254723911418913581481198084184001335863408178464575987119036513620
|
[
[
0.00394151,
0,
0
],
[
2.0541645,
2.04503005,
2.04503005
],
[
2.05826127,
0,
2.04503005
],
[
2.05826127,
2.04503005,
0
],
[
0.01017104,
2.04503005,
2.04503005
]
] |
CO_3404864611097768907516095
|
3404864611097768907516095792051667552669371701661776198643225944153732899592603727127253352813361728358092207230766201394798582001590553653946758373003091
| 2025-07-03T20:02:02
| null |
CaNbO3
|
CaNbO3
|
A3BC
|
[
"Ca",
"Nb",
"O"
] |
[
0.2,
0.2,
0.6
] |
[
20,
41,
8,
8,
8
] | 5
| 3
| 3
|
[
[
4.21020391,
0,
2.5780063710695854e-16
],
[
6.770524267428134e-16,
4.21020391,
2.5780063710695854e-16
],
[
0,
0,
4.21020391
]
] |
[
1,
1,
1
] |
[
true,
true,
true
] |
[
"carbon_x_27"
] | null | null | null | null |
10486487967575058666564843874283291123207788945131509295547010614279239146815640206686406600924813644977718566933493685379494618995010674727281515663677087
|
[
[
2.10837573,
2.10510195,
2.10510196
],
[
0.84154314,
0,
4.21020391
],
[
1.31669951,
0,
2.10510195
],
[
1.31669951,
2.10510195,
4.21020391
],
[
4.12171043,
2.10510195,
2.10510196
]
] |
CO_6120122549610783682646638
|
6120122549610783682646638591561770896535946043973107379319618212888764231548993773041866458663407696183818510753862993222717525345818300264329588044007412
| 2025-07-03T20:02:02
| null |
CuNbO3
|
CuNbO3
|
A3BC
|
[
"Cu",
"Nb",
"O"
] |
[
0.2,
0.2,
0.6
] |
[
41,
29,
8,
8,
8
] | 5
| 3
| 3
|
[
[
4.08111606,
0,
2.498962859913929e-16
],
[
6.562935172045075e-16,
4.08111606,
2.498962859913929e-16
],
[
0,
0,
4.08111606
]
] |
[
1,
1,
1
] |
[
true,
true,
true
] |
[
"carbon_x_28"
] | null | null | null | null |
6499522858963612500563472907235958627720529214936992436299721838128870295386730701774818167067604839174130891842348755240904445329421997638901922589516188
|
[
[
1.90894869,
2.04055803,
2.04055803
],
[
0.94926209,
0,
0
],
[
1.65425028,
0,
2.04055803
],
[
1.65425028,
2.04055803,
4.08111606
],
[
3.78956941,
2.04055803,
2.04055803
]
] |
CO_3988202905573894006789062
|
3988202905573894006789062248208943667597043625503401364283306674362685737912323556221013711070863412991810378930113290371670232950789028011314905102863610
| 2025-07-03T20:02:02
| null |
CuNbO3
|
CuNbO3
|
A3BC
|
[
"Cu",
"Nb",
"O"
] |
[
0.2,
0.2,
0.6
] |
[
41,
29,
8,
8,
8
] | 5
| 3
| 3
|
[
[
3.75826255,
0,
2.3012721011064347e-16
],
[
6.043747130086472e-16,
3.75826255,
2.3012721011064347e-16
],
[
0,
0,
3.75826255
]
] |
[
1,
1,
1
] |
[
true,
true,
true
] |
[
"carbon_x_29"
] | null | null | null | null |
5131411300483867439635871787793268626696748494531595457724643749680343183287234395294443280504426029937763427527423643512463637463711441218581231986805436
|
[
[
0.0068353,
0,
3.75826255
],
[
1.88323785,
1.87913127,
1.87913128
],
[
1.88679298,
0,
1.87913128
],
[
1.88679298,
1.87913127,
3.75826255
],
[
0.00571489,
1.87913127,
1.87913128
]
] |
CO_6515335174943438364541411
|
6515335174943438364541411754861594676649061999651520318439787684970898201423867565663661856676710585447013327318689517503779177458648632067033064356481879
| 2025-07-03T20:02:02
| null |
CoFO2Pt
|
CoFO2Pt
|
A2BCD
|
[
"Co",
"F",
"O",
"Pt"
] |
[
0.2,
0.2,
0.4,
0.2
] |
[
27,
78,
8,
8,
9
] | 5
| 4
| 3
|
[
[
4.12555411,
0,
2.526173317760354e-16
],
[
6.634397006757538e-16,
4.12555411,
2.526173317760354e-16
],
[
0,
0,
4.12555411
]
] |
[
1,
1,
1
] |
[
true,
true,
true
] |
[
"carbon_x_30"
] | null | null | null | null |
4154645571216707469994421805446985184054440446790819233866332518505545734208824234758042215070859283246830836135261823153761736180852208907185566727011993
|
[
[
0.00205234,
0,
4.12555411
],
[
2.08877766,
2.06277706,
2.06277706
],
[
2.05872737,
2.06277706,
0
],
[
0.02203669,
2.06277706,
2.06277706
],
[
2.06311754,
0,
2.06277706
]
] |
CO_3345160357469790326222359
|
3345160357469790326222359365315797138212031959227145253867608969416966244113655332701577858852951495937840605780791707908639455110004666873424163071583579
| 2025-07-03T20:02:02
| null |
CoFO2Pt
|
CoFO2Pt
|
A2BCD
|
[
"Co",
"F",
"O",
"Pt"
] |
[
0.2,
0.2,
0.4,
0.2
] |
[
27,
78,
8,
8,
9
] | 5
| 4
| 3
|
[
[
3.87848726,
0,
2.3748885042463944e-16
],
[
6.237083209288277e-16,
3.87848726,
2.3748885042463944e-16
],
[
0,
0,
3.87848726
]
] |
[
1,
1,
1
] |
[
true,
true,
true
] |
[
"carbon_x_31"
] | null | null | null | null |
6535702700601255263666256998301587769413046943364734460439278542595044011589320262791838599250868999700244548884243693768570021822793790208356992366731845
|
[
[
1.95292713,
1.93924363,
1.93924363
],
[
0.00387387,
0,
3.87848726
],
[
1.94006079,
1.93924363,
0
],
[
0.01446269,
1.93924363,
1.93924363
],
[
1.93799953,
0,
1.93924363
]
] |
CO_9608241555302035687254773
|
9608241555302035687254773386836221761842953760612153685894792835996905202203948469350886534878852648823285664539690252433623918763941221174677158035313462
| 2025-07-03T20:02:02
| null |
NaO3Si
|
NaO3Si
|
A3BC
|
[
"Na",
"O",
"Si"
] |
[
0.2,
0.6,
0.2
] |
[
11,
14,
8,
8,
8
] | 5
| 3
| 3
|
[
[
3.57566111,
0,
2.189460966598586e-16
],
[
5.750101618558903e-16,
3.57566111,
2.189460966598586e-16
],
[
0,
0,
3.57566111
]
] |
[
1,
1,
1
] |
[
true,
true,
true
] |
[
"carbon_x_32"
] | null | null | null | null |
3199759989534716860608256774907884348754029530818437674398000233579072550794042159218373372187760545944389417983890292745297642851174600125338608196946469
|
[
[
0.00528486,
0,
3.57566111
],
[
1.79433107,
1.78783055,
1.78783056
],
[
1.7979938,
0,
1.78783055
],
[
1.7979938,
1.78783055,
0
],
[
0.00819159,
1.78783055,
1.78783055
]
] |
CO_9748430809114703757745833
|
9748430809114703757745833573423251430881864489840661084667942040450143101583926372875396590135521306363620593424098738617194953354126422350283679571756302
| 2025-07-03T20:02:02
| null |
NaO3Si
|
NaO3Si
|
A3BC
|
[
"Na",
"O",
"Si"
] |
[
0.2,
0.6,
0.2
] |
[
11,
14,
8,
8,
8
] | 5
| 3
| 3
|
[
[
4.03942311,
0,
2.473433291031674e-16
],
[
6.49588779481824e-16,
4.03942311,
2.473433291031674e-16
],
[
0,
0,
4.03942311
]
] |
[
1,
1,
1
] |
[
true,
true,
true
] |
[
"carbon_x_33"
] | null | null | null | null |
2004238002479752476291215894718009398335923724514318544721426561066942412874318277742185122950903074042704225630325707475245050462441824062810220844586111
|
[
[
2.827607,
2.01971156,
2.01971156
],
[
0.78455817,
0,
0
],
[
0.80028586,
0,
2.01971156
],
[
0.80028586,
2.01971156,
0
],
[
0.80829317,
2.01971156,
2.01971156
]
] |
CO_1311128468762378272949789
|
13111284687623782729497899413801280479376897554308415767446788019219459747574313913062194684818394546268921540152904912553814035789516490953565274014827110
| 2025-07-03T20:02:02
| null |
MnO3Pt
|
MnO3Pt
|
A3BC
|
[
"Mn",
"O",
"Pt"
] |
[
0.2,
0.6,
0.2
] |
[
25,
78,
8,
8,
8
] | 5
| 3
| 3
|
[
[
4.03825906,
0,
2.4727205159783993e-16
],
[
6.494015859647882e-16,
4.03825906,
2.4727205159783993e-16
],
[
0,
0,
4.03825906
]
] |
[
1,
1,
1
] |
[
true,
true,
true
] |
[
"carbon_x_34"
] | null | null | null | null |
1069116043242152528517842577845191283102815540760137139316341743042531068667677502508038059608690416617617098481649242173862088109642949194856935096566517
|
[
[
0.75366808,
0,
0
],
[
2.01256187,
2.01912953,
2.01912953
],
[
1.59318398,
0,
2.01912953
],
[
1.59318398,
2.01912953,
0
],
[
3.98900324,
2.01912953,
2.01912953
]
] |
CO_1301761170286386009918786
|
13017611702863860099187865661056791495987806869936641514001847936582429076268605648617862685880876008187582860813693641401904365866540225302426812904940468
| 2025-07-03T20:02:02
| null |
MnO3Pt
|
MnO3Pt
|
A3BC
|
[
"Mn",
"O",
"Pt"
] |
[
0.2,
0.6,
0.2
] |
[
25,
78,
8,
8,
8
] | 5
| 3
| 3
|
[
[
3.73722743,
0,
2.2883918049175946e-16
],
[
6.009920077175806e-16,
3.73722743,
2.2883918049175946e-16
],
[
0,
0,
3.73722743
]
] |
[
1,
1,
1
] |
[
true,
true,
true
] |
[
"carbon_x_35"
] | null | null | null | null |
11232868111248843036766212787677932715672657261953166997747258763036754910228744696282805599762702625933548398016979194974459163104634255124969560730515571
|
[
[
1.8801012,
1.86861371,
1.86861371
],
[
0.0103322,
0,
3.73722743
],
[
1.87070765,
0,
1.86861372
],
[
1.87070765,
1.86861371,
3.73722743
],
[
0.00750637,
1.86861371,
1.86861372
]
] |
CO_2624130486416300482163375
|
2624130486416300482163375763063521755276409853636614934931487195006090731283934611540990155454028507458281156988729088788791993546099925682098399959554339
| 2025-07-03T20:02:02
