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Below is a description of a material.
|
The chemical formula is: TiCo3.
The XRD pattern shows main peaks at: 40.9°(0.27), 44.5°(0.27), 46.9°(1.0), 62.1°(0.14), 74.5°(0.15), 83.7°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
|
JVASP-91939
|
4.07 5.09 5.09
119 90 90
Ti 0.750 0.667 0.333
Ti 0.250 0.333 0.667
Co 0.750 0.161 0.322
Co 0.750 0.161 0.839
Co 0.750 0.678 0.839
Co 0.250 0.839 0.678
Co 0.250 0.839 0.161
Co 0.250 0.322 0.161
|
Below is a description of a material.
|
The chemical formula is: C.
The XRD pattern shows main peaks at: 26.6°(1.0), 44.5°(0.16), 54.8°(0.07), 60.0°(0.05), 77.4°(0.06), 83.6°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
|
JVASP-14740
|
2.47 2.47 6.70
90 90 119
C 0.000 0.000 0.250
C 0.000 0.000 0.750
C 0.333 0.667 0.250
C 0.667 0.333 0.750
|
Below is a description of a material.
|
The chemical formula is: LiFeCoO4.
The XRD pattern shows main peaks at: 15.6°(0.35), 24.7°(0.45), 27.0°(0.21), 31.4°(0.6), 35.3°(0.07), 37.0°(1.0), 40.2°(0.06), 41.9°(0.06), 45.1°(0.1), 52.1°(0.1), 55.9°(0.17), 59.7°(0.29), 65.4°(0.42), 74.6°(0.06), 77.7°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
|
JVASP-47623
|
5.69 5.69 8.10
90 90 90
Li 0.000 0.242 0.000
Li 0.000 0.758 0.500
Li 0.242 0.000 0.250
Li 0.758 0.000 0.750
Fe 0.252 0.252 0.625
Fe 0.252 0.748 0.875
Fe 0.748 0.252 0.375
Fe 0.748 0.748 0.125
Co 0.757 0.500 0.750
Co 0.500 0.757 0.500
Co 0.500 0.243 0.000
Co 0.243 0.500 0.250
O 0.732 0.985 0.495
O 0.732 0.015 0.005
O 0.736 0.487 0.984
O 0.736 0.513 0.516
O 0.513 0.736 0.734
O 0.513 0.264 0.766
O 0.487 0.736 0.266
O 0.015 0.732 0.245
O 0.264 0.513 0.484
O 0.264 0.487 0.016
O 0.268 0.985 0.505
O 0.268 0.015 0.995
O 0.985 0.268 0.745
O 0.015 0.268 0.255
O 0.487 0.264 0.234
O 0.985 0.732 0.755
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Below is a description of a material.
|
The chemical formula is: BaNiF6.
The XRD pattern shows main peaks at: 24.2°(1.0), 29.0°(0.63), 38.1°(0.18), 39.5°(0.28), 42.5°(0.12), 45.6°(0.68), 49.5°(0.16), 54.1°(0.08), 64.1°(0.11), 65.7°(0.21), 77.8°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
|
JVASP-85447
|
4.86 4.86 4.86
98 98 98
Ba 0.500 0.500 0.500
Ni 0.000 0.000 0.000
F 0.733 0.733 0.074
F 0.733 0.074 0.733
F 0.267 0.926 0.267
F 0.267 0.267 0.926
F 0.926 0.267 0.267
F 0.074 0.733 0.733
|
Below is a description of a material.
|
The chemical formula is: Sr2H6Os.
The XRD pattern shows main peaks at: 20.2°(0.65), 33.3°(1.0), 39.2°(0.35), 47.8°(0.19), 52.4°(0.14), 59.4°(0.36), 63.5°(0.11), 69.9°(0.11), 73.6°(0.11), 79.6°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
|
JVASP-90336
|
5.39 5.39 5.39
60 60 60
Sr 0.250 0.250 0.250
Sr 0.750 0.750 0.750
H 0.771 0.229 0.229
H 0.771 0.229 0.771
H 0.771 0.771 0.229
H 0.229 0.771 0.771
H 0.229 0.771 0.229
H 0.229 0.229 0.771
Os 0.000 0.000 0.000
|
Below is a description of a material.
|
The chemical formula is: TiAlNi6.
The XRD pattern shows main peaks at: 43.9°(1.0), 51.0°(0.31), 51.6°(0.16), 75.0°(0.08), 75.5°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
|
JVASP-107736
|
3.58 3.58 7.09
90 90 90
Ti 0.000 0.000 0.500
Al 0.000 0.000 0.000
Ni 0.500 0.500 0.000
Ni 0.500 0.500 0.500
Ni 0.500 0.000 0.248
Ni 0.500 0.000 0.752
Ni 0.000 0.500 0.248
Ni 0.000 0.500 0.752
|
Below is a description of a material.
|
The chemical formula is: HfScCo2.
The XRD pattern shows main peaks at: 24.7°(0.37), 28.6°(0.1), 40.9°(1.0), 48.3°(0.18), 59.2°(0.16), 65.1°(0.08), 74.4°(0.32), 79.8°(0.06), 88.6°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
|
JVASP-41360
|
4.42 4.42 4.42
60 60 60
Hf 0.250 0.250 0.250
Sc 0.750 0.750 0.750
Co 0.500 0.500 0.500
Co 0.000 0.000 0.000
|
Below is a description of a material.
|
The chemical formula is: LiFe2O2F3.
The XRD pattern shows main peaks at: 8.4°(1.0), 18.4°(0.23), 19.9°(0.06), 20.7°(0.11), 25.9°(0.6), 27.1°(0.32), 30.7°(0.27), 32.4°(0.14), 34.1°(0.08), 36.9°(0.07), 38.1°(0.15), 44.6°(0.1), 46.9°(0.16), 49.4°(0.21), 50.2°(0.23), 52.4°(0.07), 59.4°(0.07), 61.5°(0.09), 70.5°(0.09), 73.5°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
|
JVASP-42721
|
3.69 5.17 10.53
92 89 110
Li 0.859 0.722 0.953
Li 0.138 0.281 0.048
Fe 0.863 0.732 0.534
Fe 0.829 0.662 0.242
Fe 0.168 0.341 0.758
Fe 0.133 0.272 0.466
O 0.967 0.940 0.374
O 0.312 0.629 0.561
O 0.685 0.375 0.439
O 0.029 0.064 0.626
F 0.963 0.930 0.118
F 0.299 0.603 0.913
F 0.736 0.477 0.738
F 0.261 0.527 0.262
F 0.697 0.400 0.087
F 0.034 0.073 0.883
|
Below is a description of a material.
|
The chemical formula is: BeTl4W.
The XRD pattern shows main peaks at: 18.2°(0.48), 21.0°(0.09), 29.9°(0.09), 35.2°(1.0), 36.8°(0.62), 42.8°(0.19), 46.9°(0.12), 56.6°(0.35), 62.1°(0.32), 65.3°(0.1), 73.5°(0.12), 74.5°(0.25), 81.3°(0.06), 89.0°(0.22).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
|
JVASP-65102
|
5.98 5.98 5.98
60 60 60
Be 0.000 0.000 0.000
Tl 0.125 0.625 0.625
Tl 0.625 0.625 0.625
Tl 0.625 0.125 0.625
Tl 0.625 0.625 0.125
W 0.250 0.250 0.250
|
Below is a description of a material.
|
The chemical formula is: Ni2Sn4Au.
The XRD pattern shows main peaks at: 9.8°(0.1), 24.2°(0.22), 29.2°(1.0), 35.9°(0.12), 41.3°(0.87), 42.1°(0.96), 44.2°(0.14), 52.0°(0.22), 60.4°(0.26), 69.1°(0.21), 76.4°(0.29), 77.0°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
|
JVASP-86779
|
9.35 9.35 9.35
26 26 26
Ni 0.600 0.600 0.600
Ni 0.400 0.400 0.400
Sn 0.700 0.700 0.700
Sn 0.889 0.889 0.889
Sn 0.300 0.300 0.300
Sn 0.111 0.111 0.111
Au 0.500 0.500 0.500
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Below is a description of a material.
|
The chemical formula is: NdMgSi2.
The XRD pattern shows main peaks at: 9.6°(0.26), 19.3°(0.16), 20.9°(0.26), 24.1°(0.23), 26.9°(0.41), 30.0°(0.26), 33.0°(1.0), 34.0°(0.08), 42.3°(0.39), 52.1°(0.05), 58.2°(0.05), 61.4°(0.12), 71.5°(0.22).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
|
JVASP-86678
|
4.27 4.27 18.68
96 96 90
Nd 0.703 0.953 0.905
Nd 0.547 0.797 0.595
Nd 0.453 0.203 0.405
Nd 0.297 0.047 0.095
Mg 0.625 0.375 0.750
Mg 0.875 0.125 0.250
Mg 0.375 0.625 0.250
Mg 0.125 0.875 0.750
Si 0.077 0.327 0.655
Si 0.764 0.514 0.029
Si 0.173 0.423 0.845
Si 0.923 0.673 0.345
Si 0.986 0.736 0.471
Si 0.827 0.577 0.155
Si 0.014 0.264 0.529
Si 0.236 0.486 0.971
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Below is a description of a material.
|
The chemical formula is: Ba4LaGe.
The XRD pattern shows main peaks at: 15.1°(0.13), 24.8°(0.18), 29.1°(1.0), 30.4°(0.45), 35.3°(0.09), 43.6°(0.09), 46.4°(0.37), 50.8°(0.32), 59.6°(0.13), 60.4°(0.19), 71.2°(0.23), 82.0°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
|
JVASP-64585
|
7.19 7.19 7.19
60 60 60
Ba 0.130 0.623 0.623
Ba 0.623 0.623 0.623
Ba 0.623 0.130 0.623
Ba 0.623 0.623 0.130
La 0.000 0.000 0.000
Ge 0.250 0.250 0.250
|
Below is a description of a material.
|
The chemical formula is: Ce2Nd2O7.
The XRD pattern shows main peaks at: 27.8°(1.0), 32.2°(0.31), 46.2°(0.48), 54.8°(0.45), 57.5°(0.1), 67.5°(0.07), 74.5°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
|
JVASP-49949
|
7.85 7.85 7.85
60 90 120
Ce 0.000 0.000 0.000
Ce 0.500 0.500 0.000
Ce -0.000 0.500 0.000
Ce 0.000 0.000 0.500
Nd 0.500 0.000 0.000
Nd 0.500 0.000 0.500
Nd 0.500 0.500 0.500
Nd 0.000 0.500 0.500
O 0.347 0.250 0.903
O 0.653 0.750 0.653
O 0.375 0.750 0.375
O 0.097 0.195 0.653
O 0.097 0.750 0.097
O 0.625 0.250 0.625
O 0.653 0.750 0.097
O 0.903 0.250 0.903
O 0.347 0.250 0.347
O 0.347 0.695 0.903
O 0.653 0.305 0.097
O 0.903 0.250 0.347
O 0.903 0.805 0.347
O 0.097 0.750 0.653
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Below is a description of a material.
|
The chemical formula is: YbIn2Pt.
