Datasets:
knc6
/
diffractgpt_jarvis_dft

Dataset card Data Studio Files
xet
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instruction
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1 value
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172
435
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2.84k
Below is a description of a material.
The chemical formula is: Ba4BiPd. The XRD pattern shows main peaks at: 25.7°(0.31), 30.2°(1.0), 31.6°(0.36), 45.3°(0.14), 48.2°(0.37), 52.8°(0.31), 59.6°(0.06), 62.0°(0.12), 62.8°(0.14), 72.0°(0.06), 74.3°(0.22), 77.9°(0.05), 85.8°(0.07). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
JVASP-63958
6.94 6.94 6.94 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 Bi 0.250 0.250 0.250 Pd 0.000 0.000 0.000
Below is a description of a material.
The chemical formula is: Ba4TiSe. The XRD pattern shows main peaks at: 15.4°(0.4), 25.3°(0.1), 29.7°(1.0), 31.1°(0.69), 36.1°(0.18), 39.4°(0.12), 47.4°(0.38), 51.9°(0.37), 54.5°(0.09), 61.0°(0.13), 61.7°(0.26), 67.1°(0.05), 72.9°(0.23), 76.5°(0.06), 84.1°(0.07), 84.8°(0.06). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
JVASP-64670
7.05 7.05 7.05 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 Ti 0.000 0.000 0.000 Se 0.250 0.250 0.250
Below is a description of a material.
The chemical formula is: AgNO3. The XRD pattern shows main peaks at: 20.9°(0.9), 23.5°(0.57), 26.7°(0.67), 27.5°(1.0), 28.9°(0.82), 29.4°(0.39), 31.4°(0.79), 34.1°(0.48), 39.7°(0.55), 40.7°(0.34), 41.5°(0.28), 42.5°(0.36), 43.3°(0.17), 45.2°(0.24), 46.3°(0.19), 49.2°(0.18), 52.6°(0.14), 53.2°(0.18), 59.0°(0.16), 61.0°(0.15). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
JVASP-97854
7.14 6.32 7.51 37 37 46 Ag 0.358 0.545 0.515 Ag -0.648 0.378 0.157 N 0.806 0.921 0.459 N -0.001 -0.030 0.677 O 0.930 0.196 0.182 O 0.652 -0.166 0.278 O 0.735 -0.939 0.767 O 0.507 0.948 -0.323 O -0.031 0.610 0.540 O -0.034 0.810 0.023
Below is a description of a material.
The chemical formula is: Al9Co2. The XRD pattern shows main peaks at: 17.5°(0.31), 20.1°(0.48), 22.1°(0.35), 23.2°(0.38), 24.3°(0.23), 25.2°(0.29), 28.8°(0.18), 30.2°(0.22), 37.6°(0.28), 39.0°(0.46), 39.9°(0.52), 41.6°(0.27), 42.8°(0.41), 43.7°(0.59), 44.4°(0.36), 44.8°(0.25), 45.6°(0.43), 46.2°(1.0), 46.6°(0.89), 66.5°(0.17). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
JVASP-11958
6.23 6.30 8.58 90 94 90 Al 0.000 0.000 0.000 Al 0.783 0.116 0.455 Al 0.217 0.616 0.045 Al 0.217 0.884 0.545 Al 0.783 0.384 0.955 Al 0.610 0.690 0.503 Al 0.390 0.190 0.997 Al 0.390 0.310 0.497 Al 0.912 0.792 0.272 Al 0.610 0.810 0.003 Al 0.088 0.208 0.728 Al 0.912 0.708 0.772 Al 0.595 0.470 0.231 Al 0.405 0.970 0.269 Al 0.405 0.530 0.769 Al 0.595 0.030 0.731 Al 0.000 0.500 0.500 Al 0.088 0.292 0.228 Co 0.264 0.620 0.334 Co 0.736 0.380 0.666 Co 0.264 0.880 0.834 Co 0.736 0.120 0.166
Below is a description of a material.
The chemical formula is: TlCoF3. The XRD pattern shows main peaks at: 21.5°(0.27), 30.5°(1.0), 37.6°(0.26), 43.7°(0.33), 49.2°(0.06), 54.3°(0.44), 63.6°(0.22), 72.2°(0.09), 80.4°(0.07). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
JVASP-36885
4.14 4.14 4.14 90 90 90 Tl 0.006 0.008 0.010 Co 0.506 0.508 0.510 F 0.506 0.508 0.010 F 0.506 0.008 0.510 F 0.006 0.508 0.510
Below is a description of a material.