| null |
InO3Ti
|
InO3Ti
|
A3BC
|
[
"In",
"O",
"Ti"
] |
[
0.2,
0.6,
0.2
] |
[
22,
49,
8,
8,
8
] | 5
| 3
| 3
|
[
[
3.93268268,
0,
2.4080736280621174e-16
],
[
6.324236091699016e-16,
3.93268268,
2.4080736280621174e-16
],
[
0,
0,
3.93268268
]
] |
[
1,
1,
1
] |
[
true,
true,
true
] |
[
"carbon_x_36"
] | null | null | null | null |
6921812684108439216589544023678906649081512663600188346652621170933899565665595971158271109514999668827151738075800370126369064807973826169686830988941621
|
[
[
1.97113048,
1.96634134,
1.96634134
],
[
0.29103075,
0,
3.93268268
],
[
1.64617661,
0,
1.96634134
],
[
1.64617661,
1.96634134,
0
],
[
3.73558559,
1.96634134,
1.96634134
]
] |
CO_1043876657552353187615276
|
10438766575523531876152764330320472771467361351147522378834597210494294059213234867947527653834120268926067968572284984590723543765853170327950625294293349
| 2025-07-03T20:02:02
| null |
InO3Ti
|
InO3Ti
|
A3BC
|
[
"In",
"O",
"Ti"
] |
[
0.2,
0.6,
0.2
] |
[
22,
49,
8,
8,
8
] | 5
| 3
| 3
|
[
[
4.1325135,
0,
2.530434715104113e-16
],
[
6.645588559444471e-16,
4.1325135,
2.530434715104113e-16
],
[
0,
0,
4.1325135
]
] |
[
1,
1,
1
] |
[
true,
true,
true
] |
[
"carbon_x_37"
] | null | null | null | null |
2314844646001548788620074877572518060525916660865119705387959195562717782531039164382031903434597532632121625646624481841100766942661286876730012379022462
|
[
[
0.00213329,
0,
0
],
[
2.08940949,
2.06625675,
2.06625675
],
[
2.06559323,
0,
2.06625675
],
[
2.06559323,
2.06625675,
0
],
[
0.0195017,
2.06625675,
2.06625675
]
] |
CO_1239052816928866257311627
|
12390528169288662573116271836524375755479694293189806259360034157913460334561831226493817322904778508439718634252560332447215227287603663179355479346496282
| 2025-07-03T20:02:02
| null |
AsFNOPt
|
AsFNOPt
|
ABCDE
|
[
"As",
"F",
"N",
"O",
"Pt"
] |
[
0.2,
0.2,
0.2,
0.2,
0.2
] |
[
33,
78,
7,
8,
9
] | 5
| 5
| 3
|
[
[
4.10081941,
0,
2.5110276821689187e-16
],
[
6.59462057545458e-16,
4.10081941,
2.5110276821689187e-16
],
[
0,
0,
4.10081941
]
] |
[
1,
1,
1
] |
[
true,
true,
true
] |
[
"carbon_x_38"
] | null | null | null | null |
10187065821885736495145000517007738601196781303650296430031164604866227009359789481978487419718338366026483073510791018948404589443703996461614102166589876
|
[
[
0.00399395,
0,
4.10081941
],
[
2.07381161,
2.0504097,
2.05040971
],
[
2.04978351,
2.0504097,
0
],
[
0.02086759,
2.0504097,
2.0504097
],
[
2.05154871,
0,
2.0504097
]
] |
CO_9716113054296556958594226
|
9716113054296556958594226349822871930499211299259269236123996978572196558767831065120586356760387943445774856929669592130475117050271226430108629126148502
| 2025-07-03T20:02:02
| null |
AsFNOPt
|
AsFNOPt
|
ABCDE
|
[
"As",
"F",
"N",
"O",
"Pt"
] |
[
0.2,
0.2,
0.2,
0.2,
0.2
] |
[
33,
78,
7,
8,
9
] | 5
| 5
| 3
|
[
[
3.97005917,
0,
2.430960127483049e-16
],
[
6.384342071833428e-16,
3.97005917,
2.430960127483049e-16
],
[
0,
0,
3.97005917
]
] |
[
1,
1,
1
] |
[
true,
true,
true
] |
[
"carbon_x_39"
] | null | null | null | null |
9732574825490859493989205329717075999726146210097374969535402895241079247737892166473166667801947647537921243308295881558291664269075140730582175036810367
|
[
[
2.02473018,
1.98502958,
1.98502959
],
[
0,
0,
0
],
[
1.98502959,
1.98502958,
3.97005917
],
[
0,
1.98502958,
1.98502959
],
[
1.98502958,
0,
1.98502959
]
] |
CO_8813807842630710568130325
|
8813807842630710568130325439689761566955785897392657165975581684021924054158100347281348143527860737686263977644395238429945345656350707183412279633013804
| 2025-07-03T20:02:02
| null |
FNNbORe
|
FNNbORe
|
ABCDE
|
[
"F",
"N",
"Nb",
"O",
"Re"
] |
[
0.2,
0.2,
0.2,
0.2,
0.2
] |
[
41,
75,
7,
8,
9
] | 5
| 5
| 3
|
[
[
4.17341556,
0,
2.555480003532879e-16
],
[
6.7113640885489025e-16,
4.17341556,
2.555480003532879e-16
],
[
0,
0,
4.17341556
]
] |
[
1,
1,
1
] |
[
true,
true,
true
] |
[
"carbon_x_40"
] | null | null | null | null |
10230448835777116690564990809770112830256069904228748152940621555989700705926422792185360273215171018321898582215264589799289833473593918847903584317722132
|
[
[
2.11343905,
2.08670778,
2.08670778
],
[
0.00082225,
0,
0
],
[
2.08306063,
2.08670778,
0
],
[
0.01883513,
2.08670778,
2.08670778
],
[
2.08549991,
0,
2.08670778
]
] |
CO_5645178641167826457372760
|
5645178641167826457372760525831007192629278428152776660939824531761622320078229186882844688601946489911614855148828915955696878043887444123543868334930498
| 2025-07-03T20:02:02
| null |
FNNbORe
|
FNNbORe
|
ABCDE
|
[
"F",
"N",
"Nb",
"O",
"Re"
] |
[
0.2,
0.2,
0.2,
0.2,
0.2
] |
[
41,
75,
7,
8,
9
] | 5
| 5
| 3
|
[
[
4.00084212,
0,
2.449809248075955e-16
],
[
6.433844830952291e-16,
4.00084212,
2.449809248075955e-16
],
[
0,
0,
4.00084212
]
] |
[
1,
1,
1
] |
[
true,
true,
true
] |
[
"carbon_x_41"
] | null | null | null | null |
6970923681771526730810731567373463624480946775951759485907985682338698879316742053554538622561842520359092514993234265150833349272743228724431054346795484
|
[
[
0.00004925,
0,
4.00084212
],
[
2.01863717,
2.00042106,
2.00042106
],
[
2.0045158,
2.00042106,
4.00084212
],
[
0.01991371,
2.00042106,
2.00042106
],
[
1.99886321,
0,
2.00042106
]
] |
CO_6630086221197003550887964
|
6630086221197003550887964201738537143588834846221274111495631934236687395560990714281068201324425139316321741683581229397088320033682706353817572008918547
| 2025-07-03T20:02:02
| null |
KN3Na
|
KN3Na
|
A3BC
|
[
"K",
"N",
"Na"
] |
[
0.2,
0.6,
0.2
] |
[
19,
11,
7,
7,
7
] | 5
| 3
| 3
|
[
[
4.62439608,
0,
2.831625928680784e-16
],
[
7.436596077323851e-16,
4.62439608,
2.831625928680784e-16
],
[
0,
0,
4.62439608
]
] |
[
1,
1,
1
] |
[
true,
true,
true
] |
[
"carbon_x_42"
] | null | null | null | null |
4886403640568366798719342127713900211542944934937530565414428424010076852712218577829110788555613076378574883045317808081088472953715146008894220586538946
|
[
[
0.00128507,
0,
0
],
[
2.33654997,
2.31219804,
2.31219804
],
[
2.31037381,
0,
2.31219804
],
[
2.31037381,
2.31219804,
0
],
[
0.02487356,
2.31219804,
2.31219804
]
] |
CO_6570143779082201242931442
|
6570143779082201242931442071957962926367650188142643545238119628802782756669215549589966095229032477918751189780494183063804689909030209213785376838038792
| 2025-07-03T20:02:02
| null |
KN3Na
|
KN3Na
|
A3BC
|
[
"K",
"N",
"Na"
] |
[
0.2,
0.6,
0.2
] |
[
19,
11,
7,
7,
7
] | 5
| 3
| 3
|
[
[
4.4713577,
0,
2.7379169475739357e-16
],
[
7.190491592176031e-16,
4.4713577,
2.7379169475739357e-16
],
[
0,
0,
4.4713577
]
] |
[
1,
1,
1
] |
[
true,
true,
true
] |
[
"carbon_x_43"
] | null | null | null | null |
9493205597777105368323557315961944154127022578520706727932481296276520844731828706716311499068735391253050959282039854368796491789604765249621622915638300
|
[
[
3.28383395,
2.23567885,
2.23567885
],
[
0.82677099,
0,
4.4713577
],
[
1.07951877,
0,
2.23567885
],
[
1.07951877,
2.23567885,
4.4713577
],
[
1.05393196,
2.23567885,
2.23567885
]
] |
CO_1884748126244703979511750
|
188474812624470397951175074847609061654019053878286678297602436128337636674343205193361164133337658348934568888751324254005197875917068138510884382269119
| 2025-07-03T20:02:02
| null |
MgNO2Zn
|
MgNO2Zn
|
A2BCD
|
[
"Mg",
"N",
"O",
"Zn"
] |
[
0.2,
0.2,
0.4,
0.2
] |
[
12,
30,
7,
8,
8
] | 5
| 4
| 3
|
[
[
3.91492779,
0,
2.397201893458261e-16
],
[
6.295684050947499e-16,
3.91492779,
2.397201893458261e-16
],
[
0,
0,
3.91492779
]
] |
[
1,
1,
1
] |
[
true,
true,
true
] |
[
"carbon_x_44"
] | null | null | null | null |
9512278950564599060289510663411884541546179888328056232317270205116935217442407727989869500366369149609719634607862083633990020389903616125439057269918583
|
[
[
1.97739859,
1.9574639,
1.9574639
],
[
0.00125806,
0,
3.91492779
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[
1.95673576,
0,
1.9574639
],
[
1.95807145,
1.9574639,
3.91492779
],
[
0.01740886,
1.9574639,
1.9574639
]
] |
CO_1301011279878504624367221
|
1301011279878504624367221670623151552443172785381175983903295141990446249503860520029690230974384615684831685633139452470305427869049398717662486238470566
| 2025-07-03T20:02:02
| null |
MgNO2Zn
|
MgNO2Zn
|
A2BCD
|
[
"Mg",
"N",
"O",
"Zn"
] |
[
0.2,
0.2,
0.4,
0.2
] |
[
12,
30,
7,
8,
8
] | 5
| 4
| 3
|
[
[
3.88683436,
0,
2.3799996288949754e-16
],
[
6.250506369857393e-16,
3.88683436,
2.3799996288949754e-16
],
[
0,
0,
3.88683436
]
] |
[
1,
1,
1
] |
[
true,
true,
true
] |
[
"carbon_x_45"
] | null | null | null | null |