The XRD pattern shows main peaks at: 17.3°(0.15), 22.0°(0.18), 31.5°(0.97), 35.2°(1.0), 36.8°(0.37), 37.8°(0.18), 40.4°(0.56), 41.5°(0.46), 44.9°(0.18), 47.8°(0.18), 56.6°(0.21), 57.4°(0.1), 60.3°(0.13), 62.8°(0.14), 67.7°(0.23), 69.5°(0.1), 71.6°(0.12), 74.4°(0.1), 83.6°(0.1), 84.7°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
|
JVASP-91746
|
4.35 5.57 8.07
90 90 112
Yb 0.431 0.861 0.250
Yb 0.569 0.139 0.750
In 0.141 0.283 0.449
In 0.859 0.717 0.551
In 0.141 0.283 0.051
In 0.859 0.717 0.949
Pt 0.719 0.439 0.250
Pt 0.281 0.561 0.750
|
Below is a description of a material.
|
The chemical formula is: KGaCl4.
The XRD pattern shows main peaks at: 13.0°(0.19), 15.3°(0.4), 18.6°(0.28), 24.0°(1.0), 26.2°(0.27), 27.8°(0.35), 29.0°(0.14), 30.6°(0.1), 31.7°(0.22), 32.2°(0.29), 35.9°(0.27), 37.1°(0.12), 38.7°(0.36), 39.4°(0.14), 41.8°(0.16), 42.8°(0.14), 47.2°(0.23), 49.0°(0.18), 53.8°(0.12), 55.1°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
|
JVASP-97379
|
7.28 9.56 9.69
90 90 90
K 0.319 0.251 0.751
K 0.181 0.249 0.251
K 0.681 0.749 0.249
K 0.819 0.751 0.749
Ga 0.750 0.183 0.001
Ga 0.250 0.817 0.999
Ga 0.250 0.683 0.499
Ga 0.750 0.317 0.501
Cl 0.833 0.054 0.179
Cl 0.667 0.446 0.679
Cl 0.167 0.946 0.821
Cl 0.333 0.554 0.321
Cl 0.334 0.946 0.177
Cl 0.989 0.182 0.545
Cl 0.511 0.318 0.045
Cl 0.010 0.682 0.044
Cl 0.490 0.818 0.544
Cl -0.010 0.318 -0.044
Cl 0.510 0.182 0.456
Cl 0.834 0.446 0.323
Cl 0.666 0.054 0.823
Cl 0.166 0.554 0.677
Cl 0.489 0.682 0.955
Cl 0.011 0.818 0.455
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Below is a description of a material.
|
The chemical formula is: LaZn5.
The XRD pattern shows main peaks at: 28.1°(0.32), 32.7°(0.29), 37.9°(0.33), 39.1°(1.0), 42.4°(0.25), 43.7°(0.13), 54.6°(0.13), 55.6°(0.11), 58.2°(0.2), 62.7°(0.22), 68.5°(0.18), 75.4°(0.13), 84.0°(0.2).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
|
JVASP-86369
|
5.48 5.48 4.26
90 90 120
La 0.000 0.000 0.000
Zn 0.000 0.500 0.500
Zn 0.333 0.667 0.000
Zn 0.667 0.333 0.000
Zn 0.500 0.000 0.500
Zn 0.500 0.500 0.500
|
Below is a description of a material.
|
The chemical formula is: Tc3Pd.
The XRD pattern shows main peaks at: 37.5°(0.23), 41.1°(0.24), 43.0°(1.0), 56.9°(0.14), 67.7°(0.15), 76.3°(0.17), 82.4°(0.18), 83.7°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
|
JVASP-91989
|
5.53 5.53 4.39
90 90 119
Tc 0.842 0.158 0.750
Tc 0.317 0.158 0.750
Tc 0.842 0.683 0.750
Tc 0.158 0.842 0.250
Tc 0.683 0.842 0.250
Tc 0.158 0.317 0.250
Pd 0.667 0.333 0.250
Pd 0.333 0.667 0.750
|
Below is a description of a material.
|
The chemical formula is: La4Ni3O8.
The XRD pattern shows main peaks at: 22.7°(0.18), 28.2°(0.1), 32.0°(0.46), 32.9°(1.0), 38.3°(0.12), 42.5°(0.19), 45.8°(0.32), 57.6°(0.39), 66.8°(0.09), 76.0°(0.08), 76.5°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
|
JVASP-86026
|
3.96 3.96 13.41
98 98 90
La 0.299 0.299 0.598
La 0.701 0.701 0.402
La 0.434 0.434 0.868
La 0.566 0.566 0.132
Ni 0.124 0.124 0.248
Ni 0.876 0.876 0.752
Ni 0.000 0.000 0.000
O 0.374 0.874 0.748
O 0.250 0.750 0.500
O 0.874 0.374 0.748
O 0.750 0.250 0.500
O 0.500 -0.000 0.000
O 0.626 0.126 0.252
O 0.126 0.626 0.252
O -0.000 0.500 0.000
|
Below is a description of a material.
|
The chemical formula is: Fe11Co5.
The XRD pattern shows main peaks at: 45.2°(1.0), 65.8°(0.11), 83.4°(0.26).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
|
JVASP-85365
|
5.68 5.68 5.67
90 90 90
Fe 0.250 0.250 0.250
Fe 0.250 0.750 0.750
Fe 0.750 0.250 0.250
Fe 0.750 0.250 0.750
Fe 0.500 0.500 0.000
Fe 0.250 0.750 0.250
Fe 0.250 0.250 0.750
Fe 0.750 0.750 0.250
Fe 0.500 0.500 0.500
Fe 0.000 0.000 0.500
Fe 0.750 0.750 0.750
Co 0.500 0.000 0.000
Co 0.000 0.500 0.500
Co 0.000 0.500 0.000
Co 0.000 0.000 0.000
Co 0.500 0.000 0.500
|
Below is a description of a material.
|
The chemical formula is: Mn6O7F5.
The XRD pattern shows main peaks at: 26.6°(1.0), 28.2°(0.93), 35.5°(0.97), 39.2°(0.14), 40.1°(0.14), 41.3°(0.18), 45.1°(0.05), 52.9°(0.37), 54.8°(0.68), 58.4°(0.16), 62.7°(0.09), 65.3°(0.07), 68.6°(0.27), 84.2°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
|
JVASP-42540
|
4.61 4.61 9.08
90 89 93
Mn 0.987 0.003 0.009
Mn 0.024 0.024 0.333
Mn 0.003 0.987 0.658
Mn 0.495 0.495 0.833
Mn 0.520 0.466 0.158
Mn 0.466 0.520 0.508
O 0.817 0.188 0.171
O 0.679 0.703 0.666
O 0.703 0.679 0.000
O 0.318 0.318 0.333
O 0.311 0.287 -0.000
O 0.188 0.817 0.496
O 0.287 0.311 0.667
F 0.780 0.225 0.498
F 0.225 0.780 0.169
F 0.186 0.804 0.844
F 0.708 0.708 0.333
F 0.804 0.186 0.823
|
Below is a description of a material.
|
The chemical formula is: TbB3O6.
The XRD pattern shows main peaks at: 18.0°(1.0), 21.3°(0.54), 22.8°(0.36), 29.2°(0.86), 31.4°(0.66), 35.5°(0.23), 36.5°(0.25), 37.4°(0.18), 42.6°(0.42), 43.5°(0.43), 46.0°(0.25), 49.6°(0.12), 50.3°(0.3), 51.9°(0.23), 53.3°(0.11), 56.0°(0.15), 58.7°(0.2), 60.6°(0.13), 61.3°(0.13), 62.5°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
|
JVASP-88121
|
6.10 7.80 8.32
90 90 90
Tb 0.492 0.250 0.499
Tb 0.508 0.750 0.501
Tb 0.008 0.750 0.999
Tb 0.992 0.250 0.001
B 0.119 0.506 0.315
B 0.119 0.995 0.685
B 0.989 0.250 0.499
B 0.381 0.005 0.185
B 0.381 0.494 0.815
B 0.489 0.250 0.001
B 0.619 0.506 0.185
B 0.619 0.995 0.815
B 0.511 0.750 0.999
B 0.011 0.750 0.501
B 0.881 0.494 0.685
B 0.881 0.005 0.315
O 0.063 0.007 0.840
O 0.437 0.505 0.660
O 0.563 0.495 0.340
O 0.840 0.333 0.615
O 0.660 0.667 0.115
O 0.063 0.495 0.160
O 0.142 0.365 0.416
O 0.858 0.635 0.584
O 0.937 0.505 0.840
O 0.437 0.993 0.340
O 0.358 0.865 0.082
O 0.160 0.833 0.616
O 0.340 0.333 0.885
O 0.340 0.167 0.116
O 0.840 0.167 0.384
O 0.160 0.667 0.385
O 0.660 0.833 0.884
O 0.642 0.365 0.084
O 0.642 0.135 0.918
O 0.358 0.635 0.916
O 0.858 0.865 0.418
O 0.937 0.993 0.160
O 0.142 0.135 0.582
O 0.563 0.007 0.660
|
Below is a description of a material.
|
The chemical formula is: VOF3.
The XRD pattern shows main peaks at: 15.6°(0.5), 19.3°(0.96), 24.9°(1.0), 27.6°(0.65), 35.3°(0.11), 37.1°(0.2), 37.8°(0.16), 39.1°(0.16), 41.1°(0.08), 45.1°(0.65), 46.3°(0.29), 50.0°(0.11), 52.1°(0.16), 59.7°(0.09), 63.5°(0.26), 65.6°(0.15), 66.5°(0.25), 69.1°(0.07), 81.3°(0.07), 84.0°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
|
JVASP-48645
|
5.69 5.69 7.85
90 90 90
V 0.001 0.288 0.022
V 0.288 -0.001 0.772
V 0.712 0.001 0.272
V -0.001 0.712 0.522
O 0.032 0.757 0.732
O 0.243 0.032 0.982
O 0.757 0.968 0.482
O 0.968 0.243 0.232
F 0.770 0.512 0.510
F 0.783 0.015 0.015
F 0.526 0.768 0.223
F 0.512 0.230 0.260
F 0.488 0.770 0.760
F 0.232 0.526 0.473
F 0.217 0.985 0.515
F 0.230 0.488 0.010
F 0.768 0.474 0.973
F 0.015 0.217 0.765
F 0.474 0.232 0.723
F 0.985 0.783 0.265
|
Below is a description of a material.
|
The chemical formula is: PrAlH6.
The XRD pattern shows main peaks at: 21.2°(0.81), 27.5°(1.0), 32.7°(0.61), 35.0°(0.23), 43.3°(0.3), 45.0°(0.24), 48.6°(0.2), 52.0°(0.48), 56.7°(0.14), 61.4°(0.11), 67.0°(0.15), 75.4°(0.12), 77.9°(0.09), 80.5°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
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JVASP-90812
|
4.29 4.29 4.29
98 98 98
Pr 0.500 0.500 0.500
Al 0.000 0.000 0.000
H 0.937 0.294 0.294
H 0.294 0.294 0.937
H 0.294 0.937 0.294
H 0.063 0.706 0.706
H 0.706 0.706 0.063
H 0.706 0.063 0.706
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Below is a description of a material.
|
The chemical formula is: Li2Mn2F7.