The chemical formula is: HoMn12. The XRD pattern shows main peaks at: 22.3°(0.1), 30.7°(0.1), 31.2°(0.47), 34.4°(0.16), 38.3°(0.48), 39.6°(0.18), 44.0°(0.58), 44.4°(1.0), 45.5°(0.72), 46.8°(0.09), 49.5°(0.09), 50.9°(0.19), 57.0°(0.09), 65.1°(0.12), 66.1°(0.1), 71.0°(0.07), 75.2°(0.19), 81.1°(0.19), 81.9°(0.16), 85.3°(0.08). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
JVASP-97988
4.55 6.25 6.25 82 68 68 Ho 0.000 0.000 0.000 Mn 0.726 0.774 0.774 Mn 0.500 0.000 0.500 Mn -0.000 0.500 0.000 Mn 0.500 0.500 0.000 Mn 0.000 0.000 0.500 Mn 0.364 0.636 0.636 Mn 0.000 0.364 0.636 Mn -0.000 0.636 0.364 Mn 0.636 0.364 0.364 Mn 0.274 0.226 0.226 Mn 0.500 0.774 0.226 Mn 0.500 0.226 0.774
Below is a description of a material.
The chemical formula is: ErSbPd. The XRD pattern shows main peaks at: 23.5°(0.22), 27.2°(0.26), 38.9°(1.0), 45.9°(0.09), 48.1°(0.08), 56.2°(0.16), 63.5°(0.1), 70.4°(0.35), 83.5°(0.1). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
JVASP-1750
4.63 4.63 4.63 60 60 60 Er 0.000 0.000 0.000 Sb 0.500 0.500 0.500 Pd 0.250 0.250 0.250
Below is a description of a material.
The chemical formula is: Ba4GaCu. The XRD pattern shows main peaks at: 15.5°(0.32), 25.4°(0.12), 29.9°(1.0), 31.2°(0.65), 36.2°(0.18), 39.6°(0.1), 47.6°(0.38), 52.1°(0.35), 54.7°(0.08), 61.3°(0.12), 62.0°(0.26), 73.3°(0.23), 76.8°(0.05), 84.6°(0.07), 85.3°(0.05). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
JVASP-64724
7.02 7.02 7.02 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 Ga 0.000 0.000 0.000 Cu 0.250 0.250 0.250
Below is a description of a material.
The chemical formula is: MnAgO2. The XRD pattern shows main peaks at: 14.2°(0.21), 28.6°(0.76), 33.1°(0.85), 34.9°(0.26), 36.4°(1.0), 39.2°(0.51), 43.5°(0.08), 49.1°(0.25), 53.7°(0.35), 59.3°(0.34), 60.0°(0.26), 61.8°(0.1), 63.7°(0.1), 65.2°(0.12), 69.0°(0.12), 69.5°(0.11), 71.3°(0.1), 73.7°(0.11), 83.9°(0.1), 84.4°(0.09). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
JVASP-36782
2.92 3.13 6.40 101 90 117 Mn 0.500 -0.000 0.500 Ag 0.000 0.000 0.000 O 0.101 0.202 0.336 O 0.899 0.798 0.664
Below is a description of a material.
The chemical formula is: Ba4ScNb. The XRD pattern shows main peaks at: 15.7°(0.34), 25.8°(0.11), 30.3°(1.0), 31.7°(0.63), 36.8°(0.16), 40.2°(0.1), 48.4°(0.34), 53.0°(0.33), 55.6°(0.08), 62.3°(0.12), 63.1°(0.24), 74.5°(0.2), 78.2°(0.05), 86.1°(0.07), 86.8°(0.05). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
JVASP-64865
6.91 6.91 6.91 60 60 60 Ba 0.127 0.624 0.624 Ba 0.624 0.624 0.624 Ba 0.624 0.127 0.624 Ba 0.624 0.624 0.127 Sc 0.000 0.000 0.000 Nb 0.250 0.250 0.250
Below is a description of a material.
The chemical formula is: MnAuO2. The XRD pattern shows main peaks at: 14.4°(1.0), 29.0°(0.83), 32.9°(0.8), 34.6°(0.53), 36.1°(1.0), 38.7°(0.34), 39.2°(0.71), 43.0°(0.14), 44.1°(0.15), 48.3°(0.16), 49.6°(0.25), 53.8°(0.38), 58.6°(0.29), 60.5°(0.26), 61.9°(0.13), 65.1°(0.17), 68.3°(0.15), 70.8°(0.13), 73.0°(0.14), 84.2°(0.15). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
JVASP-36857
2.95 3.16 6.34 101 90 117 Mn 0.500 0.000 0.500 Au 0.000 0.000 0.000 O 0.100 0.199 0.336 O 0.900 0.801 0.664
Below is a description of a material.
The chemical formula is: VFeRu2. The XRD pattern shows main peaks at: 29.9°(0.13), 42.8°(1.0), 62.1°(0.16), 78.4°(0.3). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
JVASP-37583
4.23 4.23 4.23 60 60 60 V 0.750 0.750 0.750 Fe 0.250 0.250 0.250 Ru 0.000 0.000 0.000 Ru 0.500 0.500 0.500
Below is a description of a material.
The chemical formula is: Ni3Hg. The XRD pattern shows main peaks at: 23.7°(0.36), 33.8°(0.31), 41.7°(1.0), 48.5°(0.45), 54.7°(0.17), 60.4°(0.12), 71.1°(0.28), 76.1°(0.08), 81.1°(0.05), 85.9°(0.35). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
JVASP-39364
3.75 3.75 3.75 90 90 90 Ni 0.000 0.500 0.500 Ni 0.500 0.000 0.500 Ni 0.500 0.500 0.000 Hg 0.000 0.000 0.000
Below is a description of a material.