7369039392634724063421954911923849201682043596731806972885625838008986688863937977938317211775522011065899009312188620511161698224182774560740053434394015
|
[
[
0.00630779,
0,
3.88683436
],
[
1.94970231,
1.94341718,
1.94341718
],
[
1.9460373,
0,
1.94341718
],
[
1.94943268,
1.94341718,
3.88683436
],
[
0.00676185,
1.94341718,
1.94341718
]
] |
CO_1288368950129821570885013
|
1288368950129821570885013040228610726555769360224091096220678746720119308216128933456367433562927335256332017476408764102082774881574686080656138595642449
| 2025-07-03T20:02:02
| null |
CaNO2Os
|
CaNO2Os
|
A2BCD
|
[
"Ca",
"N",
"O",
"Os"
] |
[
0.2,
0.2,
0.4,
0.2
] |
[
20,
76,
7,
8,
8
] | 5
| 4
| 3
|
[
[
4.12715144,
0,
2.5271514002961944e-16
],
[
6.636965709309544e-16,
4.12715144,
2.5271514002961944e-16
],
[
0,
0,
4.12715144
]
] |
[
1,
1,
1
] |
[
true,
true,
true
] |
[
"carbon_x_46"
] | null | null | null | null |
6819697386105419241178801141869249871069394996494264313883695182542181672763400200655889647108413572802101750409409584155369150850953905522469634011547871
|
[
[
2.16243313,
2.06357572,
2.06357572
],
[
0.68988811,
0,
4.12715144
],
[
0.62298022,
0,
2.06357572
],
[
1.40084088,
2.06357572,
0
],
[
0.05926482,
2.06357572,
2.06357572
]
] |
CO_5264738622940510445620775
|
5264738622940510445620775942392849418573090579072809155660130539405973769694037483400157329886413970614347129249018284459507486747597338502452745705236377
| 2025-07-03T20:02:02
| null |
CaNO2Os
|
CaNO2Os
|
A2BCD
|
[
"Ca",
"N",
"O",
"Os"
] |
[
0.2,
0.2,
0.4,
0.2
] |
[
20,
76,
7,
8,
8
] | 5
| 4
| 3
|
[
[
3.93928991,
0,
2.4121193895974823e-16
],
[
6.334861327913638e-16,
3.93928991,
2.4121193895974823e-16
],
[
0,
0,
3.93928991
]
] |
[
1,
1,
1
] |
[
true,
true,
true
] |
[
"carbon_x_47"
] | null | null | null | null |
3473728458100725060575233141635208029919733482228582375535820398260480661441963000915905681038712573316626607621745978078945259155722208908899789685641728
|
[
[
0.00651397,
0,
3.93928991
],
[
1.97518813,
1.96964495,
1.96964496
],
[
1.97753917,
0,
1.96964496
],
[
1.97328021,
1.96964495,
3.93928991
],
[
0.00641687,
1.96964495,
1.96964496
]
] |
CO_1136890618368714559156443
|
11368906183687145591564432539148188007656277097930017104954947939971754444258626611064308909584253577046013192716299255037270943440234829709300058031650679
| 2025-07-03T20:02:02
| null |
HgLiN2O
|
HgLiN2O
|
A2BCD
|
[
"Hg",
"Li",
"N",
"O"
] |
[
0.2,
0.2,
0.4,
0.2
] |
[
3,
80,
7,
7,
8
] | 5
| 4
| 3
|
[
[
3.92521579,
0,
2.403501476593075e-16
],
[
6.312228416767372e-16,
3.92521579,
2.403501476593075e-16
],
[
0,
0,
3.92521579
]
] |
[
1,
1,
1
] |
[
true,
true,
true
] |
[
"carbon_x_48"
] | null | null | null | null |
1433801060866324664022831009933592800709588746614543076159091322312354403123368596952240124006648280884985613277893982192109558250148508132781456960988701
|
[
[
1.98432827,
1.9626079,
1.9626079
],
[
0.00184214,
0,
0
],
[
1.96076563,
0,
1.9626079
],
[
1.96076563,
1.9626079,
3.92521579
],
[
0.0193691,
1.9626079,
1.9626079
]
] |
CO_8600471876351076538170864
|
8600471876351076538170864235074968927467687119993884986753088693678325726889405159928897436474316695707907597742069534901161842632720737450872626292649577
| 2025-07-03T20:02:02
| null |
HgLiN2O
|
HgLiN2O
|
A2BCD
|
[
"Hg",
"Li",
"N",
"O"
] |
[
0.2,
0.2,
0.4,
0.2
] |
[
3,
80,
7,
7,
8
] | 5
| 4
| 3
|
[
[
4.27405686,
0,
2.6171050264863937e-16
],
[
6.873207642571804e-16,
4.27405686,
2.6171050264863937e-16
],
[
0,
0,
4.27405686
]
] |
[
1,
1,
1
] |
[
true,
true,
true
] |
[
"carbon_x_49"
] | null | null | null | null |
7338969115217201557056600132225276871631868964133182914237234584704313770561499574413672548326431818266193508799093290376707823356189405063541697865465513
|
[
[
0.83875942,
0,
4.27405686
],
[
2.1675431,
2.13702843,
2.13702843
],
[
1.65031991,
0,
2.13702843
],
[
1.65031991,
2.13702843,
4.27405686
],
[
4.25309052,
2.13702843,
2.13702843
]
] |
CO_9117065204969585657168871
|
9117065204969585657168871747352988495390318523535574331627025594690435521517934512152028996922681609954287382906526346755889978345089439272001749644842703
| 2025-07-03T20:02:02
| null |
BFInNO
|
BFInNO
|
ABCDE
|
[
"B",
"F",
"In",
"N",
"O"
] |
[
0.2,
0.2,
0.2,
0.2,
0.2
] |
[
49,
5,
7,
8,
9
] | 5
| 5
| 3
|
[
[
4.33105704,
0,
2.6520075704803054e-16
],
[
6.96487092306545e-16,
4.33105704,
2.6520075704803054e-16
],
[
0,
0,
4.33105704
]
] |
[
1,
1,
1
] |
[
true,
true,
true
] |
[
"carbon_x_50"
] | null | null | null | null |
10179616383710850059740068960629854416209286043891607925033174270877983128484284028969226598781528009902136235543031712550506097035488904915874419964678710
|
[
[
2.16747871,
2.16552852,
2.16552852
],
[
0.00207566,
0,
0
],
[
2.16373416,
2.16552852,
0
],
[
0.0046147,
2.16552852,
2.16552852
],
[
2.16683581,
0,
2.16552852
]
] |
CO_1112833385060685202538606
|
11128333850606852025386061572681345309300468718059913412087886363217809838194713294394269399496635067990508406412467078620357775450655575843121068323362480
| 2025-07-03T20:02:02
| null |
BFInNO
|
BFInNO
|
ABCDE
|
[
"B",
"F",
"In",
"N",
"O"
] |
[
0.2,
0.2,
0.2,
0.2,
0.2
] |
[
49,
5,
7,
8,
9
] | 5
| 5
| 3
|
[
[
3.67286598,
0,
2.2489817830521034e-16
],
[
5.906418971664776e-16,
3.67286598,
2.2489817830521034e-16
],
[
0,
0,
3.67286598
]
] |
[
1,
1,
1
] |
[
true,
true,
true
] |
[
"carbon_x_51"
] | null | null | null | null |
1442054855738231369683663027564952961763716052750235704465927577755987577889528293151538808210206310488688243124059102593601356554309509644380292392150711
|
[
[
0.18188073,
0,
0
],
[
2.080258,
1.83643299,
1.83643299
],
[
1.58782756,
1.83643299,
0
],
[
3.45414281,
1.83643299,
1.83643299
],
[
1.74881101,
0,
1.83643299
]
] |
CO_6284443321150612420458051
|
6284443321150612420458051800322817736071010270839821035342568088448302099402397370895167078621882956423357299273935110233294112842940750498792944277027169
| 2025-07-03T20:02:02
| null |
FO2RbW
|
FO2RbW
|
A2BCD
|
[
"F",
"O",
"Rb",
"W"
] |
[
0.2,
0.4,
0.2,
0.2
] |
[
37,
74,
8,
8,
9
] | 5
| 4
| 3
|
[
[
4.17886089,
0,
2.55881430651028e-16
],
[
6.720120847056867e-16,
4.17886089,
2.55881430651028e-16
],
[
0,
0,
4.17886089
]
] |
[
1,
1,
1
] |
[
true,
true,
true
] |
[
"carbon_x_52"
] | null | null | null | null |
2542312171040900511475341040148868459780549849838277733740394625721792694540357667216695268908151258394318271508797330386204606384049571265624340983690207
|
[
[
0.00393962,
0,
4.17886089
],
[
2.10217204,
2.08943045,
2.08943045
],
[
2.09921224,
2.08943045,
0
],
[
0.01370391,
2.08943045,
2.08943045
],
[
2.09282151,
0,
2.08943045
]
] |
CO_7345353126371857080977784
|
7345353126371857080977784890669693302487246001826264276114594849817278496532473365717916313926676548494101304059816938922868231194091878298999556042764754
| 2025-07-03T20:02:02
| null |
FO2RbW
|
FO2RbW
|
A2BCD
|
[
"F",
"O",
"Rb",
"W"
] |
[
0.2,
0.4,
0.2,
0.2
] |
[
37,
74,
8,
8,
9
] | 5
| 4
| 3
|
[
[
4.58491554,
0,
2.807451070210979e-16
],
[
7.373106526728386e-16,
4.58491554,
2.807451070210979e-16
],
[
0,
0,
4.58491554
]
] |
[
1,
1,
1
] |
[
true,
true,
true
] |
[
"carbon_x_53"
] | null | null | null | null |
10768548694590503941198380050357055482828705742301958094588509378066190393962567813296119344247794843042812295401872803795603078638469078494159495876059257
|
[
[
2.31826947,
2.29245777,
2.29245777
],
[
0.00201906,
0,
4.58491554
],
[
2.29303093,
2.29245777,
0
],
[
0.02297148,
2.29245777,
2.29245777
],
[
2.28954988,
0,
2.29245777
]
] |
CO_3909733022719584160629401
|
390973302271958416062940188181540598720949851453597277812972930801810723070093512210226395206873543728785196238554895154293583669907829795441476750642121
| 2025-07-03T20:02:02
| null |
AsCdFNO
|
AsCdFNO
|
ABCDE
|
[
"As",
"Cd",
"F",
"N",
"O"
] |
[
0.2,
0.2,
0.2,
0.2,
0.2
] |
[
48,
33,
7,
8,
9
] | 5
| 5
| 3
|
[
[
4.14960568,
0,
2.5409006568678377e-16
],
[
6.67307488123482e-16,
4.14960568,
2.5409006568678377e-16
],
[
0,
0,
4.14960568
]
] |
[
1,
1,
1
] |
[
true,
true,
true
] |
[
"carbon_x_54"
] | null | null | null | null |
8218400700078545759358450537482320605226398010942480328042039534171696164122433292933950082474034835203004902675750100587259584869050554687681208575523762
|
[
[
0.44000609,
0,
4.14960568
],
[
2.16072233,
2.07480284,
2.07480284
],
[
1.6302372,
2.07480284,
0
],
[
3.93618988,
2.07480284,
2.07480284
],
[
2.19809692,
0,
2.07480284
]
] |
CO_7549978105945650060012314
|