The XRD pattern shows main peaks at: 14.1°(0.97), 14.9°(1.0), 18.4°(0.08), 21.8°(0.32), 22.5°(0.31), 22.8°(0.31), 25.7°(0.63), 26.8°(0.11), 30.3°(0.2), 31.0°(0.23), 33.1°(0.2), 34.0°(0.26), 39.6°(0.56), 43.1°(0.46), 43.5°(0.13), 46.4°(0.41), 60.0°(0.17), 62.3°(0.11), 62.9°(0.08), 64.6°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
|
JVASP-48922
|
5.39 6.69 8.47
109 102 84
Li 0.671 0.250 0.911
Li 0.136 0.012 0.740
Li 0.864 0.988 0.260
Li 0.329 0.750 0.089
Mn 0.726 0.726 0.828
Mn 0.209 0.469 0.662
Mn 0.791 0.531 0.338
Mn 0.274 0.274 0.172
F 0.419 0.564 0.215
F 0.898 0.803 0.381
F 0.667 0.249 0.302
F 0.156 0.004 0.173
F 0.194 0.401 0.413
F 0.806 0.599 0.587
F 0.581 0.436 0.785
F 0.333 0.751 0.698
F 0.102 0.197 0.619
F 0.901 0.400 0.113
F 0.099 0.600 0.887
F 0.362 0.173 0.946
F 0.844 0.996 0.827
F 0.638 0.827 0.054
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Below is a description of a material.
|
The chemical formula is: P6H24N6O19.
The XRD pattern shows main peaks at: 13.5°(1.0), 20.1°(0.31), 21.3°(0.62), 23.3°(0.16), 24.4°(0.22), 27.1°(0.08), 29.5°(0.22), 31.0°(0.46), 31.7°(0.17), 34.0°(0.37), 35.2°(0.09), 42.9°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
|
JVASP-88347
|
9.18 9.18 9.18
112 112 112
P 0.220 0.123 0.866
P 0.123 0.866 0.220
P 0.866 0.220 0.123
P 0.780 0.877 0.134
P 0.877 0.134 0.780
P 0.134 0.780 0.877
H 0.635 0.518 0.218
H 0.482 0.782 0.365
H 0.782 0.365 0.482
H 0.365 0.482 0.782
H 0.353 0.539 0.154
H 0.154 0.353 0.539
H 0.218 0.635 0.518
H 0.846 0.647 0.461
H 0.647 0.461 0.846
H 0.539 0.154 0.353
H 0.518 0.218 0.635
H 0.461 0.846 0.647
H 0.775 0.380 0.802
H 0.802 0.775 0.380
H 0.620 0.198 0.225
H 0.225 0.620 0.198
H 0.198 0.225 0.620
H 0.354 0.712 0.125
H 0.125 0.354 0.712
H 0.712 0.125 0.354
H 0.646 0.288 0.875
H 0.380 0.802 0.775
H 0.875 0.646 0.288
H 0.288 0.875 0.646
N 0.212 0.355 0.663
N 0.663 0.212 0.355
N 0.355 0.663 0.212
N 0.645 0.337 0.788
N 0.337 0.788 0.645
N 0.788 0.645 0.337
O 0.954 0.303 0.769
O 0.966 0.241 0.014
O 0.014 0.966 0.241
O 0.759 0.986 0.034
O 0.034 0.759 0.986
O 0.986 0.034 0.759
O 0.303 0.769 0.954
O 0.769 0.954 0.303
O 0.364 0.346 0.039
O 0.046 0.697 0.231
O 0.231 0.046 0.697
O 0.961 0.636 0.654
O 0.654 0.961 0.636
O 0.636 0.654 0.961
O 0.039 0.364 0.346
O 0.346 0.039 0.364
O 0.241 0.014 0.966
O 0.697 0.231 0.046
O 0.500 0.500 0.500
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Below is a description of a material.
|
The chemical formula is: RbAlO3.
The XRD pattern shows main peaks at: 22.6°(0.21), 32.2°(1.0), 39.8°(0.45), 46.2°(0.49), 52.1°(0.11), 57.5°(0.42), 67.5°(0.27), 72.2°(0.06), 76.7°(0.17), 81.2°(0.12), 85.7°(0.1).
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|
JVASP-38346
|
3.93 3.93 3.93
90 90 90
Rb 0.000 0.000 0.000
Al 0.500 0.500 0.500
O 0.500 0.500 0.000
O 0.000 0.500 0.500
O 0.500 0.000 0.500
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Below is a description of a material.
|
The chemical formula is: Ba2MgH6.
The XRD pattern shows main peaks at: 17.9°(0.28), 26.7°(1.0), 31.3°(0.54), 39.8°(0.07), 41.6°(0.32), 44.0°(0.12), 51.5°(0.17), 52.9°(0.29), 54.9°(0.06), 55.7°(0.1), 64.5°(0.07), 65.3°(0.07), 70.6°(0.07), 71.8°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
|
JVASP-85665
|
5.72 5.72 4.53
89 89 119
Ba 0.667 0.333 0.267
Ba 0.333 0.667 0.733
Mg 0.000 0.000 0.000
H 0.829 0.659 0.773
H 0.829 0.171 0.773
H 0.341 0.171 0.773
H 0.171 0.341 0.227
H 0.171 0.829 0.227
H 0.659 0.829 0.227
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Below is a description of a material.
|
The chemical formula is: LiYO3.
The XRD pattern shows main peaks at: 24.4°(0.87), 34.7°(1.0), 42.9°(0.97), 49.9°(0.55), 56.3°(0.39), 62.2°(0.37), 73.3°(0.28), 78.5°(0.19), 83.7°(0.17), 88.8°(0.3).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
|
JVASP-38540
|
3.65 3.65 3.65
90 90 90
Li 0.500 0.500 0.500
Y 0.000 0.000 0.000
O 0.500 0.500 0.000
O 0.500 0.000 0.500
O 0.000 0.500 0.500
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Below is a description of a material.
|
The chemical formula is: Tl6TeO6.
The XRD pattern shows main peaks at: 25.1°(0.44), 29.5°(1.0), 33.0°(0.67), 44.6°(0.36), 50.1°(0.23), 51.9°(0.21), 56.8°(0.31), 59.2°(0.14), 61.3°(0.12), 68.6°(0.09), 69.3°(0.08), 74.9°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
|
JVASP-4591
|
6.60 6.60 6.60
93 93 93
Tl 0.725 0.432 0.858
Tl 0.432 0.858 0.725
Tl 0.858 0.725 0.432
Tl 0.275 0.568 0.142
Tl 0.568 0.142 0.275
Tl 0.142 0.275 0.568
Te 0.000 0.000 0.000
O 0.036 0.954 0.707
O 0.954 0.707 0.036
O 0.707 0.036 0.954
O 0.964 0.046 0.293
O 0.046 0.293 0.964
O 0.293 0.964 0.046
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Below is a description of a material.
|
The chemical formula is: RePbClO4.
The XRD pattern shows main peaks at: 18.8°(0.11), 24.4°(0.98), 25.3°(1.0), 27.5°(0.76), 31.1°(0.45), 31.7°(0.21), 32.4°(0.14), 38.4°(0.13), 40.6°(0.23), 41.3°(0.16), 42.0°(0.49), 46.3°(0.19), 47.9°(0.34), 51.4°(0.14), 52.0°(0.31), 55.1°(0.11), 66.2°(0.16), 67.5°(0.12), 71.8°(0.12), 73.5°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
|
JVASP-86570
|
4.45 5.75 9.46
90 90 90
Re 0.246 0.000 0.130
Re 0.746 0.500 0.870
Pb 0.711 0.500 0.324
Pb 0.211 0.000 0.676
Cl 0.667 0.000 0.461
Cl 0.167 0.500 0.539
O 0.640 0.245 0.778
O 0.140 0.745 0.222
O 0.629 0.500 0.047
O 0.637 0.000 0.128
O 0.640 0.755 0.778
O 0.140 0.255 0.222
O 0.129 0.000 0.953
O 0.137 0.500 0.872
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Below is a description of a material.
|
The chemical formula is: RbF3.
The XRD pattern shows main peaks at: 21.9°(0.69), 31.2°(0.59), 38.5°(1.0), 44.7°(0.49), 50.3°(0.3), 55.5°(0.23), 65.1°(0.28), 69.6°(0.16), 73.9°(0.1), 78.2°(0.31), 82.4°(0.09), 86.6°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
|
JVASP-38312
|
4.05 4.05 4.05
90 90 90
Rb 0.000 0.000 0.000
F 0.000 0.500 0.500
F 0.500 0.000 0.500
F 0.500 0.500 0.000
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Below is a description of a material.
|
The chemical formula is: RbBi.
The XRD pattern shows main peaks at: 13.1°(0.63), 13.9°(0.45), 14.7°(0.32), 16.9°(0.63), 18.2°(0.67), 18.9°(0.36), 20.8°(0.46), 25.6°(0.84), 26.3°(1.0), 26.7°(0.56), 27.1°(0.47), 28.3°(0.97), 29.4°(0.73), 30.5°(0.44), 31.0°(0.26), 31.8°(0.49), 34.2°(0.28), 35.6°(0.72), 37.7°(0.54), 49.1°(0.22).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
|
JVASP-98226
|
7.51 13.95 14.81
113 90 90
Rb 0.132 0.550 0.848
Rb 0.630 0.359 0.881
Rb 0.870 0.859 0.881
Rb 0.370 0.641 0.119
Rb 0.301 0.034 0.394
Rb 0.801 0.466 0.606
Rb 0.699 0.966 0.606
Rb 0.199 0.534 0.394
Rb 0.130 0.141 0.119
Rb 0.575 0.312 0.344
Rb 0.925 0.812 0.344
Rb 0.425 0.688 0.656
Rb 0.368 0.050 0.848
Rb 0.868 0.450 0.152
Rb 0.632 0.950 0.152
Rb 0.075 0.188 0.656
Bi 0.354 0.817 0.928
Bi 0.854 0.683 0.072
Bi 0.383 0.366 0.110
Bi 0.883 0.134 0.890
Bi 0.617 0.634 0.890
Bi 0.117 0.866 0.110
Bi 0.066 0.270 0.394
Bi 0.434 0.770 0.394
Bi 0.934 0.730 0.606
Bi 0.297 0.385 0.577
Bi 0.797 0.115 0.423
Bi 0.703 0.615 0.423
Bi 0.203 0.885 0.577
Bi 0.146 0.317 0.928
Bi 0.566 0.230 0.606
Bi 0.646 0.183 0.072
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Below is a description of a material.
|
The chemical formula is: KH2I3O.
The XRD pattern shows main peaks at: 13.7°(0.27), 20.7°(0.12), 21.6°(0.81), 22.9°(0.19), 27.7°(1.0), 28.1°(0.14), 28.9°(0.98), 29.5°(0.26), 36.0°(0.22), 37.6°(0.11), 38.4°(0.18), 39.5°(0.13), 41.1°(0.18), 42.4°(0.21), 43.5°(0.19), 44.1°(0.14), 46.2°(0.12), 53.6°(0.09), 58.1°(0.11), 64.3°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
|
JVASP-85785
|
4.58 9.99 9.40
90 116 90
K 0.024 0.239 0.616
K 0.024 0.761 0.116
H 0.738 0.194 0.874
H 0.738 0.806 0.374
H 0.708 0.349 0.847
H 0.708 0.651 0.347
I 0.343 0.536 0.910
I 0.343 0.464 0.410
I 0.376 0.755 0.700
I 0.376 0.245 0.200
I 0.394 0.975 0.490
I 0.394 0.025 0.990
O 0.690 0.263 0.792
O 0.690 0.737 0.292
|
Below is a description of a material.
|
The chemical formula is: HoCoSi2.