The chemical formula is: Li3P7. The XRD pattern shows main peaks at: 14.4°(0.22), 14.7°(0.16), 17.0°(1.0), 18.1°(0.21), 19.2°(0.28), 20.6°(0.12), 27.6°(0.12), 28.6°(0.13), 29.7°(0.21), 30.4°(0.33), 31.0°(0.31), 31.5°(0.26), 33.7°(0.15), 34.4°(0.22), 34.9°(0.15), 45.2°(0.15), 48.7°(0.12), 49.7°(0.16), 50.7°(0.21), 55.9°(0.15). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
JVASP-98496
7.61 9.80 10.47 90 90 90 Li 0.848 0.308 0.816 Li 0.095 0.698 0.193 Li 0.595 0.802 0.807 Li 0.905 0.198 0.307 Li 0.933 0.974 0.513 Li 0.433 0.526 0.487 Li 0.405 0.302 0.693 Li 0.567 0.026 0.013 Li 0.652 0.692 0.316 Li 0.152 0.808 0.684 Li 0.348 0.192 0.184 Li 0.067 0.474 0.987 P 0.684 0.427 0.618 P 0.092 0.863 0.996 P 0.316 0.927 0.882 P 0.816 0.573 0.118 P 0.184 0.073 0.382 P 0.463 0.428 0.268 P 0.626 0.281 0.002 P 0.874 0.719 0.502 P 0.374 0.781 0.498 P 0.963 0.072 0.732 P 0.592 0.637 0.004 P 0.126 0.219 0.998 P 0.908 0.363 0.504 P 0.858 0.950 0.887 P 0.963 0.056 0.069 P 0.463 0.444 0.931 P 0.037 0.556 0.431 P 0.537 0.944 0.569 P 0.037 0.572 0.768 P 0.358 0.550 0.113 P 0.142 0.450 0.613 P 0.642 0.050 0.387 P 0.218 0.127 0.818 P 0.718 0.373 0.182 P 0.782 0.627 0.682 P 0.282 0.873 0.318 P 0.408 0.137 0.496 P 0.537 0.928 0.232
Below is a description of a material.
The chemical formula is: TeMoWSe2S. The XRD pattern shows main peaks at: 2.3°(1.0), 4.7°(0.33), 7.0°(0.06), 11.7°(0.11). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
JVASP-28962
3.35 3.35 37.90 90 90 119 Te 0.333 0.667 0.708 Te 0.333 0.667 0.607 Mo 0.333 0.667 0.470 Mo 0.667 0.333 0.282 W 0.333 0.667 0.094 W 0.667 0.333 0.658 Se 0.333 0.667 0.326 Se 0.667 0.333 0.426 Se 0.667 0.333 0.514 Se 0.333 0.667 0.238 S 0.667 0.333 0.054 S 0.667 0.333 0.134
Below is a description of a material.
The chemical formula is: Be2TlIr. The XRD pattern shows main peaks at: 26.6°(0.9), 41.2°(1.0), 44.2°(0.14), 49.7°(0.19), 57.3°(0.24), 62.1°(0.09), 66.5°(0.15), 68.7°(0.15), 73.0°(0.07), 79.3°(0.15), 83.4°(0.08), 87.4°(0.22), 89.5°(0.08). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
JVASP-64907
4.85 4.85 4.85 135 135 64 Be 0.000 0.000 0.000 Be 0.250 0.750 0.500 Tl 0.750 0.250 0.500 Ir 0.500 0.500 0.000
Below is a description of a material.
The chemical formula is: Mg4BeRu. The XRD pattern shows main peaks at: 20.4°(0.47), 23.6°(0.43), 33.7°(0.4), 39.7°(1.0), 41.5°(0.27), 53.0°(0.11), 54.5°(0.17), 60.2°(0.16), 64.3°(0.28), 70.7°(0.16), 74.5°(0.08), 75.8°(0.08), 80.7°(0.07), 84.3°(0.11), 85.5°(0.09). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
JVASP-65023
5.33 5.33 5.33 60 60 60 Mg 0.126 0.625 0.625 Mg 0.625 0.625 0.625 Mg 0.625 0.126 0.625 Mg 0.625 0.625 0.126 Be 0.000 0.000 0.000 Ru 0.250 0.250 0.250
Below is a description of a material.
The chemical formula is: MnAgO2. The XRD pattern shows main peaks at: 14.2°(0.12), 28.7°(0.47), 34.3°(0.24), 35.4°(1.0), 39.2°(0.48), 43.6°(0.05), 52.3°(0.39), 59.4°(0.05), 60.8°(0.46), 68.6°(0.23), 72.4°(0.11), 74.8°(0.07), 84.3°(0.08). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
JVASP-36850
3.05 3.05 6.47 76 76 59 Mn 0.500 0.500 0.500 Ag 0.000 0.000 0.000 O 0.887 0.887 0.339 O 0.113 0.113 0.661
Below is a description of a material.