7549978105945650060012314669790689983762191698037338549258894018198695338485834773462913523462767891872230907948366246306452880663566877661456407480225274
| 2025-07-03T20:02:02
| null |
AsCdFNO
|
AsCdFNO
|
ABCDE
|
[
"As",
"Cd",
"F",
"N",
"O"
] |
[
0.2,
0.2,
0.2,
0.2,
0.2
] |
[
48,
33,
7,
8,
9
] | 5
| 5
| 3
|
[
[
4.32572921,
0,
2.6487452155023546e-16
],
[
6.956303118968824e-16,
4.32572921,
2.6487452155023546e-16
],
[
0,
0,
4.32572921
]
] |
[
1,
1,
1
] |
[
true,
true,
true
] |
[
"carbon_x_55"
] | null | null | null | null |
47922341042619089739957241405692778427821358826008549087430876950139304075964288390997072728355265160908018011743818890641069991839334269367203057974536
|
[
[
2.16212724,
2.16286461,
2.16286461
],
[
0.00624622,
0,
4.32572921
],
[
2.17179369,
2.16286461,
4.32572921
],
[
0.00259258,
2.16286461,
2.16286461
],
[
2.16265104,
0,
2.16286461
]
] |
CO_1048523403601527896402635
|
10485234036015278964026351902293572204243491533782612325159190047045907504110052521429856752716641270659135755484026439378893445315301582352268515077632334
| 2025-07-03T20:02:02
| null |
BiFO2Sn
|
BiFO2Sn
|
A2BCD
|
[
"Bi",
"F",
"O",
"Sn"
] |
[
0.2,
0.2,
0.4,
0.2
] |
[
50,
83,
8,
8,
9
] | 5
| 4
| 3
|
[
[
4.36038889,
0,
2.66996814858809e-16
],
[
7.012040135407368e-16,
4.36038889,
2.66996814858809e-16
],
[
0,
0,
4.36038889
]
] |
[
1,
1,
1
] |
[
true,
true,
true
] |
[
"carbon_x_56"
] | null | null | null | null |
7093046671179325610473171900431509653272881100906785756852956627107780957663670208542230649286193511509341340915054925045351274781448341533870594060991698
|
[
[
2.20109545,
2.18019445,
2.18019445
],
[
0.00479229,
0,
4.36038889
],
[
2.1804627,
2.18019445,
4.36038889
],
[
0.01917158,
2.18019445,
2.18019445
],
[
2.17815496,
0,
2.18019445
]
] |
CO_5865692284337296178497722
|
5865692284337296178497722914098809456073111017639619049631212517227893092847896444500357422849551465929521147916202541308629896297456249424021877564714034
| 2025-07-03T20:02:02
| null |
BiFO2Sn
|
BiFO2Sn
|
A2BCD
|
[
"Bi",
"F",
"O",
"Sn"
] |
[
0.2,
0.2,
0.4,
0.2
] |
[
50,
83,
8,
8,
9
] | 5
| 4
| 3
|
[
[
4.60236448,
0,
2.8181354644707367e-16
],
[
7.401166562355235e-16,
4.60236448,
2.8181354644707367e-16
],
[
0,
0,
4.60236448
]
] |
[
1,
1,
1
] |
[
true,
true,
true
] |
[
"carbon_x_57"
] | null | null | null | null |
6147099341899223460399848085536325300495668574646892568783946464326113254491468361089183584750844665843146764760684381403651467855908039443646484386971180
|
[
[
0.01313059,
0,
0
],
[
2.30593239,
2.30118224,
2.30118224
],
[
2.31047405,
2.30118224,
4.60236448
],
[
0.02562767,
2.30118224,
2.30118224
],
[
2.30188898,
0,
2.30118224
]
] |
CO_1175176279568209582932523
|
11751762795682095829325239040967258257703863836497973464030811983216089918620729025745082101933465903217064560708469770729425765548855814470925958917853873
| 2025-07-03T20:02:02
| null |
FIrNORb
|
FIrNORb
|
ABCDE
|
[
"F",
"Ir",
"N",
"O",
"Rb"
] |
[
0.2,
0.2,
0.2,
0.2,
0.2
] |
[
37,
77,
7,
8,
9
] | 5
| 5
| 3
|
[
[
4.59344424,
0,
2.8126733927889235e-16
],
[
7.386821722370683e-16,
4.59344424,
2.8126733927889235e-16
],
[
0,
0,
4.59344424
]
] |
[
1,
1,
1
] |
[
true,
true,
true
] |
[
"carbon_x_58"
] | null | null | null | null |
4408615306373091547855764449706150632693329164723969883097207862308965638445148418846855411452896056781013274850733893063825383488716061686847452498668140
|
[
[
2.32347333,
2.29672212,
2.29672212
],
[
0.00109223,
0,
0
],
[
2.29686599,
2.29672212,
4.59344424
],
[
0.02284104,
2.29672212,
2.29672212
],
[
2.29434198,
0,
2.29672212
]
] |
CO_5973763355684166166111023
|
5973763355684166166111023048278915170045912284920572594345654812906442844400463796684990988052522117732188390904933412380235289398947442920067249402042673
| 2025-07-03T20:02:02
| null |
FIrNORb
|
FIrNORb
|
ABCDE
|
[
"F",
"Ir",
"N",
"O",
"Rb"
] |
[
0.2,
0.2,
0.2,
0.2,
0.2
] |
[
37,
77,
7,
8,
9
] | 5
| 5
| 3
|
[
[
4.16873651,
0,
2.552614911730104e-16
],
[
6.703839602264933e-16,
4.16873651,
2.552614911730104e-16
],
[
0,
0,
4.16873651
]
] |
[
1,
1,
1
] |
[
true,
true,
true
] |
[
"carbon_x_59"
] | null | null | null | null |
364587081296259464850512592801008188018808881359196055764183426836361012427294337039388261695634609502073152539200517141499303031574341749547794520806979
|
[
[
0.0063647,
0,
4.16873651
],
[
2.14256223,
2.08436825,
2.08436826
],
[
2.08644433,
2.08436825,
4.16873651
],
[
0.0066528,
2.08436825,
2.08436825
],
[
2.08827565,
0,
2.08436825
]
] |
CO_3794048415804867608391084
|
3794048415804867608391084924430650235802845164295470209359667714153716317431786153985296225517985872479843405267317192606671875820605067817496920000551203
| 2025-07-03T20:02:02
| null |
NaO2SSi
|
NaO2SSi
|
A2BCD
|
[
"Na",
"O",
"S",
"Si"
] |
[
0.2,
0.4,
0.2,
0.2
] |
[
11,
14,
16,
8,
8
] | 5
| 4
| 3
|
[
[
4.2345672,
0,
2.5929245836271847e-16
],
[
6.809703425897774e-16,
4.2345672,
2.5929245836271847e-16
],
[
0,
0,
4.2345672
]
] |
[
1,
1,
1
] |
[
true,
true,
true
] |
[
"carbon_x_60"
] | null | null | null | null |
3559983946763710120623491615332619453913969526678348958569058632006729364974530034524580590799130729490519899171752088971477852849275778869020030803784497
|
[
[
2.75028496,
2.1172836,
2.1172836
],
[
1.26779876,
0,
0
],
[
0.38879103,
0,
2.1172836
],
[
1.30638515,
2.1172836,
4.2345672
],
[
0.66006833,
2.1172836,
2.1172836
]
] |
CO_5802040265695441973709668
|
5802040265695441973709668533263865412051319253135381176314638771899334449418696448176513191765072771696642262924672936464017764547674576020899784789355904
| 2025-07-03T20:02:02
| null |
NaO2SSi
|
NaO2SSi
|
A2BCD
|
[
"Na",
"O",
"S",
"Si"
] |
[
0.2,
0.4,
0.2,
0.2
] |
[
11,
14,
16,
8,
8
] | 5
| 4
| 3
|
[
[
4.06902428,
0,
2.4915587800774317e-16
],
[
6.543490106752168e-16,
4.06902428,
2.4915587800774317e-16
],
[
0,
0,
4.06902428
]
] |
[
1,
1,
1
] |
[
true,
true,
true
] |
[
"carbon_x_61"
] | null | null | null | null |
11711787601039457598757080840309948100251023282042796026177162160657167178981459821470934123156826027761650366743183908620043867684013164552477988068622050
|
[
[
3.85160545,
0,
0
],
[
2.44721667,
2.03451214,
2.03451214
],
[
1.59516286,
0,
2.03451214
],
[
2.30094925,
2.03451214,
0
],
[
0.02244795,
2.03451214,
2.03451214
]
] |
CO_7913428215687265442865757
|
7913428215687265442865757694337619296907470415406732456343998914476040229518801686290214653443621351306222223370600091019885391192301977163659551007779026
| 2025-07-03T20:02:02
| null |
AuO2PdS
|
AuO2PdS
|
A2BCD
|
[
"Au",
"O",
"Pd",
"S"
] |
[
0.2,
0.4,
0.2,
0.2
] |
[
46,
79,
16,
8,
8
] | 5
| 4
| 3
|
[
[
4.42502599,
0,
2.709546957398674e-16
],
[
7.115984519926781e-16,
4.42502599,
2.709546957398674e-16
],
[
0,
0,
4.42502599
]
] |
[
1,
1,
1
] |
[
true,
true,
true
] |
[
"carbon_x_62"
] | null | null | null | null |
795158587918780458803619248784088262910643829370322630114707395115516115480683679867441539627667242377782113507425121272492309512879960266631268004807376
|
[
[
0.87918947,
0,
0
],
[
2.34005317,
2.21251299,
2.212513
],
[
1.30737335,
0,
2.21251299
],
[
1.75399229,
2.21251299,
0
],
[
0.00777791,
2.21251299,
2.21251299
]
] |
CO_1102897553410491324358604
|
11028975534104913243586045771664590944105700478708077009375534779143553966618598192019635521611743520157114171311930625224140769027471519859478188227665991
| 2025-07-03T20:02:02
| null |
AuO2PdS
|
AuO2PdS
|
A2BCD
|
[
"Au",
"O",
"Pd",
"S"
] |
[
0.2,
0.4,
0.2,
0.2
] |
[
46,
79,
16,
8,
8
] | 5
| 4
| 3
|
[
[
4.28587461,
0,
2.624341311341705e-16
],
[
6.89221203401502e-16,
4.28587461,
2.624341311341705e-16
],
[
0,
0,
4.28587461
]
] |
[
1,
1,
1
] |
[
true,
true,
true
] |
[
"carbon_x_63"
] | null | null | null | null |
4079044978456119075770171569237089007943868598691743071161133984788887525128065363090661475890344270916878007515679334775888712727357346708445127942064203
|
[
[
2.5159941,
2.1429373,
2.14293731
],
[
3.70927147,
0,
4.28587461
],
[
0.58074055,
0,
2.1429373
],
[
2.84251697,
2.1429373,
4.28587461
],
[
0.39228996,
2.1429373,
2.1429373
]
] |
CO_3182620551677942562554465
|
3182620551677942562554465095095198850884091160282437546594804480343180109738879814075904413983983977068503010689764435414238852522945633183419322809945575
| 2025-07-03T20:02:02
| null |
N2OPdSb
|
N2OPdSb
|
A2BCD
|
[
"N",
"O",
"Pd",
"Sb"
] |
[
0.4,
0.2,
0.2,
0.2
] |
[
51,
46,
7,
7,
8
] | 5
| 4
| 3
|
[
[
4.0152884,
0,
2.4586550433567485e-16