The XRD pattern shows main peaks at: 21.8°(0.4), 22.8°(0.24), 24.9°(0.36), 31.4°(0.24), 32.2°(0.82), 35.5°(0.76), 35.8°(1.0), 40.2°(0.42), 42.3°(0.12), 45.2°(0.34), 45.7°(0.3), 50.3°(0.19), 55.7°(0.23), 59.1°(0.35), 62.1°(0.22), 66.2°(0.21), 69.9°(0.13), 74.7°(0.18), 77.3°(0.12), 78.0°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
|
JVASP-87103
|
3.97 4.01 8.40
103 90 90
Ho 0.250 0.892 0.784
Ho 0.750 0.108 0.216
Co 0.250 0.679 0.357
Co 0.750 0.321 0.643
Si 0.750 0.750 0.500
Si 0.250 0.250 0.500
Si 0.750 0.457 0.915
Si 0.250 0.543 0.085
|
Below is a description of a material.
|
The chemical formula is: RbLiO3.
The XRD pattern shows main peaks at: 21.6°(0.78), 30.8°(0.97), 38.0°(1.0), 44.1°(0.61), 49.6°(0.36), 54.8°(0.37), 64.1°(0.31), 68.6°(0.18), 72.8°(0.17), 77.0°(0.32), 81.1°(0.11), 85.2°(0.1), 89.3°(0.2).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
|
JVASP-38306
|
4.11 4.11 4.11
90 90 90
Rb 0.000 0.000 0.000
Li 0.500 0.500 0.500
O 0.500 0.500 0.000
O 0.500 0.000 0.500
O 0.000 0.500 0.500
|
Below is a description of a material.
|
The chemical formula is: V2O3F.
The XRD pattern shows main peaks at: 26.8°(1.0), 27.6°(1.0), 36.4°(0.92), 38.8°(0.11), 41.1°(0.2), 41.7°(0.21), 53.8°(0.45), 54.7°(0.53), 55.2°(0.16), 56.9°(0.19), 63.8°(0.17), 68.6°(0.2), 70.9°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
|
JVASP-42221
|
4.64 5.83 9.74
107 91 90
V 0.542 0.856 0.233
V 0.488 0.139 0.745
V 0.464 0.395 0.270
V 0.470 0.609 0.751
V 0.984 0.239 0.494
V 0.014 0.503 0.991
V 0.045 -0.006 0.005
V 0.998 0.765 0.507
O 0.792 0.053 0.602
O 0.810 0.798 0.096
O 0.702 0.677 0.353
O 0.702 0.428 0.848
O 0.688 0.172 0.346
O 0.284 0.322 0.645
O 0.306 0.827 0.655
O 0.309 0.079 0.156
O 0.199 0.198 0.902
O 0.209 0.701 0.899
O 0.186 0.458 0.407
O 0.301 0.574 0.149
F 0.790 0.550 0.602
F 0.205 0.945 0.394
F 0.704 0.922 0.850
F 0.806 0.296 0.098
|
Below is a description of a material.
|
The chemical formula is: LiHS.
The XRD pattern shows main peaks at: 27.2°(1.0), 29.4°(0.19), 32.4°(0.19), 44.3°(0.28), 46.5°(0.13), 50.8°(0.15), 54.7°(0.22), 56.0°(0.08), 71.3°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
|
JVASP-85713
|
6.08 3.90 7.80
90 90 90
Li 0.250 0.505 0.247
Li 0.750 0.505 0.247
Li 0.750 0.495 0.747
Li 0.250 0.495 0.747
H 0.000 -0.002 0.936
H 0.000 0.002 0.436
H 0.500 0.882 0.502
H 0.500 0.118 0.002
S 0.000 -0.006 0.763
S 0.000 0.006 0.263
S 0.500 0.536 0.498
S 0.500 0.464 0.998
|
Below is a description of a material.
|
The chemical formula is: MnSe2O6.
The XRD pattern shows main peaks at: 18.0°(1.0), 25.0°(0.81), 25.3°(0.85), 27.8°(0.44), 29.5°(0.25), 32.8°(0.1), 33.2°(0.14), 34.3°(0.24), 35.1°(0.29), 39.6°(0.1), 40.5°(0.17), 41.3°(0.24), 43.6°(0.21), 44.5°(0.38), 51.3°(0.1), 51.9°(0.15), 56.1°(0.1), 56.8°(0.14), 67.5°(0.12), 68.3°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
|
JVASP-87207
|
5.11 6.65 7.32
90 90 90
Mn 0.000 0.000 0.000
Mn 0.500 0.500 0.500
Se 0.484 0.824 0.805
Se 0.984 0.676 0.305
Se 0.516 0.176 0.195
Se 0.016 0.324 0.695
O 0.802 0.228 0.079
O 0.698 0.728 0.421
O 0.695 0.837 0.998
O 0.556 0.575 0.748
O 0.195 0.663 0.498
O 0.302 0.272 0.579
O 0.198 0.772 0.921
O 0.056 0.925 0.248
O 0.444 0.425 0.252
O 0.944 0.075 0.752
O 0.305 0.163 0.002
O 0.805 0.337 0.502
|
Below is a description of a material.
|
The chemical formula is: UInPt.
The XRD pattern shows main peaks at: 24.0°(0.1), 27.8°(0.12), 32.4°(0.83), 35.4°(1.0), 37.1°(0.33), 42.3°(0.28), 43.2°(0.24), 43.6°(0.27), 49.2°(0.08), 56.2°(0.16), 58.6°(0.16), 62.4°(0.18), 67.5°(0.27), 73.0°(0.08), 74.7°(0.11), 77.9°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
|
JVASP-90168
|
4.15 7.41 7.41
120 90 90
U 0.500 0.584 -0.000
U 0.500 0.416 0.416
U 0.500 1.000 0.584
In 0.000 0.250 -0.000
In 0.000 0.750 0.750
In 0.000 1.000 0.250
Pt 0.000 0.333 0.667
Pt 0.000 0.667 0.333
Pt 0.500 0.000 0.000
|
Below is a description of a material.
|
The chemical formula is: TiFeCoAs.
The XRD pattern shows main peaks at: 43.8°(1.0), 63.7°(0.16), 80.6°(0.29).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
|
JVASP-37035
|
4.13 4.13 4.13
60 60 60
Ti 0.500 0.500 0.500
Fe 0.750 0.750 0.750
Co 0.250 0.250 0.250
As 0.000 0.000 0.000
|
Below is a description of a material.
|
The chemical formula is: Yb2InCu2.
The XRD pattern shows main peaks at: 26.8°(0.22), 29.4°(0.09), 34.1°(0.79), 36.3°(1.0), 38.3°(0.44), 43.9°(0.07), 49.0°(0.18), 50.7°(0.17), 52.2°(0.05), 56.8°(0.26), 58.2°(0.18), 61.1°(0.06), 63.9°(0.17), 69.3°(0.13), 73.2°(0.18), 74.5°(0.08), 77.0°(0.05), 83.2°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
|
JVASP-97801
|
3.72 7.43 7.43
90 90 90
Yb 0.500 0.177 0.677
Yb 0.500 0.323 0.177
Yb 0.500 0.677 0.823
Yb 0.500 0.823 0.323
In 0.000 0.000 0.000
In 0.000 0.500 0.500
Cu 0.000 0.382 0.882
Cu 0.000 0.118 0.382
Cu 0.000 0.882 0.618
Cu 0.000 0.618 0.118
|
Below is a description of a material.
|
The chemical formula is: BeNi4Ru.
The XRD pattern shows main peaks at: 23.6°(0.35), 27.3°(0.24), 39.0°(0.22), 46.1°(1.0), 48.2°(0.51), 56.3°(0.07), 61.9°(0.07), 63.7°(0.08), 70.6°(0.08), 75.6°(0.32), 83.7°(0.25).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
|
JVASP-64946
|
4.62 4.62 4.62
60 60 60
Be 0.000 0.000 0.000
Ni 0.124 0.625 0.625
Ni 0.625 0.625 0.124
Ni 0.625 0.625 0.625
Ni 0.625 0.124 0.625
Ru 0.250 0.250 0.250
|
Below is a description of a material.
|
The chemical formula is: Eu2I2O.
The XRD pattern shows main peaks at: 24.0°(0.12), 24.7°(0.08), 28.9°(0.5), 29.4°(1.0), 30.5°(0.56), 35.0°(0.27), 36.0°(0.61), 37.9°(0.07), 39.2°(0.1), 42.6°(0.38), 46.9°(0.14), 49.2°(0.07), 53.6°(0.2), 57.9°(0.19), 59.0°(0.09), 63.6°(0.22), 71.3°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
|
JVASP-85922
|
5.86 7.41 7.77
118 112 90
Eu 0.899 0.568 0.797
Eu 0.601 0.771 0.203
Eu 0.399 0.229 0.797
Eu 0.101 0.432 0.203
I 0.140 0.002 0.281
I 0.640 0.278 0.281
I 0.360 0.722 0.719
I 0.860 0.998 0.719
O 0.750 0.500 0.000
O 0.250 0.500 0.000
|
Below is a description of a material.
|
The chemical formula is: NaH2SO4.
The XRD pattern shows main peaks at: 11.8°(0.26), 16.7°(0.39), 18.2°(0.62), 21.9°(0.26), 23.3°(1.0), 23.8°(0.46), 27.6°(0.32), 30.0°(0.56), 30.3°(0.7), 33.7°(0.9), 36.9°(0.33), 37.9°(0.36), 39.0°(0.19), 45.8°(0.13), 49.1°(0.13), 51.5°(0.16), 52.3°(0.23), 52.9°(0.1), 58.6°(0.12), 70.9°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
|
JVASP-98932
|
6.42 10.64 10.52
90 90 90
Na 0.564 0.059 0.654
Na 0.064 0.441 0.846
Na 0.436 0.559 0.346
Na 0.936 0.941 0.154
Na 0.436 0.941 0.346
Na 0.936 0.559 0.154
Na 0.564 0.441 0.654
Na 0.064 0.059 0.846
H 0.216 0.125 0.227
H 0.716 0.375 0.273
H 0.784 0.625 0.773
H 0.284 0.875 0.727
H 0.784 0.875 0.773
H 0.284 0.625 0.727
H 0.216 0.375 0.227
H 0.716 0.125 0.273
H 0.681 0.568 0.895
H 0.819 0.432 0.395
H 0.181 0.932 0.605
H 0.681 0.932 0.895
H 0.181 0.568 0.605
H 0.319 0.432 0.105
H 0.819 0.068 0.395
H 0.319 0.068 0.105
S 0.992 0.250 0.592
S 0.508 0.750 0.092
S 0.492 0.250 0.908
S 0.008 0.750 0.408
S 0.246 0.750 0.954
S 0.254 0.250 0.454
S 0.754 0.250 0.046
S 0.746 0.750 0.546
O 0.620 0.867 0.062
O 0.120 0.633 0.438
O 0.380 0.367 0.938
O 0.880 0.133 0.562
O 0.585 0.250 0.780
O 0.085 0.250 0.720
O 0.915 0.750 0.280
O 0.756 0.045 0.314
O 0.256 0.455 0.186
O 0.244 0.545 0.686
O 0.744 0.955 0.814
O 0.244 0.955 0.686
O 0.744 0.545 0.814
O 0.415 0.750 0.220
O 0.120 0.867 0.438
O 0.880 0.367 0.562
O 0.380 0.133 0.938
O 0.857 0.750 0.669
O 0.357 0.750 0.831
O 0.143 0.250 0.331
O 0.643 0.250 0.169
O 0.371 0.134 0.478
O 0.871 0.366 0.022
O 0.629 0.634 0.522
O 0.129 0.866 0.978
O 0.629 0.866 0.522
O 0.129 0.634 0.978
O 0.371 0.366 0.478
O 0.871 0.134 0.022
O 0.756 0.455 0.314
O 0.620 0.633 0.062
O 0.256 0.045 0.186
|
Below is a description of a material.
|
The chemical formula is: Ag3O4.