The chemical formula is: B2CN. The XRD pattern shows main peaks at: 11.2°(0.09), 22.5°(0.07), 34.0°(0.16), 37.6°(0.08), 42.1°(1.0), 42.7°(0.91), 71.1°(0.51), 74.3°(0.13), 75.7°(0.11), 89.7°(0.16). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
JVASP-91700
2.51 2.55 7.90 90 90 90 B 0.250 0.000 0.688 B 0.750 0.000 0.312 B 0.250 0.500 0.085 B 0.750 0.500 0.915 C 0.250 0.500 0.552 C 0.750 0.500 0.448 N 0.250 0.000 0.195 N 0.750 0.000 0.805
Below is a description of a material.
The chemical formula is: MnAuO2. The XRD pattern shows main peaks at: 14.4°(0.49), 29.1°(0.43), 33.9°(0.41), 35.0°(1.0), 39.0°(0.53), 41.8°(0.12), 44.3°(0.08), 48.6°(0.13), 52.5°(0.32), 60.1°(0.22), 61.2°(0.22), 68.1°(0.25), 71.4°(0.11), 74.0°(0.09), 83.8°(0.08). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
JVASP-36853
3.08 3.08 6.38 76 76 60 Mn 0.500 0.500 0.500 Au 0.000 0.000 0.000 O 0.113 0.113 0.662 O 0.887 0.887 0.338
Below is a description of a material.
The chemical formula is: Na2LiAlP2. The XRD pattern shows main peaks at: 13.0°(0.19), 18.4°(0.3), 25.4°(0.2), 26.2°(0.18), 30.9°(0.61), 33.7°(0.39), 34.4°(1.0), 41.0°(0.83), 44.3°(0.75), 45.9°(0.29), 57.3°(0.34), 59.0°(0.14), 64.5°(0.17), 65.7°(0.08), 69.2°(0.06), 75.2°(0.07), 79.4°(0.09). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
JVASP-98174
5.77 8.92 8.92 99 90 90 Na 0.713 0.821 0.179 Na 0.287 0.179 0.821 Na 0.250 0.068 0.432 Na 0.250 0.568 0.932 Na 0.750 0.932 0.568 Na 0.787 0.321 0.679 Na 0.213 0.679 0.321 Na 0.750 0.432 0.068 Li 0.500 0.881 0.881 Li 0.000 0.619 0.619 Li 0.500 0.119 0.119 Li 0.000 0.381 0.381 Al 0.000 0.870 0.870 Al 0.000 0.130 0.130 Al 0.500 0.370 0.370 Al 0.500 0.630 0.630 P 0.250 0.852 0.648 P 0.215 0.895 0.105 P 0.285 0.395 0.605 P 0.785 0.105 0.895 P 0.715 0.605 0.395 P 0.750 0.148 0.352 P 0.250 0.352 0.148 P 0.750 0.648 0.852
Below is a description of a material.
The chemical formula is: Ti4CuAg. The XRD pattern shows main peaks at: 7.8°(0.06), 15.6°(0.14), 31.6°(0.14), 34.5°(0.06), 38.9°(1.0), 43.8°(0.39), 63.7°(0.12), 77.3°(0.22). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
JVASP-107737
2.92 2.92 11.36 90 90 90 Ti 0.500 0.500 0.182 Ti 0.000 0.000 0.653 Ti 0.000 0.000 0.347 Ti 0.500 0.500 0.818 Cu 0.500 0.500 0.500 Ag 0.000 0.000 0.000
Below is a description of a material.
The chemical formula is: K3Sb. The XRD pattern shows main peaks at: 16.6°(0.32), 17.0°(0.22), 18.9°(0.47), 29.6°(1.0), 30.3°(0.9), 33.5°(0.06), 34.1°(0.33), 35.3°(0.09), 42.9°(0.36), 45.3°(0.15), 46.8°(0.08), 52.5°(0.18), 53.0°(0.36), 61.4°(0.1), 70.1°(0.14), 85.4°(0.09). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
JVASP-90429
6.04 6.04 10.70 90 90 120 K 0.000 -0.000 0.750 K -0.000 0.000 0.250 K 0.667 0.333 0.082 K 0.333 0.667 0.918 K 0.333 0.667 0.582 K 0.667 0.333 0.418 Sb 0.667 0.333 0.750 Sb 0.333 0.667 0.250
Below is a description of a material.
The chemical formula is: TiS2. The XRD pattern shows main peaks at: 15.5°(0.62), 34.1°(1.0), 44.1°(0.58), 53.7°(0.31), 56.3°(0.09), 57.5°(0.2), 65.2°(0.18), 71.9°(0.12), 82.6°(0.07), 89.4°(0.25). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
JVASP-323
3.41 3.41 5.72 90 90 120 Ti 0.000 0.000 0.000 S 0.333 0.667 0.248 S 0.667 0.333 0.752
Below is a description of a material.