],
[
6.457076221023862e-16,
4.0152884,
2.4586550433567485e-16
],
[
0,
0,
4.0152884
]
] |
[
1,
1,
1
] |
[
true,
true,
true
] |
[
"carbon_x_64"
] | null | null | null | null |
3794414581244997590115758818663795239149789497674335282586206162114190712308918042551180944184429464095515419442519372407960020350908943139784704987493207
|
[
[
2.03112681,
2.0076442,
2.0076442
],
[
0.00134215,
0,
4.0152884
],
[
2.005996,
0,
2.0076442
],
[
2.005996,
2.0076442,
4.0152884
],
[
0.01898978,
2.0076442,
2.0076442
]
] |
CO_1137919193948764943829578
|
11379191939487649438295786372374058731860647923930097287724552318220784327189222428856470156255071640239130767412356497843759660498374866959246533096493816
| 2025-07-03T20:02:02
| null |
N2OPdSb
|
N2OPdSb
|
A2BCD
|
[
"N",
"O",
"Pd",
"Sb"
] |
[
0.4,
0.2,
0.2,
0.2
] |
[
51,
46,
7,
7,
8
] | 5
| 4
| 3
|
[
[
4.03471248,
0,
2.4705488620559393e-16
],
[
6.488312524020992e-16,
4.03471248,
2.4705488620559393e-16
],
[
0,
0,
4.03471248
]
] |
[
1,
1,
1
] |
[
true,
true,
true
] |
[
"carbon_x_65"
] | null | null | null | null |
12030606193380469140176589958390768162082473822364666368722949865624965082570956919617725257513949137450932577688345244193207826854147148402615234110874233
|
[
[
0.65389359,
0,
4.03471248
],
[
2.07986483,
2.01735624,
2.01735624
],
[
1.6834722,
0,
2.01735624
],
[
1.6834722,
2.01735624,
4.03471248
],
[
4.0258065,
2.01735624,
2.01735624
]
] |
CO_1105948344849302669321527
|
11059483448493026693215275317070293349799639159761301840122354277708188495078231757143506809681230375072026004743179814188532975175848534971425289676717798
| 2025-07-03T20:02:02
| null |
FNOSiTe
|
FNOSiTe
|
ABCDE
|
[
"F",
"N",
"O",
"Si",
"Te"
] |
[
0.2,
0.2,
0.2,
0.2,
0.2
] |
[
14,
52,
7,
8,
9
] | 5
| 5
| 3
|
[
[
3.94084776,
0,
2.4130732976055085e-16
],
[
6.337366541783437e-16,
3.94084776,
2.4130732976055085e-16
],
[
0,
0,
3.94084776
]
] |
[
1,
1,
1
] |
[
true,
true,
true
] |
[
"carbon_x_66"
] | null | null | null | null |
1988062267749432554254848816010633885032307404183199072131532028594708777608484676496221788970301281196284621395125136048849898398123159804802509046054193
|
[
[
2.09628002,
1.97042388,
1.97042388
],
[
0.3012732,
0,
3.94084776
],
[
1.64681667,
1.97042388,
3.94084776
],
[
3.8214061,
1.97042388,
1.97042388
],
[
2.09699579,
0,
1.97042388
]
] |
CO_2327920804339505970075982
|
2327920804339505970075982744009366321648798423080995520546413427850467325243375620640714622888767566957672662317359933094924119008859232168712514692398399
| 2025-07-03T20:02:02
| null |
FNOSiTe
|
FNOSiTe
|
ABCDE
|
[
"F",
"N",
"O",
"Si",
"Te"
] |
[
0.2,
0.2,
0.2,
0.2,
0.2
] |
[
14,
52,
7,
8,
9
] | 5
| 5
| 3
|
[
[
4.37873575,
0,
2.681202360274792e-16
],
[
7.041544136523813e-16,
4.37873575,
2.681202360274792e-16
],
[
0,
0,
4.37873575
]
] |
[
1,
1,
1
] |
[
true,
true,
true
] |
[
"carbon_x_67"
] | null | null | null | null |
1273413221653333407063566150162943036977451872467762416717103484506336716300751440849038545430388756875876980292080205194339319429181875427896650018565172
|
[
[
0.77839967,
0,
0
],
[
2.27328775,
2.18936787,
2.18936788
],
[
1.76912699,
2.18936787,
4.37873575
],
[
4.18143412,
2.18936787,
2.18936788
],
[
1.91224842,
0,
2.18936787
]
] |
CO_6335370329463482410138739
|
6335370329463482410138739113122771400278044473437139699515322260792265975857725699719081332292644725180581380561532131428521407073778853145690087663024020
| 2025-07-03T20:02:02
| null |
FMgO2Pd
|
FMgO2Pd
|
A2BCD
|
[
"F",
"Mg",
"O",
"Pd"
] |
[
0.2,
0.2,
0.4,
0.2
] |
[
12,
46,
8,
8,
9
] | 5
| 4
| 3
|
[
[
4.07791568,
0,
2.497003192352401e-16
],
[
6.557788568479502e-16,
4.07791568,
2.497003192352401e-16
],
[
0,
0,
4.07791568
]
] |
[
1,
1,
1
] |
[
true,
true,
true
] |
[
"carbon_x_68"
] | null | null | null | null |
3677827182774048008206052223565552501997654329416980886269478121733599855284430934045642095656887315618894954016057154666722696937507953825930698976487909
|
[
[
0.0017933,
0,
0
],
[
2.05920877,
2.03895784,
2.03895784
],
[
2.03601277,
2.03895784,
0
],
[
0.01908978,
2.03895784,
2.03895784
],
[
2.04031285,
0,
2.03895784
]
] |
CO_6164545492968669048236457
|
6164545492968669048236457277285078594163715978788398625853787923922180334546617313235815231211607712037664944192971792555720430181359979796947084435729704
| 2025-07-03T20:02:02
| null |
FMgO2Pd
|
FMgO2Pd
|
A2BCD
|
[
"F",
"Mg",
"O",
"Pd"
] |
[
0.2,
0.2,
0.4,
0.2
] |
[
12,
46,
8,
8,
9
] | 5
| 4
| 3
|
[
[
3.89838836,
0,
2.38707441345365e-16
],
[
6.269086618951757e-16,
3.89838836,
2.38707441345365e-16
],
[
0,
0,
3.89838836
]
] |
[
1,
1,
1
] |
[
true,
true,
true
] |
[
"carbon_x_69"
] | null | null | null | null |
11070729159296676443849107934854348332596469600940188221317905101048400096436914258807769641660591376534200666337702789224959096867737379518368003979568900
|
[
[
1.96136889,
1.94919418,
1.94919418
],
[
0.0030878,
0,
0
],
[
1.95474938,
1.94919418,
0
],
[
0.01093825,
1.94919418,
1.94919418
],
[
1.95238115,
0,
1.94919418
]
] |
CO_5933956498351116088145678
|
5933956498351116088145678639259095159562361807726830608440549679511599103453599528543833103711588854021224423305204542431745538195731194338451281185106550
| 2025-07-03T20:02:02
| null |
BFNORh
|
BFNORh
|
ABCDE
|
[
"B",
"F",
"N",
"O",
"Rh"
] |
[
0.2,
0.2,
0.2,
0.2,
0.2
] |
[
5,
45,
7,
8,
9
] | 5
| 5
| 3
|
[
[
3.60773455,
0,
2.2091002844154084e-16
],
[
5.801679643875947e-16,
3.60773455,
2.2091002844154084e-16
],
[
0,
0,
3.60773455
]
] |
[
1,
1,
1
] |
[
true,
true,
true
] |
[
"carbon_x_70"
] | null | null | null | null |
3689156743619163400227003513014935043592466825838959775817666898442568458756667029604106139976435566678071444064991874950208557986219745966343935228188562
|
[
[
2.04882156,
1.80386727,
1.80386727
],
[
0.39880013,
0,
0
],
[
1.4934701,
1.80386727,
0
],
[
3.43023156,
1.80386727,
1.80386728
],
[
1.75586381,
0,
1.80386727
]
] |
CO_8862499786444255700441765
|
8862499786444255700441765606570900159753223493903605240820542273972434210773267980269779401988646655407003579300565098512517016397802824092143332511131816
| 2025-07-03T20:02:02
| null |
BFNORh
|
BFNORh
|
ABCDE
|
[
"B",
"F",
"N",
"O",
"Rh"
] |
[
0.2,
0.2,
0.2,
0.2,
0.2
] |
[
5,
45,
7,
8,
9
] | 5
| 5
| 3
|
[
[
3.99743983,
0,
2.44772594629682e-16
],
[
6.428373531342522e-16,
3.99743983,
2.44772594629682e-16
],
[
0,
0,
3.99743983
]
] |
[
1,
1,
1
] |
[
true,
true,
true
] |
[
"carbon_x_71"
] | null | null | null | null |
10347034557922907650515544962892593392612372278392240534328664800594588349150062821810973638952820781035316423153565273718271613135752498837696312139670679
|
[
[
0.00224528,
0,
3.99743983
],
[
2.01704598,
1.99871991,
1.99871992
],
[
1.99606282,
1.99871991,
0
],
[
0.0171473,
1.99871991,
1.99871992
],
[
1.99835359,
0,
1.99871992
]
] |
CO_1908883488603625103097889
|
1908883488603625103097889899438399264133729426791959945430365876407326656463345318984325783317520153600891123737507467976630126108299658254426344549262012
| 2025-07-03T20:02:02
| null |
HfO2SSc
|
HfO2SSc
|
A2BCD
|
[
"Hf",
"O",
"S",
"Sc"
] |
[
0.2,
0.4,
0.2,
0.2
] |
[
72,
21,
16,
8,
8
] | 5
| 4
| 3
|
[
[
4.39021189,
0,
2.6882294693335757e-16
],
[
7.059999177188673e-16,
4.39021189,
2.6882294693335757e-16
],
[
0,
0,
4.39021189
]
] |
[
1,
1,
1
] |
[
true,
true,
true
] |
[
"carbon_x_72"
] | null | null | null | null |
1861356301873113674849444207079072318431720252664513224631323927956251768045638044390404330091288451920013462289638704636191037110647685198820812403832258
|
[
[
3.17847877,
0,
4.39021189
],
[
2.63702955,
2.19510594,
2.19510595
],
[
1.74425384,
0,
2.19510594
],
[
2.80120977,
2.19510594,
4.39021189
],
[
0.17975196,
2.19510594,
2.19510594
]
] |
CO_6525852307863311619537699
|
6525852307863311619537699644453252457703399243797771711138065067758490350868108076246335544348012811848854151543678518594068837512063470762042279461188772
| 2025-07-03T20:02:02
| null |
HfO2SSc
|
HfO2SSc
|
A2BCD
|
[
"Hf",
"O",
"S",
"Sc"
] |
[
0.2,
0.4,
0.2,
0.2
] |
[
72,
21,
16,
8,
8
] | 5
| 4
| 3
|
[
[
4.47766647,
0,
2.741779955067464e-16
],
[
7.200636868104631e-16,
4.47766647,
2.741779955067464e-16
],
[
0,
0,
4.47766647
]
] |
[
1,
1,
1
] |
[
true,
true,
true
] |
[
"carbon_x_73"
] | null | null | null | null |
11962833340626928200721336487910927839290346255981435566235448598942502826310528565230092062758906595696144379032218208752520141066896558070786634051890168