The XRD pattern shows main peaks at: 19.1°(0.13), 27.2°(0.73), 28.1°(0.27), 32.5°(0.43), 32.8°(0.42), 33.2°(1.0), 35.1°(0.42), 35.9°(0.2), 37.2°(0.3), 39.0°(0.43), 39.5°(0.12), 40.9°(0.13), 51.4°(0.2), 53.7°(0.19), 56.0°(0.16), 58.4°(0.3), 62.4°(0.15), 64.0°(0.12), 66.9°(0.15), 68.7°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
|
JVASP-85852
|
3.63 5.71 9.30
90 90 105
Ag 0.286 0.549 0.858
Ag 0.714 0.951 0.358
Ag 0.714 0.451 0.142
Ag 0.286 0.049 0.642
Ag 0.000 0.500 0.500
Ag 0.000 0.000 0.000
O 0.043 0.329 0.691
O 0.957 0.171 0.191
O 0.957 0.671 0.309
O 0.043 0.829 0.809
O 0.479 0.273 0.954
O 0.521 0.227 0.454
O 0.479 0.773 0.546
O 0.521 0.727 0.046
|
Below is a description of a material.
|
The chemical formula is: CeN.
The XRD pattern shows main peaks at: 30.8°(1.0), 35.7°(0.77), 51.3°(0.54), 61.0°(0.44), 64.1°(0.18), 75.5°(0.08), 86.4°(0.23).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
|
JVASP-14575
|
3.56 3.56 3.56
59 60 59
Ce 0.000 0.000 0.000
N 0.500 0.500 0.500
|
Below is a description of a material.
|
The chemical formula is: LaIn5Co.
The XRD pattern shows main peaks at: 27.0°(0.06), 29.5°(0.58), 35.0°(0.24), 35.9°(1.0), 38.6°(0.65), 44.7°(0.07), 53.1°(0.3), 55.3°(0.06), 55.8°(0.2), 64.3°(0.12), 67.1°(0.15), 67.5°(0.15), 68.1°(0.32), 82.8°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
|
JVASP-98701
|
4.66 4.66 7.70
90 90 90
La 0.000 0.000 0.000
In 0.500 0.500 0.000
In 0.500 0.000 0.688
In 0.000 0.500 0.312
In 0.500 0.000 0.312
In 0.000 0.500 0.688
Co 0.000 0.000 0.500
|
Below is a description of a material.
|
The chemical formula is: SiC.
The XRD pattern shows main peaks at: 33.6°(0.23), 34.1°(0.51), 35.1°(0.98), 36.3°(0.24), 37.9°(1.0), 59.6°(0.79), 71.1°(0.12), 72.9°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
|
JVASP-22644
|
3.10 3.10 25.37
90 90 120
Si 0.667 0.333 0.200
Si 0.333 0.667 0.100
Si 0.667 0.333 0.800
Si 0.333 0.667 0.900
Si 0.000 0.000 0.700
Si 0.333 0.667 0.500
Si 0.667 0.333 0.600
Si 0.000 0.000 0.300
Si 0.667 0.333 0.400
Si 0.000 0.000 1.000
C 0.000 0.000 0.375
C 0.000 0.000 0.775
C 0.000 0.000 0.075
C 0.667 0.333 0.675
C 0.667 0.333 0.275
C 0.333 0.667 0.175
C 0.333 0.667 0.575
C 0.667 0.333 0.475
C 0.333 0.667 0.975
C 0.667 0.333 0.875
|
Below is a description of a material.
|
The chemical formula is: Ba4ZrCu.
The XRD pattern shows main peaks at: 15.3°(0.23), 25.2°(0.13), 29.6°(1.0), 30.9°(0.51), 35.9°(0.14), 39.2°(0.07), 44.3°(0.06), 47.2°(0.35), 51.7°(0.31), 54.2°(0.06), 60.7°(0.12), 61.4°(0.22), 72.5°(0.21), 76.1°(0.05), 83.7°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
|
JVASP-64188
|
7.08 7.08 7.08
60 60 60
Ba 0.125 0.625 0.625
Ba 0.625 0.625 0.625
Ba 0.625 0.125 0.625
Ba 0.625 0.625 0.125
Zr 0.000 0.000 0.000
Cu 0.250 0.250 0.250
|
Below is a description of a material.
|
The chemical formula is: Nb2FeO6.
The XRD pattern shows main peaks at: 24.5°(0.1), 25.1°(0.29), 30.7°(1.0), 31.8°(0.09), 35.4°(0.13), 36.5°(0.16), 41.6°(0.08), 43.9°(0.09), 48.3°(0.05), 52.7°(0.13), 60.7°(0.13), 64.3°(0.08), 65.1°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
|
JVASP-88512
|
5.07 5.63 13.75
90 90 90
Nb 0.722 0.184 0.844
Nb 0.278 0.816 0.156
Nb 0.778 0.684 0.344
Nb 0.222 0.816 0.844
Nb 0.222 0.316 0.656
Nb 0.278 0.316 0.344
Nb 0.778 0.184 0.156
Nb 0.722 0.684 0.656
Fe 0.750 0.137 0.500
Fe 0.250 0.863 0.500
Fe 0.750 0.637 0.000
Fe 0.250 0.363 0.000
O 0.392 0.118 0.913
O 0.076 0.616 0.072
O 0.576 0.884 0.428
O 0.424 0.616 0.928
O 0.924 0.884 0.572
O 0.892 0.382 0.587
O 0.946 0.388 0.257
O 0.108 0.618 0.413
O 0.446 0.112 0.243
O 0.554 0.388 0.743
O 0.054 0.112 0.757
O 0.054 0.612 0.743
O 0.554 0.888 0.757
O 0.446 0.612 0.257
O 0.108 0.118 0.087
O 0.946 0.888 0.243
O 0.424 0.116 0.572
O 0.576 0.384 0.072
O 0.076 0.116 0.428
O 0.892 0.882 0.913
O 0.392 0.618 0.587
O 0.608 0.882 0.087
O 0.924 0.384 0.928
O 0.608 0.382 0.413
|
Below is a description of a material.
|
The chemical formula is: SiNi.
The XRD pattern shows main peaks at: 27.8°(0.22), 34.2°(0.18), 39.7°(0.11), 44.6°(1.0), 49.2°(0.46), 61.3°(0.07), 68.6°(0.09), 75.5°(0.06), 78.9°(0.32), 85.6°(0.07), 88.9°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
|
JVASP-90627
|
4.54 4.54 4.54
90 90 90
Si 0.654 0.154 0.346
Si 0.154 0.346 0.654
Si 0.346 0.654 0.154
Si 0.846 0.846 0.846
Ni 0.351 0.851 0.649
Ni 0.851 0.649 0.351
Ni 0.649 0.351 0.851
Ni 0.149 0.149 0.149
|
Below is a description of a material.
|
The chemical formula is: ThTi2O6.
The XRD pattern shows main peaks at: 14.3°(0.4), 18.4°(0.81), 20.5°(0.27), 25.4°(1.0), 26.0°(0.6), 26.6°(0.15), 28.9°(0.3), 30.5°(0.42), 31.7°(0.42), 34.7°(0.33), 35.8°(0.45), 38.5°(0.21), 39.0°(0.2), 43.4°(0.2), 44.0°(0.14), 47.2°(0.31), 54.8°(0.14), 55.3°(0.24), 56.1°(0.18), 57.3°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
|
JVASP-86502
|
3.84 5.32 6.64
71 73 68
Th 0.000 0.000 0.000
Ti 0.823 0.746 0.608
Ti 0.177 0.254 0.392
O 0.278 0.848 0.596
O 0.722 0.152 0.404
O 0.656 0.795 0.893
O 0.024 0.641 0.312
O 0.976 0.359 0.688
O 0.344 0.205 0.107
|
Below is a description of a material.
|
The chemical formula is: Ba4TaCo.
The XRD pattern shows main peaks at: 15.8°(0.12), 18.3°(0.06), 26.0°(0.23), 30.6°(1.0), 32.0°(0.44), 37.1°(0.06), 45.9°(0.09), 48.8°(0.35), 53.5°(0.31), 62.9°(0.12), 63.7°(0.18), 75.3°(0.22), 87.1°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
|
JVASP-63915
|
6.85 6.85 6.85
60 60 60
Ba 0.125 0.625 0.625
Ba 0.625 0.625 0.625
Ba 0.625 0.125 0.625
Ba 0.625 0.625 0.125
Ta 0.000 0.000 0.000
Co 0.250 0.250 0.250
|
Below is a description of a material.
|
The chemical formula is: Mn2SiRu.
The XRD pattern shows main peaks at: 26.6°(0.12), 30.9°(0.12), 44.2°(1.0), 52.4°(0.06), 64.3°(0.15), 81.3°(0.28).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
|
JVASP-37194
|
4.10 4.10 4.10
60 60 60
Mn 0.000 0.000 0.000
Mn 0.750 0.750 0.750
Si 0.250 0.250 0.250
Ru 0.500 0.500 0.500
|
Below is a description of a material.
|
The chemical formula is: Mn3Ga.
The XRD pattern shows main peaks at: 44.8°(1.0), 65.3°(0.14), 82.6°(0.27).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
|
JVASP-37189
|
4.04 4.04 4.04
60 60 60
Mn 0.250 0.250 0.250
Mn 0.750 0.750 0.750
Mn 0.500 0.500 0.500
Ga 0.000 0.000 0.000
|
Below is a description of a material.
|
The chemical formula is: TiFe2As.
The XRD pattern shows main peaks at: 44.1°(1.0), 64.2°(0.17), 81.2°(0.33).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
|
JVASP-37044
|
4.10 4.10 4.10
60 60 60
Ti 0.000 0.000 0.000
Fe 0.250 0.250 0.250
Fe 0.750 0.750 0.750
As 0.500 0.500 0.500
|
Below is a description of a material.
|
The chemical formula is: RbZnO3.
The XRD pattern shows main peaks at: 30.6°(1.0), 37.8°(0.08), 43.9°(0.42), 54.5°(0.42), 63.8°(0.25), 72.4°(0.17), 80.7°(0.08), 88.7°(0.22).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
|
JVASP-38278
|
4.13 4.13 4.13
90 90 90
Rb 0.000 0.000 0.000
Zn 0.500 0.500 0.500
O 0.000 0.500 0.500
O 0.500 0.000 0.500
O 0.500 0.500 0.000
|
Below is a description of a material.
|
The chemical formula is: ThN.