The chemical formula is: CdP2O6. The XRD pattern shows main peaks at: 15.9°(0.64), 20.9°(0.45), 24.1°(0.64), 26.3°(0.15), 26.7°(1.0), 28.8°(0.37), 32.1°(0.17), 33.8°(0.39), 34.2°(0.33), 35.7°(0.52), 38.0°(0.15), 39.9°(0.13), 42.0°(0.13), 46.0°(0.13), 47.1°(0.11), 48.7°(0.11), 49.2°(0.22), 51.6°(0.13), 56.8°(0.17), 58.6°(0.12). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
JVASP-97429
7.48 7.40 8.51 90 90 90 Cd 0.857 0.978 0.796 Cd 0.357 0.022 0.704 Cd 0.643 0.478 0.204 Cd 0.143 0.522 0.296 P 0.164 0.654 0.907 P 0.664 0.346 0.593 P 0.440 0.881 0.337 P 0.336 0.154 0.093 P 0.060 0.381 0.663 P 0.560 0.619 0.837 P 0.940 0.119 0.163 P 0.836 0.846 0.407 O 0.397 0.168 0.928 O 0.364 0.579 0.903 O 0.922 0.317 0.203 O 0.078 0.183 0.703 O 0.864 0.421 0.597 O 0.853 0.677 0.309 O 0.603 0.332 0.428 O 0.442 0.989 0.173 O 0.647 0.177 0.691 O 0.578 0.817 0.797 O 0.810 0.038 0.049 O 0.558 0.511 0.673 O 0.690 0.538 0.951 O 0.058 0.489 0.827 O 0.942 0.011 0.327 O 0.136 0.079 0.097 O 0.103 0.668 0.072 O 0.147 0.823 0.809 O 0.190 0.462 0.549 O 0.353 0.323 0.191 O 0.310 0.962 0.451 O 0.897 0.832 0.572 O 0.422 0.683 0.297 O 0.636 0.921 0.403
Below is a description of a material.
The chemical formula is: PrMgAg. The XRD pattern shows main peaks at: 13.1°(0.09), 20.6°(0.11), 22.8°(0.32), 26.3°(0.2), 30.9°(0.78), 33.7°(1.0), 35.1°(0.22), 40.0°(0.28), 41.0°(0.24), 41.9°(0.23), 46.5°(0.11), 48.5°(0.18), 53.2°(0.21), 55.8°(0.11), 59.3°(0.17), 63.7°(0.22), 64.4°(0.05), 66.0°(0.14), 71.3°(0.11), 73.3°(0.12). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
JVASP-89958
4.31 7.81 7.81 119 90 90 Pr 0.500 0.585 0.000 Pr 0.500 0.415 0.415 Pr 0.500 -0.000 0.585 Mg 0.000 0.240 0.000 Mg 0.000 0.760 0.760 Mg 0.000 1.000 0.240 Ag 0.000 0.333 0.667 Ag 0.000 0.667 0.333 Ag 0.500 -0.000 0.000
Below is a description of a material.
The chemical formula is: SrCaO3. The XRD pattern shows main peaks at: 20.4°(0.07), 29.1°(1.0), 35.8°(0.3), 41.6°(0.45), 51.5°(0.45), 60.2°(0.3), 68.2°(0.19), 72.1°(0.09), 75.8°(0.09), 83.2°(0.2). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
JVASP-37300
4.35 4.35 4.35 90 90 90 Sr 0.000 0.000 0.000 Ca 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: KInO3. The XRD pattern shows main peaks at: 20.8°(0.52), 29.6°(1.0), 42.3°(0.37), 47.6°(0.23), 52.5°(0.39), 61.4°(0.23), 65.6°(0.11), 69.6°(0.16), 77.4°(0.07), 85.0°(0.19). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
JVASP-38181
4.27 4.27 4.27 90 90 90 K 0.000 0.000 0.000 In 0.500 0.500 0.500 O 0.500 0.000 0.500 O 0.500 0.500 0.000 O 0.000 0.500 0.500
Below is a description of a material.
The chemical formula is: ZnTe. The XRD pattern shows main peaks at: 25.0°(1.0), 29.0°(0.07), 41.4°(0.7), 49.0°(0.48), 60.0°(0.11), 66.1°(0.19), 75.6°(0.23). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
JVASP-1198
4.36 4.36 4.36 60 60 60 Zn 0.000 0.000 0.000 Te 0.250 0.250 0.250
Below is a description of a material.
The chemical formula is: RbSrO3. The XRD pattern shows main peaks at: 26.3°(1.0), 37.5°(0.35), 46.4°(0.41), 54.1°(0.22), 61.2°(0.19), 67.8°(0.08), 74.0°(0.2), 86.1°(0.12). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
JVASP-38289
4.79 4.79 4.79 90 90 90 Rb 0.000 0.000 0.000 Sr 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: Th3U. The XRD pattern shows main peaks at: 31.3°(1.0), 36.3°(0.5), 52.2°(0.38), 62.1°(0.44), 65.2°(0.13), 77.0°(0.06), 85.4°(0.2), 88.2°(0.19). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
JVASP-37387
4.95 4.95 4.95 90 90 90 Th 0.000 0.500 0.500 Th 0.500 0.000 0.500 Th 0.500 0.500 0.000 U 0.000 0.000 0.000
Below is a description of a material.