|
[
[
2.86997447,
2.23883323,
2.23883324
],
[
3.26839571,
0,
0
],
[
1.94205511,
0,
2.23883323
],
[
2.95310795,
2.23883323,
0
],
[
0.32555492,
2.23883323,
2.23883323
]
] |
CO_4786052630347213361403546
|
4786052630347213361403546901531219100183969103730340342353827088319494165229170808204599489555078905398345694660149443610540930392590310879133278193142501
| 2025-07-03T20:02:02
| null |
CsN2OPd
|
CsN2OPd
|
A2BCD
|
[
"Cs",
"N",
"O",
"Pd"
] |
[
0.2,
0.4,
0.2,
0.2
] |
[
55,
46,
7,
7,
8
] | 5
| 4
| 3
|
[
[
4.34378626,
0,
2.6598019697446264e-16
],
[
6.985341070060167e-16,
4.34378626,
2.6598019697446264e-16
],
[
0,
0,
4.34378626
]
] |
[
1,
1,
1
] |
[
true,
true,
true
] |
[
"carbon_x_74"
] | null | null | null | null |
3956528922118706585535501730188015584511499095942334505270629894201506910017883381873954655131423480920667624312846751971152895624294356458682832437005445
|
[
[
2.63511241,
2.17189313,
2.17189313
],
[
0.50180509,
0,
0
],
[
0.44732237,
0,
2.17189313
],
[
0.44732237,
2.17189313,
0
],
[
0.4621385,
2.17189313,
2.17189313
]
] |
CO_1168672400390459729672994
|
11686724003904597296729949759340400041485852812797066913263424610899489657346768443660568041927899859019166926058693038765552089415735481386282071659628160
| 2025-07-03T20:02:02
| null |
CsN2OPd
|
CsN2OPd
|
A2BCD
|
[
"Cs",
"N",
"O",
"Pd"
] |
[
0.2,
0.4,
0.2,
0.2
] |
[
55,
46,
7,
7,
8
] | 5
| 4
| 3
|
[
[
4.2941934,
0,
2.629435101114845e-16
],
[
6.905589668631924e-16,
4.2941934,
2.629435101114845e-16
],
[
0,
0,
4.2941934
]
] |
[
1,
1,
1
] |
[
true,
true,
true
] |
[
"carbon_x_75"
] | null | null | null | null |
13224455321939722630135859872662803078342951574906807187176734403039116040831150870622366744892113096561462653372657672035020786981072297407788529217096115
|
[
[
0.00899307,
0,
0
],
[
2.18220594,
2.1470967,
2.1470967
],
[
2.13818088,
0,
2.1470967
],
[
2.13818088,
2.1470967,
0
],
[
0.01414709,
2.1470967,
2.1470967
]
] |
CO_1178945876876986841861906
|
11789458768769868418619065093042913169071731473266423066354568264213429657268413526880959480312969825492030453754076182976446833561051975091672708308735484
| 2025-07-03T20:02:02
| null |
FNNiOZn
|
FNNiOZn
|
ABCDE
|
[
"F",
"N",
"Ni",
"O",
"Zn"
] |
[
0.2,
0.2,
0.2,
0.2,
0.2
] |
[
30,
28,
7,
8,
9
] | 5
| 5
| 3
|
[
[
3.98476355,
0,
2.439963963433272e-16
],
[
6.407988518360879e-16,
3.98476355,
2.439963963433272e-16
],
[
0,
0,
3.98476355
]
] |
[
1,
1,
1
] |
[
true,
true,
true
] |
[
"carbon_x_76"
] | null | null | null | null |
9697351558281628968088979998395946263449966712615312715523258243125301208237295632897257060179107789923892340860755857732092721953611344448229395655191865
|
[
[
2.01561988,
1.99238177,
1.99238177
],
[
0.00144344,
0,
0
],
[
1.99238592,
1.99238177,
0
],
[
0.01769785,
1.99238177,
1.99238178
],
[
1.99061565,
0,
1.99238178
]
] |
CO_1271261934608471823587771
|
12712619346084718235877715702640930230598880792149664503254062849577649295594534052419427151470693956506446558803122824225594656260993948196537837691870647
| 2025-07-03T20:02:02
| null |
FNNiOZn
|
FNNiOZn
|
ABCDE
|
[
"F",
"N",
"Ni",
"O",
"Zn"
] |
[
0.2,
0.2,
0.2,
0.2,
0.2
] |
[
30,
28,
7,
8,
9
] | 5
| 5
| 3
|
[
[
3.79484624,
0,
2.3236731505361844e-16
],
[
6.102578190584221e-16,
3.79484624,
2.3236731505361844e-16
],
[
0,
0,
3.79484624
]
] |
[
1,
1,
1
] |
[
true,
true,
true
] |
[
"carbon_x_77"
] | null | null | null | null |
11293351792056840085115244553987305345379034680443441567604591182835957694734042890929793819136948722888944664245956071668516076889029932408991776217440648
|
[
[
0.00240931,
0,
0
],
[
1.91681368,
1.89742312,
1.89742312
],
[
1.8956321,
1.89742312,
0
],
[
0.01711487,
1.89742312,
1.89742312
],
[
1.89859869,
0,
1.89742312
]
] |
CO_1075094996376662091689263
|
10750949963766620916892634251079875631550428109607950360148219222884377505128516567695207490734416763801894766549176733999583863867118984203398792541285747
| 2025-07-03T20:02:02
| null |
FLaNORu
|
FLaNORu
|
ABCDE
|
[
"F",
"La",
"N",
"O",
"Ru"
] |
[
0.2,
0.2,
0.2,
0.2,
0.2
] |
[
57,
44,
7,
8,
9
] | 5
| 5
| 3
|
[
[
4.67787273,
0,
2.864370932806595e-16
],
[
7.52259308941768e-16,
4.67787273,
2.864370932806595e-16
],
[
0,
0,
4.67787273
]
] |
[
1,
1,
1
] |
[
true,
true,
true
] |
[
"carbon_x_78"
] | null | null | null | null |
10640042905578830231715291994280088413823563292053834559533952297848094496986556355784762233442868366123684621104050991885419848367964630464174535601477502
|
[
[
2.36457939,
2.33893636,
2.33893637
],
[
0.00106267,
0,
0
],
[
2.34026264,
2.33893636,
4.67787273
],
[
0.02260353,
2.33893636,
2.33893636
],
[
2.33757234,
0,
2.33893636
]
] |
CO_6199034883371828015477273
|
6199034883371828015477273259497000317667420080995230632593208980162009435780141564548715159911457306136127431407333384622886721837377252070563877615987103
| 2025-07-03T20:02:02
| null |
FLaNORu
|
FLaNORu
|
ABCDE
|
[
"F",
"La",
"N",
"O",
"Ru"
] |
[
0.2,
0.2,
0.2,
0.2,
0.2
] |
[
57,
44,
7,
8,
9
] | 5
| 5
| 3
|
[
[
4.1358926,
0,
2.5325038171036123e-16
],
[
6.651022566689993e-16,
4.1358926,
2.5325038171036123e-16
],
[
0,
0,
4.1358926
]
] |
[
1,
1,
1
] |
[
true,
true,
true
] |
[
"carbon_x_79"
] | null | null | null | null |
4413586550346908177354780341039159367902503797748271455197841963059391527506659508068843529724086801356511483758997929225288242402469005779584006126619845
|
[
[
0.00177012,
0,
0
],
[
2.08355516,
2.0679463,
2.0679463
],
[
2.07028945,
2.0679463,
0
],
[
0.01845051,
2.0679463,
2.0679463
],
[
2.06787078,
0,
2.0679463
]
] |
CO_5771604894012352152126366
|
577160489401235215212636686524822082577794037137134910691471255368452025075378549492150975710826479001619865334450722007531880324486143705233127861151140
| 2025-07-03T20:02:02
| null |
AlO2RuS
|
AlO2RuS
|
A2BCD
|
[
"Al",
"O",
"Ru",
"S"
] |
[
0.2,
0.4,
0.2,
0.2
] |
[
13,
44,
16,
8,
8
] | 5
| 4
| 3
|
[
[
4.31218984,
0,
2.6404547424358686e-16
],
[
6.934530151409471e-16,
4.31218984,
2.6404547424358686e-16
],
[
0,
0,
4.31218984
]
] |
[
1,
1,
1
] |
[
true,
true,
true
] |
[
"carbon_x_80"
] | null | null | null | null |
10087818112147308748644061969764168216234913367712979837213203534740095842858740351866131641786972202178163460403545293352076336165972746781025154316523911
|
[
[
1.00995289,
0,
0
],
[
2.25834669,
2.15609492,
2.15609492
],
[
1.6979862,
0,
2.15609492
],
[
1.61671949,
2.15609492,
0
],
[
4.19358728,
2.15609492,
2.15609492
]
] |
CO_1748505996029267177328706
|
1748505996029267177328706871593601431713563798326404165788437313929805051991103784411013558967092009333345212356248436806222378332466756523366194494690512
| 2025-07-03T20:02:02
| null |
AlO2RuS
|
AlO2RuS
|
A2BCD
|
[
"Al",
"O",
"Ru",
"S"
] |
[
0.2,
0.4,
0.2,
0.2
] |
[
13,
44,
16,
8,
8
] | 5
| 4
| 3
|
[
[
4.05285057,
0,
2.4816552389865134e-16
],
[
6.517480797371867e-16,
4.05285057,
2.4816552389865134e-16
],
[
0,
0,
4.05285057
]
] |
[
1,
1,
1
] |
[
true,
true,
true
] |
[
"carbon_x_81"
] | null | null | null | null |
13057308080505078871085941662733762217570854296618249233645611123396409262999113444875823426599322646966596887625826681254476690305143025375190858087821969
|
[
[
2.31883477,
2.02642529,
2.02642529
],
[
3.97907463,
0,
4.05285057
],
[
1.36442368,
0,
2.02642529
],
[
2.49063024,
2.02642529,
0
],
[
0.0734308,
2.02642529,
2.02642529
]
] |
CO_5291370302883646428475234
|
5291370302883646428475234771677694582319000679044547065453638824739422162187679882782896954098284344054790655563637266699395614844580745137220507155578113
| 2025-07-03T20:02:02
| null |
MgN3Sr
|
MgN3Sr
|
A3BC
|
[
"Mg",
"N",
"Sr"
] |
[
0.2,
0.6,
0.2
] |
[
38,
12,
7,
7,
7
] | 5
| 3
| 3
|
[
[
4.16649618,
0,
2.5512431052483375e-16
],
[
6.700236876849184e-16,
4.16649618,
2.5512431052483375e-16
],
[
0,
0,
4.16649618
]
] |
[
1,
1,
1
] |
[
true,
true,
true
] |
[
"carbon_x_82"
] | null | null | null | null |
1444467791009542918243231249524561214836517962737937331258832792826732307594414797405361508383167306455715580031788740124089427967601610378824437677158323
|
[
[
0.00272726,
0,
0
],
[
2.10205778,
2.08324809,
2.08324809
],
[
2.08346841,
0,
2.08324809
],
[
2.08346841,
2.08324809,
4.16649618
],
[
0.01967844,
2.08324809,
2.08324809
]
] |
CO_1066855774683024766184745
|
1066855774683024766184745088112517069367265539959523001761957820819884588699861713427704064198018020017713820362440669485566234709870973439802839632518338
| 2025-07-03T20:02:02
| null |
MgN3Sr