The XRD pattern shows main peaks at: 29.9°(1.0), 34.6°(0.73), 49.7°(0.47), 59.1°(0.53), 62.0°(0.18), 73.0°(0.09), 80.8°(0.22), 83.4°(0.24).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
|
JVASP-19857
|
3.67 3.67 3.67
60 60 60
Th 0.500 0.500 0.500
N 0.000 0.000 0.000
|
Below is a description of a material.
|
The chemical formula is: NaSrO3.
The XRD pattern shows main peaks at: 21.3°(0.27), 30.3°(1.0), 37.4°(0.52), 43.4°(0.52), 48.9°(0.13), 53.9°(0.41), 63.1°(0.3), 67.4°(0.08), 71.6°(0.18), 75.7°(0.16), 79.7°(0.1), 87.6°(0.21).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
|
JVASP-38694
|
4.17 4.17 4.17
90 90 90
Na 0.500 0.500 0.500
Sr 0.000 0.000 0.000
O 0.500 0.500 0.000
O 0.500 0.000 0.500
O 0.000 0.500 0.500
|
Below is a description of a material.
|
The chemical formula is: Co3Bi.
The XRD pattern shows main peaks at: 24.2°(0.12), 26.0°(0.39), 32.6°(0.12), 41.0°(1.0), 43.6°(0.12), 46.8°(0.34), 49.5°(0.15), 53.4°(0.06), 54.3°(0.13), 65.9°(0.08), 68.4°(0.1), 70.5°(0.2), 82.9°(0.25), 86.9°(0.11), 89.0°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
|
JVASP-37946
|
4.59 4.59 4.59
130 130 73
Co 0.750 0.250 0.500
Co 0.250 0.750 0.500
Co 0.500 0.500 0.000
Bi 0.000 0.000 0.000
|
Below is a description of a material.
|
The chemical formula is: Ti2GaFe.
The XRD pattern shows main peaks at: 42.0°(1.0), 61.0°(0.15), 76.8°(0.31).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
|
JVASP-37051
|
4.30 4.30 4.30
60 60 60
Ti 0.000 0.000 0.000
Ti 0.750 0.750 0.750
Ga 0.250 0.250 0.250
Fe 0.500 0.500 0.500
|
Below is a description of a material.
|
The chemical formula is: RbNiO3.
The XRD pattern shows main peaks at: 32.2°(1.0), 39.7°(0.1), 46.1°(0.37), 57.4°(0.36), 67.3°(0.23), 76.6°(0.16), 85.5°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
|
JVASP-38325
|
3.93 3.93 3.93
90 90 90
Rb 0.000 0.000 0.000
Ni 0.500 0.500 0.500
O 0.000 0.500 0.500
O 0.500 0.500 0.000
O 0.500 0.000 0.500
|
Below is a description of a material.
|
The chemical formula is: BaNaSc.
The XRD pattern shows main peaks at: 19.0°(0.99), 22.0°(0.12), 31.4°(1.0), 36.9°(0.56), 44.9°(0.19), 49.2°(0.27), 50.6°(0.06), 55.8°(0.41), 59.5°(0.2), 65.4°(0.12), 68.8°(0.19), 74.3°(0.16), 77.6°(0.07), 86.0°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
|
JVASP-64005
|
5.71 5.71 5.71
60 60 60
Ba 0.750 0.750 0.750
Na 0.000 0.000 0.000
Sc 0.500 0.500 0.500
|
Below is a description of a material.
|
The chemical formula is: HoAg.
The XRD pattern shows main peaks at: 35.4°(1.0), 50.9°(0.18), 63.5°(0.37), 74.8°(0.12), 85.5°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
|
JVASP-15056
|
3.59 3.59 3.59
90 90 90
Ho 0.500 0.500 0.500
Ag 0.000 0.000 0.000
|
Below is a description of a material.
|
The chemical formula is: RbF3.
The XRD pattern shows main peaks at: 22.1°(0.21), 24.6°(0.62), 31.2°(0.17), 38.5°(1.0), 40.3°(0.18), 44.6°(0.29), 45.0°(0.15), 50.3°(0.1), 51.6°(0.19), 55.7°(0.07), 61.7°(0.11), 65.2°(0.16), 78.1°(0.19), 78.7°(0.09), 79.5°(0.06), 82.5°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
|
JVASP-38317
|
4.95 4.95 4.95
131 131 70
Rb 0.000 0.000 0.000
F 0.750 0.250 0.500
F 0.250 0.750 0.500
F 0.500 0.500 0.000
|
Below is a description of a material.
|
The chemical formula is: Ba4CuSe.
The XRD pattern shows main peaks at: 15.6°(0.3), 25.6°(0.13), 30.1°(1.0), 31.5°(0.6), 36.5°(0.15), 39.9°(0.08), 45.1°(0.05), 48.0°(0.34), 52.6°(0.35), 55.2°(0.07), 61.8°(0.13), 62.6°(0.25), 74.0°(0.22), 77.6°(0.06), 85.4°(0.07), 86.1°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
|
JVASP-64131
|
6.96 6.96 6.96
60 60 60
Ba 0.122 0.626 0.626
Ba 0.626 0.626 0.626
Ba 0.626 0.122 0.626
Ba 0.626 0.626 0.122
Cu 0.250 0.250 0.250
Se 0.000 0.000 0.000
|
Below is a description of a material.
|
The chemical formula is: TiFe2Sb.
The XRD pattern shows main peaks at: 25.5°(0.16), 42.3°(1.0), 50.1°(0.08), 61.4°(0.15), 77.4°(0.3).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
|
JVASP-37031
|
4.27 4.27 4.27
60 60 60
Ti 0.000 0.000 0.000
Fe 0.250 0.250 0.250
Fe 0.750 0.750 0.750
Sb 0.500 0.500 0.500
|
Below is a description of a material.
|
The chemical formula is: Ca3La3B5O15.
The XRD pattern shows main peaks at: 9.7°(0.21), 16.9°(0.57), 19.4°(0.08), 23.9°(1.0), 27.9°(0.24), 29.4°(0.73), 32.6°(0.17), 34.0°(0.69), 40.9°(0.07), 42.0°(0.61), 43.6°(0.14), 44.5°(0.37), 47.0°(0.33), 49.0°(0.19), 52.1°(0.31), 55.1°(0.11), 59.3°(0.07), 68.6°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
|
JVASP-98615
|
10.55 10.55 6.40
90 90 120
Ca 0.527 0.473 0.262
Ca 0.054 0.527 0.762
Ca 0.473 0.946 0.762
Ca 0.527 0.054 0.262
Ca 0.946 0.473 0.262
Ca 0.473 0.527 0.762
La 0.844 0.156 0.581
La 0.156 0.313 0.081
La 0.844 0.687 0.581
La 0.313 0.156 0.581
La 0.156 0.844 0.081
La 0.687 0.844 0.081
B 0.000 0.000 0.748
B 0.199 0.801 0.547
B 0.333 0.667 0.099
B 0.667 0.333 0.599
B 0.000 0.000 0.248
B 0.801 0.199 0.047
B 0.602 0.801 0.547
B 0.199 0.398 0.547
B 0.801 0.602 0.047
B 0.398 0.199 0.047
O 0.076 0.924 0.741
O 0.151 0.076 0.241
O 0.924 0.849 0.241
O 0.076 0.151 0.741
O 0.590 0.180 0.598
O 0.924 0.076 0.241
O 0.180 0.590 0.098
O 0.373 0.302 0.946
O 0.849 0.924 0.741
O 0.410 0.820 0.098
O 0.698 0.072 0.946
O 0.072 0.373 0.446
O 0.820 0.410 0.598
O 0.410 0.590 0.098
O 0.227 0.773 0.745
O 0.454 0.227 0.245
O 0.773 0.546 0.245
O 0.773 0.227 0.245
O 0.227 0.454 0.745
O 0.928 0.627 0.946
O 0.546 0.773 0.745
O 0.698 0.627 0.946
O 0.928 0.302 0.946
O 0.590 0.410 0.598
O 0.302 0.373 0.446
O 0.373 0.072 0.946
O 0.302 0.928 0.446
O 0.627 0.698 0.446
O 0.627 0.928 0.446
O 0.072 0.698 0.446
|
Below is a description of a material.
|
The chemical formula is: NdTe.
The XRD pattern shows main peaks at: 28.1°(1.0), 40.1°(0.82), 49.7°(0.27), 58.0°(0.14), 65.7°(0.35), 72.9°(0.26).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
|
JVASP-14789
|
4.50 4.50 4.50
60 60 60
Nd 0.000 0.000 0.000
Te 0.500 0.500 0.500
|
Below is a description of a material.
|
The chemical formula is: La3CuSnS7.
The XRD pattern shows main peaks at: 17.6°(0.05), 19.8°(0.16), 22.6°(0.17), 24.7°(1.0), 26.3°(0.13), 29.4°(0.26), 31.1°(0.16), 33.4°(0.13), 34.7°(0.55), 35.7°(0.21), 36.2°(0.21), 39.2°(0.18), 39.9°(0.25), 43.1°(0.13), 46.1°(0.27), 47.3°(0.15), 49.0°(0.15), 49.4°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
|
JVASP-98038
|
10.34 10.34 6.08
90 90 120
La 0.222 0.357 0.757
La 0.865 0.222 0.257
La 0.357 0.135 0.257
La 0.643 0.865 0.757
La 0.135 0.778 0.757
La 0.778 0.643 0.257
Cu 0.000 0.000 0.719
Cu 0.000 0.000 0.219
Sn 0.333 0.667 0.332
Sn 0.667 0.333 0.832
S 0.089 0.516 0.499
S 0.911 0.484 0.999
S 0.516 0.427 0.999
S 0.427 0.911 0.499
S 0.097 0.845 0.232
S 0.252 0.097 0.732
S 0.667 0.333 0.441
S 0.155 0.252 0.232
S 0.748 0.903 0.232
S 0.903 0.155 0.732
S 0.484 0.573 0.499
S 0.333 0.667 0.941
S 0.845 0.748 0.732
S 0.573 0.089 0.999
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Below is a description of a material.
|
The chemical formula is: MoWSe2S2.
The XRD pattern shows main peaks at: 2.6°(1.0), 12.9°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
|
JVASP-28636
|
3.26 3.26 34.35
90 90 120
Mo 0.333 0.667 0.095
Mo 0.667 0.333 0.657
W 0.333 0.667 0.469
W 0.667 0.333 0.282
Se 0.333 0.667 0.332
Se 0.333 0.667 0.706
Se 0.333 0.667 0.232
Se 0.333 0.667 0.607
S 0.667 0.333 0.050
S 0.667 0.333 0.424
S 0.667 0.333 0.140
S 0.667 0.333 0.515
|
Below is a description of a material.
|
The chemical formula is: RbCrF5.