The chemical formula is: RbCaO3. The XRD pattern shows main peaks at: 19.4°(0.05), 27.6°(1.0), 34.0°(0.28), 39.5°(0.44), 48.8°(0.38), 57.0°(0.27), 64.5°(0.18), 68.1°(0.09), 71.6°(0.08), 78.3°(0.2). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
JVASP-38327
4.57 4.57 4.57 90 90 90 Rb 0.000 0.000 0.000 Ca 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: Mn3O4F2. The XRD pattern shows main peaks at: 23.2°(0.1), 27.3°(1.0), 32.3°(0.05), 35.9°(0.5), 36.5°(0.07), 41.0°(0.14), 51.9°(0.1), 54.1°(0.19), 57.1°(0.08), 62.3°(0.1), 69.3°(0.16). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
JVASP-48092
4.60 2.98 13.88 90 90 90 Mn 0.077 0.000 0.826 Mn 0.000 0.000 0.500 Mn 0.923 0.000 0.174 Mn 0.577 0.500 0.674 Mn 0.423 0.500 0.326 Mn 0.500 0.500 0.000 O 0.177 0.500 0.434 O 0.261 0.500 0.768 O 0.323 0.000 0.934 O 0.239 0.000 0.268 O 0.761 0.000 0.732 O 0.739 0.500 0.232 O 0.823 0.500 0.566 O 0.677 0.000 0.066 F 0.349 0.000 0.607 F 0.849 0.500 0.893 F 0.651 0.000 0.393 F 0.151 0.500 0.107
Below is a description of a material.
The chemical formula is: Mn2FeO3. The XRD pattern shows main peaks at: 35.7°(0.59), 41.5°(1.0), 60.1°(0.45), 71.9°(0.2), 75.7°(0.09). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
JVASP-47532
5.34 3.08 7.53 90 90 90 Mn 0.669 0.000 0.338 Mn 0.331 0.000 0.662 Mn 0.500 0.500 0.000 Mn 0.000 0.000 0.000 Fe 0.165 0.500 0.335 Fe 0.835 0.500 0.665 O 0.332 0.000 0.170 O 0.833 0.500 0.167 O 0.167 0.500 0.833 O 0.500 0.500 0.500 O -0.000 0.000 0.500 O 0.668 0.000 0.830
Below is a description of a material.
The chemical formula is: Te8Mo3W. The XRD pattern shows main peaks at: 2.3°(1.0), 4.7°(0.21). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
JVASP-29105
3.57 3.57 38.00 90 90 119 Te 0.333 0.667 0.330 Te 0.333 0.667 0.705 Te 0.667 0.333 0.047 Te 0.667 0.333 0.422 Te 0.667 0.333 0.142 Te 0.667 0.333 0.517 Te 0.333 0.667 0.234 Te 0.333 0.667 0.609 Mo 0.333 0.667 0.095 Mo 0.333 0.667 0.469 Mo 0.667 0.333 0.282 W 0.667 0.333 0.657
Below is a description of a material.
The chemical formula is: Ba4CdSn. The XRD pattern shows main peaks at: 15.2°(0.08), 25.0°(0.23), 29.4°(1.0), 30.8°(0.43), 35.7°(0.07), 44.1°(0.1), 46.9°(0.38), 51.3°(0.31), 60.3°(0.13), 61.1°(0.17), 69.9°(0.05), 72.1°(0.22), 83.1°(0.07). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
JVASP-64586
7.12 7.12 7.12 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 Cd 0.250 0.250 0.250 Sn 0.000 0.000 0.000
Below is a description of a material.
The chemical formula is: CrCuO2. The XRD pattern shows main peaks at: 29.3°(0.38), 38.3°(0.1), 39.3°(1.0), 43.0°(0.41), 55.9°(0.32), 60.7°(0.07), 64.3°(0.26), 68.6°(0.19), 76.3°(0.15), 82.1°(0.09), 84.6°(0.09). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
JVASP-22557
6.31 6.31 6.31 25 25 25 Cr 0.500 0.500 0.500 Cu 0.000 0.000 0.000 O 0.897 0.897 0.897 O 0.103 0.103 0.103
Below is a description of a material.
The chemical formula is: FeAu3. The XRD pattern shows main peaks at: 23.9°(0.11), 27.7°(0.05), 39.5°(1.0), 46.7°(0.06), 57.1°(0.17), 71.7°(0.34), 85.1°(0.11). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
JVASP-39275
4.56 4.56 4.56 59 59 59 Fe 0.750 0.750 0.750 Au 1.000 1.000 0.000 Au 0.500 0.500 0.500 Au 0.250 0.250 0.250
Below is a description of a material.