|
MgN3Sr
|
A3BC
|
[
"Mg",
"N",
"Sr"
] |
[
0.2,
0.6,
0.2
] |
[
38,
12,
7,
7,
7
] | 5
| 3
| 3
|
[
[
4.43673784,
0,
2.716718397205971e-16
],
[
7.134818611181397e-16,
4.43673784,
2.716718397205971e-16
],
[
0,
0,
4.43673784
]
] |
[
1,
1,
1
] |
[
true,
true,
true
] |
[
"carbon_x_83"
] | null | null | null | null |
5856980346068518271002133617638418119581824613911345833324102734088234712380108364145105792905902971091195812440141572033559795111509802147768420314883524
|
[
[
2.22619138,
2.21836892,
2.21836892
],
[
0.00672814,
0,
4.43673784
],
[
2.21821306,
0,
2.21836892
],
[
2.21821306,
2.21836892,
4.43673784
],
[
0.0083152,
2.21836892,
2.21836892
]
] |
CO_4597776371007310243545546
|
4597776371007310243545546105539018966301361915413532643407067266552875803557085534080603804600823330922899708880575853727622257450707079583615241276542998
| 2025-07-03T20:02:02
| null |
AlNO2Pd
|
AlNO2Pd
|
A2BCD
|
[
"Al",
"N",
"O",
"Pd"
] |
[
0.2,
0.2,
0.4,
0.2
] |
[
13,
46,
7,
8,
8
] | 5
| 4
| 3
|
[
[
3.97886715,
0,
2.436353459740026e-16
],
[
6.398506383969327e-16,
3.97886715,
2.436353459740026e-16
],
[
0,
0,
3.97886715
]
] |
[
1,
1,
1
] |
[
true,
true,
true
] |
[
"carbon_x_84"
] | null | null | null | null |
3710247005424160315432617747272758033632407372948156061798700574828464286763419907479063627707477330279527011791698373639186459721837537472045236158133138
|
[
[
1.04834738,
0,
0
],
[
1.91822546,
1.98943358,
1.98943358
],
[
1.30387874,
0,
1.98943357
],
[
1.52489475,
1.98943358,
0
],
[
3.84338032,
1.98943358,
1.98943358
]
] |
CO_1279293773288258468580771
|
12792937732882584685807714554770226434952348509619362897397572981217497039405511618910918719651716683679047281642299992332229111870189174750039930836306091
| 2025-07-03T20:02:02
| null |
AlNO2Pd
|
AlNO2Pd
|
A2BCD
|
[
"Al",
"N",
"O",
"Pd"
] |
[
0.2,
0.2,
0.4,
0.2
] |
[
13,
46,
7,
8,
8
] | 5
| 4
| 3
|
[
[
3.74289536,
0,
2.29186241108374e-16
],
[
6.019034803785587e-16,
3.74289536,
2.29186241108374e-16
],
[
0,
0,
3.74289536
]
] |
[
1,
1,
1
] |
[
true,
true,
true
] |
[
"carbon_x_85"
] | null | null | null | null |
8403456494712609851350413365279426454288446306626545150023980889690146009177209218662771566863477922731769493245096355612910422921559939285920200456641818
|
[
[
1.87783437,
1.87144768,
1.87144768
],
[
0.00860312,
0,
3.74289536
],
[
1.88160242,
0,
1.87144768
],
[
1.88101089,
1.87144768,
3.74289536
],
[
0.00798726,
1.87144768,
1.87144768
]
] |
CO_5401725536076252726535384
|
5401725536076252726535384448290696406567228907337677843579617926318379219671515014944069779858446062141030762623639879206881259326462743107301319269945089
| 2025-07-03T20:02:02
| null |
HgO2SSc
|
HgO2SSc
|
A2BCD
|
[
"Hg",
"O",
"S",
"Sc"
] |
[
0.2,
0.4,
0.2,
0.2
] |
[
21,
80,
16,
8,
8
] | 5
| 4
| 3
|
[
[
4.35667013,
0,
2.667691064822692e-16
],
[
7.006059913222657e-16,
4.35667013,
2.667691064822692e-16
],
[
0,
0,
4.35667013
]
] |
[
1,
1,
1
] |
[
true,
true,
true
] |
[
"carbon_x_86"
] | null | null | null | null |
11944345454664445511657244116481149786317430451445162557945483240405967338117486996828103995231592491321360450550564170535359276992727439159668193121072285
|
[
[
2.50461045,
2.17833507,
2.17833507
],
[
4.01599221,
0,
4.35667013
],
[
0.99397538,
0,
2.17833507
],
[
2.89491468,
2.17833507,
0
],
[
0.66120472,
2.17833507,
2.17833507
]
] |
CO_1108942029163182452828664
|
11089420291631824528286642764519958964673491008873138078389949116004112597688402099741100195362390840095731353403082517795540446492085665687214992554950632
| 2025-07-03T20:02:02
| null |
HgO2SSc
|
HgO2SSc
|
A2BCD
|
[
"Hg",
"O",
"S",
"Sc"
] |
[
0.2,
0.4,
0.2,
0.2
] |
[
21,
80,
16,
8,
8
] | 5
| 4
| 3
|
[
[
4.50636885,
0,
2.75935509396492e-16
],
[
7.246793815482257e-16,
4.50636885,
2.75935509396492e-16
],
[
0,
0,
4.50636885
]
] |
[
1,
1,
1
] |
[
true,
true,
true
] |
[
"carbon_x_87"
] | null | null | null | null |
10839443327049799142633562513125996574027101727989871919928204250169333890027785091234525742208745482403816564013382127428649226733281926355058175127478464
|
[
[
0.00166375,
0,
0
],
[
2.27888582,
2.25318443,
2.25318443
],
[
2.24912707,
0,
2.25318443
],
[
2.25443571,
2.25318443,
0
],
[
0.02166946,
2.25318443,
2.25318443
]
] |
CO_1285601299085075903418784
|
12856012990850759034187840187099617841589673335314278126501146526927490730680068737056066354594891076841747504511430162532128592435867661817083359464241393
| 2025-07-03T20:02:02
| null |
AgBeFO2
|
AgBeFO2
|
A2BCD
|
[
"Ag",
"Be",
"F",
"O"
] |
[
0.2,
0.2,
0.2,
0.4
] |
[
4,
47,
8,
8,
9
] | 5
| 4
| 3
|
[
[
4.12580629,
0,
2.526327733475258e-16
],
[
6.634802543127333e-16,
4.12580629,
2.526327733475258e-16
],
[
0,
0,
4.12580629
]
] |
[
1,
1,
1
] |
[
true,
true,
true
] |
[
"carbon_x_88"
] | null | null | null | null |
12204231783005275259142074800111015737366948842301126020622649095674546806516916038871115021150791835459297926601368973439613042233179370867904487164598781
|
[
[
0.00112069,
0,
4.12580629
],
[
2.08483601,
2.06290314,
2.06290315
],
[
2.06304577,
2.06290314,
4.12580629
],
[
0.02016781,
2.06290314,
2.06290314
],
[
2.06281337,
0,
2.06290314
]
] |
CO_9550552804480191396143396
|
9550552804480191396143396025179309242411608140646094251084586054880733961589328147653126162080239199834209102170126494518168561818376965395270598581000732
| 2025-07-03T20:02:02
| null |
AgBeFO2
|
AgBeFO2
|
A2BCD
|
[
"Ag",
"Be",
"F",
"O"
] |
[
0.2,
0.2,
0.2,
0.4
] |
[
4,
47,
8,
8,
9
] | 5
| 4
| 3
|
[
[
3.65717101,
0,
2.2393713856654963e-16
],
[
5.88117953492178e-16,
3.65717101,
2.2393713856654963e-16
],
[
0,
0,
3.65717101
]
] |
[
1,
1,
1
] |
[
true,
true,
true
] |
[
"carbon_x_89"
] | null | null | null | null |
355989515208351369761467142757986918849584054062973719833438145921617706513415229658660013483648409941924344113865546487887603155655535427095100842266561
|
[
[
1.86515722,
1.8285855,
1.82858551
],
[
0,
0,
0
],
[
1.8285855,
1.8285855,
3.65717101
],
[
0,
1.8285855,
1.82858551
],
[
1.8285855,
0,
1.82858551
]
] |
CO_9106735067402767792465359
|
9106735067402767792465359252906642789719553697150962473664111001663835149781921891478165291781046101064396901402368105333499332932326484455412026388512958
| 2025-07-03T20:02:02
| null |
N2OReTi
|
N2OReTi
|
A2BCD
|
[
"N",
"O",
"Re",
"Ti"
] |
[
0.4,
0.2,
0.2,
0.2
] |
[
22,
75,
7,
7,
8
] | 5
| 4
| 3
|
[
[
3.94127501,
0,
2.413334912777976e-16
],
[
6.338053612185512e-16,
3.94127501,
2.413334912777976e-16
],
[
0,
0,
3.94127501
]
] |
[
1,
1,
1
] |
[
true,
true,
true
] |
[
"carbon_x_90"
] | null | null | null | null |
199825013520583094687671069203153452621997910622279510982437842155407246214053853479437484766686188763401084354806627874080687243921252138096321880371077
|
[
[
2.71934063,
0,
0
],
[
2.03576286,
1.97063751,
1.97063751
],
[
2.04432216,
0,
1.97063751
],
[
2.04432216,
1.97063751,
3.94127501
],
[
0.09578071,
1.97063751,
1.97063751
]
] |
CO_1320817299937647373236610
|
13208172999376473732366101978705112038650583566027305875600840850072639213411694072325722787926445747392627256632147804980133704954907987421751171055395621
| 2025-07-03T20:02:02
| null |
N2OReTi
|
N2OReTi
|
A2BCD
|
[
"N",
"O",
"Re",
"Ti"
] |
[
0.4,
0.2,
0.2,
0.2
] |
[
22,
75,
7,
7,
8
] | 5
| 4
| 3
|
[
[
3.96525346,
0,
2.4280174787984836e-16
],
[
6.37661390073465e-16,
3.96525346,
2.4280174787984836e-16
],
[
0,
0,
3.96525346
]
] |
[
1,
1,
1
] |
[
true,
true,
true
] |
[
"carbon_x_91"
] | null | null | null | null |
11762876260464346135411870419543059950869049925472776142085464446035960755828169310181735130105766975815732710466534084049285430219136492506557447368127069
|
[
[
2.15507069,
1.98262673,
1.98262673
],
[
1.47436276,
0,
0
],
[
1.52603862,
0,
1.98262673
],
[
1.52603862,
1.98262673,
3.96525346
],
[
3.88868247,
1.98262673,
1.98262673
]
] |
CO_1161517402648260329907592
|
11615174026482603299075921532191229362859670847778864498577130562910362482875764359835907328625420072708317417268784200058750446704310200900033592794898297
| 2025-07-03T20:02:02
| null |
BCdO2S
|
BCdO2S
|
A2BCD
|
[
"B",
"Cd",
"O",
"S"
] |
[
0.2,
0.2,
0.4,
0.2
] |
[
48,
5,
16,
8,
8
] | 5
| 4
| 3
|
[
[
3.95275668,
0,
2.4203654079851594e-16
],
[
6.356517545768624e-16,
3.95275668,
2.4203654079851594e-16
],
[
0,
0,
3.95275668
]
] |
[
1,
1,
1
] |
[
true,
true,
true
] |
[
"carbon_x_92"
] | null | null | null | null |