The XRD pattern shows main peaks at: 21.7°(0.16), 24.5°(1.0), 27.0°(0.39), 29.5°(0.82), 30.0°(0.23), 32.3°(0.28), 37.2°(0.18), 39.3°(0.43), 39.8°(0.17), 41.1°(0.45), 44.7°(0.21), 49.3°(0.1), 51.5°(0.22), 53.3°(0.1), 55.9°(0.12), 57.9°(0.14), 62.2°(0.16), 62.7°(0.09), 67.6°(0.09), 73.2°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
|
JVASP-97916
|
5.54 7.79 9.66
90 90 90
Rb 0.500 0.878 0.970
Rb 0.500 0.122 0.470
Rb 0.000 0.352 0.153
Rb 0.000 0.648 0.653
Cr 0.000 0.863 0.230
Cr 0.500 0.577 0.345
Cr 0.500 0.423 0.845
Cr 0.000 0.137 0.730
F 0.735 0.471 0.440
F 0.253 0.686 0.229
F 0.000 0.851 0.414
F 0.265 0.471 0.440
F 0.253 0.314 0.729
F 0.000 0.149 0.914
F 0.500 0.404 0.219
F 0.000 0.165 0.544
F 0.767 0.025 0.223
F 0.767 0.975 0.723
F 0.233 0.975 0.723
F 0.500 0.596 0.719
F 0.500 0.763 0.453
F 0.500 0.237 0.953
F 0.747 0.314 0.729
F 0.233 0.025 0.223
F 0.747 0.686 0.229
F 0.265 0.529 0.940
F 0.000 0.835 0.044
F 0.735 0.529 0.940
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Below is a description of a material.
|
The chemical formula is: LaAs.
The XRD pattern shows main peaks at: 24.9°(0.15), 28.9°(1.0), 41.3°(0.78), 51.1°(0.26), 59.8°(0.13), 67.7°(0.35), 75.2°(0.25).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
|
JVASP-18944
|
4.37 4.37 4.37
60 60 60
La 0.000 0.000 0.000
As 0.500 0.500 0.500
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Below is a description of a material.
|
The chemical formula is: Be2RuPb.
The XRD pattern shows main peaks at: 21.7°(0.08), 26.5°(1.0), 41.0°(0.85), 44.2°(0.13), 49.4°(0.19), 56.9°(0.25), 62.0°(0.09), 66.1°(0.15), 68.4°(0.15), 72.4°(0.06), 79.2°(0.1), 83.0°(0.08), 86.7°(0.19), 88.9°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
|
JVASP-64985
|
4.86 4.86 4.86
135 135 65
Be 0.000 0.000 0.000
Be 0.250 0.750 0.500
Ru 0.750 0.250 0.500
Pb 0.500 0.500 0.000
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Below is a description of a material.
|
The chemical formula is: Ba4NiBr.
The XRD pattern shows main peaks at: 13.4°(0.28), 21.9°(0.12), 25.8°(1.0), 26.9°(0.59), 31.2°(0.17), 34.1°(0.09), 38.5°(0.05), 40.9°(0.4), 44.7°(0.38), 46.9°(0.07), 52.3°(0.14), 53.0°(0.28), 62.2°(0.26), 65.1°(0.06), 71.2°(0.07), 71.8°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
|
JVASP-64784
|
8.11 8.11 8.11
60 60 60
Ba 0.124 0.625 0.625
Ba 0.625 0.625 0.625
Ba 0.625 0.124 0.625
Ba 0.625 0.625 0.124
Ni 0.000 0.000 0.000
Br 0.250 0.250 0.250
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Below is a description of a material.
|
The chemical formula is: BaSrCd.
The XRD pattern shows main peaks at: 19.0°(0.36), 22.0°(0.06), 31.3°(1.0), 36.9°(0.21), 44.9°(0.18), 49.2°(0.08), 55.7°(0.36), 59.4°(0.06), 65.3°(0.11), 68.7°(0.06), 74.2°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
|
JVASP-64093
|
5.71 5.71 5.71
60 60 60
Ba 0.750 0.750 0.750
Sr 0.500 0.500 0.500
Cd 0.000 0.000 0.000
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Below is a description of a material.
|
The chemical formula is: TmFeO3.
The XRD pattern shows main peaks at: 15.6°(0.42), 23.1°(0.11), 29.5°(0.54), 30.6°(0.21), 31.5°(0.28), 33.5°(1.0), 36.0°(0.1), 43.7°(0.34), 52.3°(0.38), 55.0°(0.1), 62.4°(0.26), 63.6°(0.19), 70.5°(0.08), 86.8°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
|
JVASP-98551
|
6.06 6.06 11.34
90 90 120
Tm 0.667 0.333 0.731
Tm 0.667 0.333 0.231
Tm 0.000 0.000 0.278
Tm 0.333 0.667 0.231
Tm 0.000 0.000 0.778
Tm 0.333 0.667 0.731
Fe 0.334 0.334 0.501
Fe 0.666 0.666 0.001
Fe 0.666 0.000 0.501
Fe 0.000 0.334 0.001
Fe 0.334 0.000 0.001
Fe -0.000 0.666 0.501
O 0.638 0.000 0.337
O 0.696 0.696 0.166
O 0.696 0.000 0.666
O 0.000 0.304 0.166
O 0.000 0.638 0.337
O 0.362 0.362 0.337
O 0.638 0.638 0.837
O 0.304 0.000 0.166
O 0.667 0.333 0.022
O 0.362 0.000 0.837
O 0.000 0.000 0.478
O 0.667 0.333 0.522
O -0.000 0.696 0.666
O 0.000 0.000 0.978
O 0.304 0.304 0.666
O -0.000 0.362 0.837
O 0.333 0.667 0.522
O 0.333 0.667 0.022
|
Below is a description of a material.
|
The chemical formula is: RuPbO3.
The XRD pattern shows main peaks at: 22.4°(0.08), 31.8°(1.0), 39.2°(0.1), 45.6°(0.27), 51.4°(0.05), 56.7°(0.41), 66.5°(0.18), 75.6°(0.18), 84.4°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
|
JVASP-39448
|
3.98 3.98 3.98
90 90 90
Ru 0.500 0.500 0.500
Pb 0.000 0.000 0.000
O 0.500 0.500 0.000
O 0.500 0.000 0.500
O 0.000 0.500 0.500
|
Below is a description of a material.
|
The chemical formula is: Ti2GaNi.
The XRD pattern shows main peaks at: 41.5°(1.0), 60.1°(0.15), 75.7°(0.3).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
|
JVASP-37049
|
4.35 4.35 4.35
60 60 60
Ti 0.000 0.000 0.000
Ti 0.750 0.750 0.750
Ga 0.250 0.250 0.250
Ni 0.500 0.500 0.500
|
Below is a description of a material.
|
The chemical formula is: Li2GaPt.
The XRD pattern shows main peaks at: 25.5°(1.0), 29.5°(0.16), 42.3°(0.76), 50.0°(0.47), 61.3°(0.12), 67.5°(0.2), 77.3°(0.26), 83.0°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
|
JVASP-15260
|
4.28 4.28 4.28
60 60 60
Li 0.500 0.500 0.500
Li 0.250 0.250 0.250
Ga 0.750 0.750 0.750
Pt 0.000 0.000 0.000
|
Below is a description of a material.
|
The chemical formula is: Ba4LiSn.
The XRD pattern shows main peaks at: 15.1°(0.46), 17.4°(0.07), 24.7°(0.08), 29.1°(1.0), 30.4°(0.63), 35.3°(0.18), 38.6°(0.12), 39.6°(0.05), 46.4°(0.34), 50.8°(0.3), 53.3°(0.09), 59.6°(0.13), 60.3°(0.26), 65.5°(0.06), 71.2°(0.23), 74.6°(0.06), 82.0°(0.07), 82.7°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
|
JVASP-64429
|
7.20 7.20 7.20
60 60 60
Ba 0.120 0.627 0.627
Ba 0.627 0.627 0.627
Ba 0.627 0.120 0.627
Ba 0.627 0.627 0.120
Li 0.250 0.250 0.250
Sn 0.000 0.000 0.000
|
Below is a description of a material.
|
The chemical formula is: VP4.
The XRD pattern shows main peaks at: 19.6°(0.37), 31.2°(1.0), 32.5°(0.65), 36.2°(0.12), 37.8°(0.17), 39.8°(0.25), 42.8°(0.1), 43.6°(0.24), 47.7°(0.31), 48.1°(0.1), 49.5°(0.16), 52.4°(0.16), 52.9°(0.38), 54.3°(0.17), 56.6°(0.25), 60.5°(0.1), 75.1°(0.06), 76.9°(0.06), 83.4°(0.09), 87.8°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
|
JVASP-87040
|
5.30 5.89 6.13
81 64 69
V 0.062 0.250 0.875
V 0.938 0.750 0.125
P 0.497 0.310 0.555
P 0.948 0.190 0.555
P 0.186 0.324 0.178
P 0.636 0.176 0.178
P 0.814 0.676 0.822
P 0.364 0.824 0.822
P 0.052 0.810 0.445
P 0.503 0.690 0.445
|
Below is a description of a material.
|
The chemical formula is: Mn.
The XRD pattern shows main peaks at: 44.9°(1.0), 52.3°(0.48), 77.1°(0.27).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
|
JVASP-16080
|
2.47 2.47 2.47
59 59 59
Mn 0.000 0.000 0.000
|
Below is a description of a material.
|
The chemical formula is: Si2Ru.
The XRD pattern shows main peaks at: 16.8°(1.0), 30.9°(0.11), 33.9°(0.05), 35.3°(0.91), 44.2°(0.49), 46.5°(0.83), 47.6°(0.27), 51.9°(0.11), 61.6°(0.08), 64.3°(0.15), 67.0°(0.1), 70.5°(0.17), 75.6°(0.2), 83.0°(0.29), 87.1°(0.1), 87.9°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
|
JVASP-14914
|
2.90 2.90 5.29
90 90 90
Si 0.500 0.500 0.721
Si 0.500 0.500 0.279
Ru 0.000 0.000 0.000
|
Below is a description of a material.
|
The chemical formula is: Ti3Ge.
The XRD pattern shows main peaks at: 40.3°(1.0), 58.2°(0.15), 73.2°(0.32), 87.0°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
|
JVASP-37042
|
4.48 4.48 4.48
60 60 60
Ti 0.000 0.000 0.000
Ti 0.500 0.500 0.500
Ti 0.750 0.750 0.750
Ge 0.250 0.250 0.250
|
Below is a description of a material.
|
The chemical formula is: Ca3CdO4.
The XRD pattern shows main peaks at: 9.3°(0.6), 18.6°(0.14), 26.3°(0.12), 27.9°(0.23), 32.4°(0.8), 37.5°(1.0), 38.7°(0.18), 42.1°(0.07), 46.5°(0.06), 54.1°(0.63), 64.4°(0.24), 67.7°(0.24), 80.0°(0.07), 88.9°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
|
JVASP-107773
|
3.39 3.39 9.55
90 90 90
Ca 0.500 0.500 0.754
Ca 0.000 0.000 0.500
Ca 0.500 0.500 0.246
Cd 0.000 0.000 0.000
O 0.000 0.000 0.251
O 0.500 0.500 0.000
O 0.000 0.000 0.749
O 0.500 0.500 0.500
|
Below is a description of a material.
|
The chemical formula is: LiAgF2.