The chemical formula is: Mg9Si5. The XRD pattern shows main peaks at: 24.9°(0.14), 32.4°(0.06), 33.3°(1.0), 36.4°(0.8), 38.5°(0.48), 41.4°(0.1), 43.9°(0.53), 44.6°(0.44), 69.6°(0.12), 70.2°(0.24). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
JVASP-97624
7.15 7.15 12.28 90 90 120 Mg 0.322 0.917 0.584 Mg 0.275 0.929 0.250 Mg 0.725 0.071 0.750 Mg 0.929 0.653 0.750 Mg 0.653 0.725 0.250 Mg 0.595 0.678 0.916 Mg 0.917 0.595 0.416 Mg 0.678 0.083 0.416 Mg 0.322 0.917 0.916 Mg 0.083 0.405 0.916 Mg 0.405 0.322 0.416 Mg 0.405 0.322 0.084 Mg 0.083 0.405 0.584 Mg 0.347 0.275 0.750 Mg 0.678 0.083 0.084 Mg 0.917 0.595 0.084 Mg 0.595 0.678 0.584 Mg 0.071 0.347 0.250 Si 0.333 0.667 0.413 Si 0.667 0.333 0.913 Si 0.667 0.333 0.587 Si 0.333 0.667 0.087 Si 0.333 0.667 0.750 Si 0.667 0.333 0.250 Si 0.000 0.000 0.102 Si 0.000 0.000 0.602 Si 0.000 0.000 0.898 Si 0.000 0.000 0.398
Below is a description of a material.
The chemical formula is: Li. The XRD pattern shows main peaks at: 36.3°(1.0), 42.2°(0.46), 61.2°(0.3), 73.2°(0.34), 77.1°(0.1). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
JVASP-14757
3.03 3.03 3.03 60 60 60 Li 0.000 0.000 0.000
Below is a description of a material.
The chemical formula is: NaCrO2. The XRD pattern shows main peaks at: 16.2°(0.64), 32.7°(0.16), 36.8°(0.1), 38.1°(0.27), 42.7°(1.0), 53.9°(0.09), 58.5°(0.34), 65.5°(0.25), 68.7°(0.11), 81.4°(0.12). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
JVASP-22671
5.71 5.71 5.71 28 28 28 Na 0.500 0.500 0.500 Cr 0.000 0.000 0.000 O 0.264 0.264 0.264 O 0.736 0.736 0.736
Below is a description of a material.
The chemical formula is: CoF2. The XRD pattern shows main peaks at: 27.8°(1.0), 35.1°(0.65), 39.6°(0.08), 40.5°(0.21), 44.6°(0.06), 54.0°(0.73), 57.3°(0.2), 59.9°(0.11), 64.9°(0.1), 67.2°(0.15), 69.0°(0.25), 82.6°(0.06), 87.6°(0.11). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
JVASP-22514
3.09 4.55 4.55 90 90 90 Co 0.000 0.000 0.000 Co 0.500 0.500 0.500 F 0.000 0.303 0.303 F 0.000 0.697 0.697 F 0.500 0.197 0.803 F 0.500 0.803 0.197
Below is a description of a material.
The chemical formula is: LiGa2Rh. The XRD pattern shows main peaks at: 25.4°(0.42), 42.0°(1.0), 49.7°(0.18), 61.0°(0.17), 76.8°(0.34). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
JVASP-15478
4.30 4.30 4.30 60 60 60 Li 0.500 0.500 0.500 Ga 0.250 0.250 0.250 Ga 0.750 0.750 0.750 Rh 0.000 0.000 0.000
Below is a description of a material.
The chemical formula is: CoTe2. The XRD pattern shows main peaks at: 15.8°(0.12), 27.2°(0.06), 31.6°(1.0), 42.5°(0.35), 48.1°(0.33), 56.8°(0.18), 58.8°(0.2), 66.1°(0.06), 77.6°(0.07), 79.2°(0.1), 86.5°(0.11). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
JVASP-28353
3.78 3.78 5.60 90 90 120 Co 0.000 0.000 0.000 Te 0.667 0.333 0.760 Te 0.333 0.667 0.240
Below is a description of a material.
The chemical formula is: Zn2Ga2S5. The XRD pattern shows main peaks at: 5.9°(0.08), 23.7°(0.71), 27.7°(0.43), 28.7°(0.13), 29.3°(1.0), 31.9°(0.05), 34.1°(0.43), 38.0°(0.18), 39.5°(0.09), 42.5°(0.07), 44.1°(0.17), 48.7°(0.84), 54.8°(0.39), 57.9°(0.13), 60.8°(0.05), 67.8°(0.09), 78.9°(0.1). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
JVASP-90115
3.74 3.74 15.19 82 82 60 Zn 0.311 0.311 0.066 Zn 0.482 0.482 0.553 Ga 0.896 0.896 0.311 Ga 0.076 0.076 0.771 S 0.995 0.995 0.015 S 0.532 0.532 0.403 S 0.390 0.390 0.831 S 0.256 0.256 0.231 S 0.128 0.128 0.617
Below is a description of a material.