11352786607596619599921654993370477473147542910521830317698957882425910139513572362366688604137351513334544021812889730729457475226312989975847888782660118
|
[
[
3.72940138,
0,
0
],
[
2.45296478,
1.97637834,
1.97637834
],
[
1.5442499,
0,
1.97637834
],
[
2.3325316,
1.97637834,
3.95275668
],
[
3.81951162,
1.97637834,
1.97637834
]
] |
CO_1685543624531818455420354
|
1685543624531818455420354801507426352413197014272060869368824175121944690512632925206360223446490788817900746113650283372533957063500520541016068178318476
| 2025-07-03T20:02:02
| null |
BCdO2S
|
BCdO2S
|
A2BCD
|
[
"B",
"Cd",
"O",
"S"
] |
[
0.2,
0.2,
0.4,
0.2
] |
[
48,
5,
16,
8,
8
] | 5
| 4
| 3
|
[
[
4.28509377,
0,
2.623863184738382e-16
],
[
6.890956347525247e-16,
4.28509377,
2.623863184738382e-16
],
[
0,
0,
4.28509377
]
] |
[
1,
1,
1
] |
[
true,
true,
true
] |
[
"carbon_x_93"
] | null | null | null | null |
9961099527566926603915349750136766697374809598593607001249991202433217267499354313970179793569309922308308667382334577335895563081227922939209828060780657
|
[
[
2.07442546,
2.14254688,
2.14254689
],
[
0.80135423,
0,
0
],
[
0.30567635,
0,
2.14254688
],
[
1.59985501,
2.14254688,
4.28509377
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[
4.16894883,
2.14254688,
2.14254689
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CO_5451533687240685445010161
|
5451533687240685445010161523811360108233587890226785974684197174640919240368124186471493611438478739520283568989846663078493977520944769971308272288186758
| 2025-07-03T20:02:02
| null |
N3RhY
|
N3RhY
|
A3BC
|
[
"N",
"Rh",
"Y"
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[
0.6,
0.2,
0.2
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[
39,
45,
7,
7,
7
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| 3
| 3
|
[
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[
6.338247873401593e-16,
3.94139581,
2.413408881444645e-16
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[
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3.94139581
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[
1,
1,
1
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[
true,
true,
true
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[
"carbon_x_94"
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|
[
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[
1.97069791,
1.9706979,
3.94139581
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[
0,
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CO_1820354618499358301404955
|
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| 2025-07-03T20:02:02
| null |
N3RhY
|
N3RhY
|
A3BC
|
[
"N",
"Rh",
"Y"
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[
0.6,
0.2,
0.2
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[
39,
45,
7,
7,
7
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| 3
| 3
|
[
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[
6.964224602491319e-16,
4.33065513,
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[
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[
1,
1,
1
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[
true,
true,
true
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[
"carbon_x_95"
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|
[
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0
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2.16532757,
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[
2.16532757,
2.16532757,
0
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[
4.33065513,
2.16532757,
2.16532757
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CO_1215787278804488253451532
|
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| 2025-07-03T20:02:02
| null |
N3SrTe
|
N3SrTe
|
A3BC
|
[
"N",
"Sr",
"Te"
] |
[
0.6,
0.2,
0.2
] |
[
38,
52,
7,
7,
7
] | 5
| 3
| 3
|
[
[
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0,
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[
6.577671380838878e-16,
4.09027967,
2.5045739527414963e-16
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[
0,
0,
4.09027967
]
] |
[
1,
1,
1
] |
[
true,
true,
true
] |
[
"carbon_x_96"
] | null | null | null | null |
8972284968497716060396044741325741310973755780669464591893440236812106171104458500986946303077110761213458395393225368851627308082287172932858599194581978
|
[
[
0,
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0
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[
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[
2.04513984,
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[
2.04513984,
2.04513984,
0
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[
4.09027967,
2.04513984,
2.04513984
]
] |
CO_1116417980460456949499500
|
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| 2025-07-03T20:02:02
| null |
N3SrTe
|
N3SrTe
|
A3BC
|
[
"N",
"Sr",
"Te"
] |
[
0.6,
0.2,
0.2
] |
[
38,
52,
7,
7,
7
] | 5
| 3
| 3
|
[
[
5.02316015,
0,
3.075798499651019e-16
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[
8.07785761016809e-16,
5.02316015,
3.075798499651019e-16
],
[
0,
0,
5.02316015
]
] |
[
1,
1,
1
] |
[
true,
true,
true
] |
[
"carbon_x_97"
] | null | null | null | null |
675319204203232955447000624919135609681568688249207722554654568467800908455826898825122038994803003989360484203208408502039694947909388106327086129520856
|
[
[
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2.51158008
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[
0,
0,
0
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[
2.51158007,
0,
2.51158007
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[
2.51158008,
2.51158007,
5.02316015
],
[
5.02316015,
2.51158007,
2.51158007
]
] |
CO_1026598393569662958800936
|
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| 2025-07-03T20:02:02
| null |
FO2RhZr
|
FO2RhZr
|
A2BCD
|
[
"F",
"O",
"Rh",
"Zr"
] |
[
0.2,
0.4,
0.2,
0.2
] |
[
40,
45,
8,
8,
9
] | 5
| 4
| 3
|
[
[
4.09254849,
0,
2.505963204316917e-16
],
[
6.581319921668918e-16,
4.09254849,
2.505963204316917e-16
],
[
0,
0,
4.09254849
]
] |
[
1,
1,
1
] |
[
true,
true,
true
] |
[
"carbon_x_98"
] | null | null | null | null |
7275788797991225889115373444817033743305592750778561903234316426268978956163761626902635844008528892329703390294095774139263590504464557434016929814710850
|
[
[
0.00084458,
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[
2.06614209,
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[
2.04515632,
2.04627425,
4.09254849
],
[
0.0204363,
2.04627425,
2.04627425
],
[
2.04553366,
0,
2.04627425
]
] |
CO_1212983177995246925723286
|
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| 2025-07-03T20:02:02
| null |
FO2RhZr
|
FO2RhZr
|
A2BCD
|
[
"F",
"O",
"Rh",
"Zr"
] |
[
0.2,
0.4,
0.2,
0.2
] |
[
40,
45,
8,
8,
9
] | 5
| 4
| 3
|
[
[
4.20032731,
0,
2.571958697781356e-16
],
[
6.754641483266338e-16,
4.20032731,
2.571958697781356e-16
],
[
0,
0,
4.20032731
]
] |
[
1,
1,
1
] |
[
true,
true,
true
] |
[
"carbon_x_99"
] | null | null | null | null |
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|
[
[
2.13403186,
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[
0.00111149,
0,
4.20032731
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[
2.09892762,
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[
0.01191608,
2.10016365,
2.10016365
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[
2.09725178,
0,
2.10016365
]
] |
End of preview. Expand
in Data Studio
Dataset Name
Perov-5 Polymorph Split
Citation
Please cite Martirossyan et al. (https://arxiv.org/abs/2509.12178) if your work utilizes this dataset.
Description
A new split of the perov-5 dataset which contains 18,928 perovskite structures within which there are only 9,646 unique compositions (9,282 compositions show up twice in the dataset, while 364 compositions show up once). The new splits ensure that polymorph pairs are grouped within the training, validation, and test sets.
The following dataset split has been cultivated from the perov-5 (Castelli 2011, doi: 10.1039/C1EE02717D; Castelli 2012, doi: 10.1039/C2EE22341D) dataset.
train.parquet: 11356 structures.
val.parquet: 3785 structures.
test.parquet: 3787 structures.
The 'supplemental' folder contain a map of material IDs from the original dataset at https://github.com/txie-93/cdvae.
License
CC-BY-4.0
- Downloads last month
- 14
Size of downloaded dataset files:
8.12 MB
Size of the auto-converted Parquet files:
8.12 MB
Number of rows:
18,928