The XRD pattern shows main peaks at: 16.4°(1.0), 28.3°(0.31), 28.9°(0.26), 32.6°(0.29), 35.0°(0.84), 42.4°(0.34), 43.7°(0.17), 44.1°(0.28), 44.7°(0.2), 46.0°(0.3), 50.8°(0.07), 54.5°(0.11), 55.3°(0.19), 60.6°(0.14), 64.3°(0.07), 69.8°(0.06), 71.2°(0.09), 81.2°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
|
JVASP-50760
|
2.90 6.19 10.98
90 90 90
Li 0.253 0.215 0.105
Li 0.753 0.285 0.895
Li 0.747 0.715 0.395
Li 0.247 0.785 0.605
Ag 0.746 0.264 0.619
Ag 0.246 0.236 0.381
Ag 0.254 0.764 0.881
Ag 0.754 0.736 0.119
F 0.253 0.089 0.946
F 0.753 0.059 0.192
F 0.253 0.441 0.808
F 0.753 0.411 0.054
F 0.747 0.589 0.554
F 0.247 0.559 0.308
F 0.747 0.941 0.692
F 0.247 0.911 0.446
|
Below is a description of a material.
|
The chemical formula is: Mn2SnRu.
The XRD pattern shows main peaks at: 25.0°(0.14), 41.4°(1.0), 49.0°(0.07), 60.0°(0.15), 75.5°(0.32).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
|
JVASP-37191
|
4.36 4.36 4.36
60 60 60
Mn 0.000 0.000 0.000
Mn 0.750 0.750 0.750
Sn 0.250 0.250 0.250
Ru 0.500 0.500 0.500
|
Below is a description of a material.
|
The chemical formula is: Ti3Sn.
The XRD pattern shows main peaks at: 23.4°(0.18), 27.1°(0.1), 38.7°(1.0), 45.7°(0.1), 55.9°(0.16), 70.1°(0.31), 83.0°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
|
JVASP-37039
|
4.65 4.65 4.65
60 60 60
Ti 0.000 0.000 0.000
Ti 0.500 0.500 0.500
Ti 0.750 0.750 0.750
Sn 0.250 0.250 0.250
|
Below is a description of a material.
|
The chemical formula is: Na3Hg2.
The XRD pattern shows main peaks at: 14.8°(0.68), 15.5°(0.26), 23.0°(0.35), 23.5°(1.0), 32.1°(0.15), 33.1°(0.98), 33.5°(0.42), 36.4°(0.3), 38.0°(0.16), 38.4°(0.29), 41.0°(0.22), 42.8°(0.27), 45.2°(0.25), 46.5°(0.28), 47.8°(0.17), 49.1°(0.25), 57.4°(0.17), 64.0°(0.17), 66.1°(0.2), 68.2°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
|
JVASP-97337
|
7.75 8.45 8.45
90 90 90
Na 0.750 0.500 0.000
Na 0.000 0.697 0.303
Na 0.500 0.197 0.197
Na 0.000 0.303 0.697
Na 0.000 0.140 0.140
Na 0.500 0.360 0.640
Na 0.500 0.803 0.803
Na 0.000 0.860 0.860
Na 0.250 0.000 0.500
Na 0.750 0.000 0.500
Na 0.250 0.500 0.000
Na 0.500 0.640 0.360
Hg 0.699 0.130 0.870
Hg 0.801 0.630 0.630
Hg 0.801 0.370 0.370
Hg 0.301 0.130 0.870
Hg 0.301 0.870 0.130
Hg 0.199 0.630 0.630
Hg 0.699 0.870 0.130
Hg 0.199 0.370 0.370
|
Below is a description of a material.
|
The chemical formula is: Ba4NbFe.
The XRD pattern shows main peaks at: 15.8°(0.28), 25.9°(0.14), 30.5°(1.0), 31.9°(0.57), 36.9°(0.14), 40.4°(0.09), 45.7°(0.06), 48.6°(0.37), 53.2°(0.32), 55.9°(0.07), 62.6°(0.13), 63.4°(0.26), 75.0°(0.22), 78.7°(0.05), 86.6°(0.07), 87.4°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
|
JVASP-64316
|
6.88 6.88 6.88
60 60 60
Ba 0.126 0.625 0.625
Ba 0.625 0.625 0.625
Ba 0.625 0.126 0.625
Ba 0.625 0.625 0.126
Nb 0.000 0.000 0.000
Fe 0.250 0.250 0.250
|
Below is a description of a material.
|
The chemical formula is: Sc2MnGe.
The XRD pattern shows main peaks at: 39.8°(1.0), 57.5°(0.16), 72.2°(0.32), 85.7°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
|
JVASP-37104
|
4.53 4.53 4.53
60 60 60
Sc 0.000 0.000 0.000
Sc 0.750 0.750 0.750
Mn 0.500 0.500 0.500
Ge 0.250 0.250 0.250
|
Below is a description of a material.
|
The chemical formula is: Ba4LaTc.
The XRD pattern shows main peaks at: 15.8°(0.08), 25.9°(0.24), 30.4°(1.0), 31.8°(0.46), 36.9°(0.07), 45.6°(0.1), 48.6°(0.37), 53.2°(0.34), 62.5°(0.13), 63.3°(0.18), 74.9°(0.24), 78.6°(0.05), 86.5°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
|
JVASP-64047
|
6.89 6.89 6.89
60 60 60
Ba 0.122 0.626 0.626
Ba 0.626 0.626 0.626
Ba 0.626 0.122 0.626
Ba 0.626 0.626 0.122
La 0.250 0.250 0.250
Tc 0.000 0.000 0.000
|
Below is a description of a material.
|
The chemical formula is: MgMnRh2.
The XRD pattern shows main peaks at: 29.2°(0.27), 41.8°(1.0), 51.8°(0.07), 60.6°(0.15), 68.6°(0.09), 76.3°(0.32).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
|
JVASP-38842
|
4.32 4.32 4.32
60 60 60
Mg 0.250 0.250 0.250
Mn 0.750 0.750 0.750
Rh 0.000 0.000 0.000
Rh 0.500 0.500 0.500
|
Below is a description of a material.
|
The chemical formula is: Ba4LiPb.
The XRD pattern shows main peaks at: 15.0°(0.28), 17.3°(0.16), 24.6°(0.16), 28.9°(1.0), 30.2°(0.51), 35.0°(0.08), 38.3°(0.07), 39.3°(0.11), 43.2°(0.08), 46.0°(0.38), 50.3°(0.28), 52.8°(0.07), 59.1°(0.13), 59.8°(0.2), 70.6°(0.22), 81.3°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
|
JVASP-64528
|
7.25 7.25 7.25
60 60 60
Ba 0.120 0.627 0.627
Ba 0.627 0.627 0.627
Ba 0.627 0.120 0.627
Ba 0.627 0.627 0.120
Li 0.250 0.250 0.250
Pb 0.000 0.000 0.000
|
Below is a description of a material.
|
The chemical formula is: Ba4HfCu.
The XRD pattern shows main peaks at: 15.4°(0.11), 25.3°(0.22), 29.8°(1.0), 31.2°(0.4), 36.1°(0.06), 44.6°(0.09), 47.5°(0.36), 52.0°(0.3), 61.1°(0.13), 61.9°(0.18), 73.1°(0.23), 84.4°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
|
JVASP-64244
|
7.03 7.03 7.03
60 60 60
Ba 0.125 0.625 0.625
Ba 0.625 0.625 0.625
Ba 0.625 0.125 0.625
Ba 0.625 0.625 0.125
Hf 0.000 0.000 0.000
Cu 0.250 0.250 0.250
|
Below is a description of a material.
|
The chemical formula is: W.
The XRD pattern shows main peaks at: 40.0°(1.0), 57.9°(0.18), 72.7°(0.36), 86.4°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
|
JVASP-14830
|
2.76 2.76 2.76
109 109 109
W 0.000 0.000 0.000
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Below is a description of a material.
|
The chemical formula is: Ba4TlTe.
The XRD pattern shows main peaks at: 25.0°(0.33), 29.4°(1.0), 30.8°(0.37), 44.1°(0.16), 46.9°(0.4), 51.4°(0.33), 58.0°(0.07), 60.3°(0.14), 61.1°(0.16), 70.0°(0.08), 72.1°(0.26), 75.6°(0.05), 83.1°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
|
JVASP-64379
|
7.11 7.11 7.11
60 60 60
Ba 0.128 0.624 0.624
Ba 0.624 0.624 0.624
Ba 0.624 0.128 0.624
Ba 0.624 0.624 0.128
Tl 0.000 0.000 0.000
Te 0.250 0.250 0.250
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Below is a description of a material.
|
The chemical formula is: CdH4S2O5.
The XRD pattern shows main peaks at: 12.8°(0.74), 16.0°(0.27), 17.8°(0.14), 18.5°(0.12), 20.3°(0.15), 22.4°(1.0), 25.7°(0.81), 27.7°(0.28), 30.4°(0.26), 31.2°(0.22), 33.8°(0.13), 34.8°(0.38), 36.6°(0.22), 37.4°(0.24), 39.4°(0.18), 41.3°(0.13), 42.0°(0.18), 42.7°(0.13), 44.4°(0.13), 53.2°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
|
JVASP-98439
|
5.63 7.15 14.13
90 101 90
Cd 0.445 0.169 0.818
Cd 0.945 0.331 0.318
Cd 0.555 0.831 0.182
Cd 0.055 0.669 0.682
H 0.465 0.635 0.583
H 0.965 0.865 0.083
H 0.535 0.365 0.417
H 0.035 0.135 0.917
H 0.701 0.859 0.536
H 0.201 0.641 0.036
H 0.299 0.141 0.464
H 0.799 0.359 0.964
H 0.222 0.625 0.505
H 0.722 0.875 0.005
H 0.778 0.375 0.495
H 0.278 0.125 0.995
H 0.729 0.662 0.483
H 0.229 0.838 0.983
H 0.271 0.338 0.517
H 0.771 0.162 0.017
S 0.855 0.178 0.659
S 0.355 0.322 0.159
S 0.145 0.822 0.341
S 0.645 0.678 0.841
S 0.178 0.027 0.665
S 0.678 0.473 0.165
S 0.822 0.973 0.335
S 0.322 0.527 0.835
O 0.702 0.415 0.428
O 0.202 0.085 0.928
O 0.739 0.724 0.546
O 0.239 0.776 0.046
O 0.261 0.276 0.454
O 0.761 0.224 0.954
O 0.904 0.364 0.620
O 0.404 0.136 0.120
O 0.096 0.636 0.380
O 0.596 0.864 0.880
O 0.810 0.196 0.758
O 0.310 0.304 0.258
O 0.190 0.804 0.242
O 0.690 0.696 0.742
O 0.664 0.079 0.592
O 0.164 0.421 0.092
O 0.336 0.921 0.408
O 0.836 0.579 0.908
O 0.798 0.915 0.072
O 0.298 0.585 0.572
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Below is a description of a material.
|
The chemical formula is: Ti2InNi.
The XRD pattern shows main peaks at: 24.1°(0.16), 39.9°(1.0), 47.2°(0.09), 57.8°(0.17), 72.5°(0.31), 86.2°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
|
JVASP-37057
|
4.51 4.51 4.51
60 60 60
Ti 0.000 0.000 0.000
Ti 0.750 0.750 0.750
In 0.250 0.250 0.250
Ni 0.500 0.500 0.500
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