The chemical formula is: Tl2MoO4. The XRD pattern shows main peaks at: 27.3°(1.0), 28.4°(0.46), 29.0°(0.86), 40.0°(0.41), 40.4°(0.21), 48.0°(0.11), 48.5°(0.36), 49.6°(0.42), 51.7°(0.16), 52.2°(0.08), 56.2°(0.12), 56.9°(0.06), 58.8°(0.06), 60.0°(0.13), 64.2°(0.09), 64.8°(0.16), 66.1°(0.08), 66.8°(0.08), 67.4°(0.09). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
JVASP-89035
6.18 6.18 8.03 88 88 63 Tl 0.676 0.654 0.176 Tl 0.346 0.324 0.824 Tl 0.049 0.951 0.500 Tl -0.003 0.003 -0.000 Mo 0.359 0.314 0.308 Mo 0.686 0.641 0.692 O 0.218 0.599 0.199 O 0.401 0.782 0.801 O 0.296 0.098 0.202 O 0.902 0.704 0.798 O 0.677 0.225 0.300 O 0.775 0.323 0.700 O 0.649 0.760 0.485 O 0.240 0.351 0.515
Below is a description of a material.
The chemical formula is: CeSi2Ir. The XRD pattern shows main peaks at: 10.5°(0.38), 21.1°(0.18), 26.5°(0.14), 30.0°(0.48), 30.5°(1.0), 34.1°(0.84), 38.5°(0.2), 40.4°(0.2), 43.0°(0.47), 48.3°(0.22), 53.3°(0.2), 55.9°(0.28), 58.2°(0.07), 59.1°(0.17), 62.4°(0.18), 66.6°(0.1), 71.0°(0.29), 73.1°(0.06), 88.7°(0.08). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
JVASP-91521
4.21 4.21 8.69 104 90 90 Ce 0.750 0.106 0.212 Ce 0.250 0.894 0.788 Si 0.750 0.464 0.928 Si 0.250 0.536 0.072 Si 0.750 0.750 0.500 Si 0.250 0.250 0.500 Ir 0.750 0.323 0.646 Ir 0.250 0.677 0.354
Below is a description of a material.
The chemical formula is: KBaO3. The XRD pattern shows main peaks at: 17.8°(0.54), 25.3°(1.0), 36.1°(0.39), 40.6°(0.3), 44.7°(0.44), 52.0°(0.25), 55.5°(0.11), 58.8°(0.18), 65.0°(0.09), 71.0°(0.22), 82.3°(0.11), 87.8°(0.1). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
JVASP-39244
4.97 4.97 4.97 90 90 90 K 0.000 0.000 0.000 Ba 0.500 0.500 0.500 O 0.500 0.000 0.500 O 0.500 0.500 0.000 O 0.000 0.500 0.500
Below is a description of a material.
The chemical formula is: RbBaO3. The XRD pattern shows main peaks at: 17.8°(0.12), 25.3°(1.0), 36.0°(0.33), 40.5°(0.05), 44.5°(0.42), 51.9°(0.24), 58.6°(0.2), 64.8°(0.08), 70.7°(0.22), 82.0°(0.11), 87.6°(0.09). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
JVASP-38332
4.98 4.98 4.98 90 90 90 Rb 0.000 0.000 0.000 Ba 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: H4PbC2O6. The XRD pattern shows main peaks at: 15.0°(1.0), 18.9°(0.7), 22.2°(0.52), 23.0°(0.35), 23.3°(0.15), 27.5°(0.41), 32.4°(0.7), 33.0°(0.5), 36.8°(0.08), 37.2°(0.2), 38.4°(0.11), 39.9°(0.22), 40.3°(0.12), 43.7°(0.1), 45.2°(0.12), 47.2°(0.25), 49.5°(0.1), 50.2°(0.17), 55.8°(0.09), 61.9°(0.1). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
JVASP-98291
7.74 7.62 9.37 90 90 90 H 0.852 0.038 0.167 H 0.150 0.664 0.603 H 0.350 0.836 0.103 H 0.850 0.336 0.397 H 0.148 0.962 0.833 H 0.650 0.164 0.897 H 0.648 0.462 0.667 H 0.150 0.836 0.103 H 0.850 0.164 0.897 H 0.148 0.538 0.333 H 0.352 0.538 0.333 H 0.350 0.664 0.603 H 0.852 0.462 0.667 H 0.648 0.038 0.167 H 0.650 0.336 0.397 H 0.352 0.962 0.833 Pb 0.750 0.456 0.096 Pb 0.250 0.544 0.904 Pb 0.250 0.956 0.404 Pb 0.750 0.044 0.596 C 0.649 0.723 0.369 C 0.351 0.277 0.631 C 0.851 0.723 0.369 C 0.851 0.777 0.869 C 0.149 0.223 0.131 C 0.351 0.223 0.131 C 0.149 0.277 0.631 C 0.649 0.777 0.869 O 0.427 0.111 0.209 O 0.427 0.389 0.709 O 0.750 -0.016 0.121 O 0.926 0.666 0.949 O 0.574 0.666 0.949 O 0.927 0.611 0.291 O 0.750 0.233 0.864 O 0.426 0.334 0.051 O 0.573 0.889 0.791 O 0.927 0.889 0.791 O 0.574 0.834 0.449 O 0.250 0.016 0.879 O 0.074 0.334 0.051 O 0.750 0.516 0.621 O 0.250 0.484 0.379 O 0.573 0.611 0.291 O 0.250 0.733 0.636 O 0.073 0.389 0.709 O 0.750 0.267 0.364 O 0.250 0.767 0.136 O 0.074 0.166 0.551 O 0.926 0.834 0.449 O 0.073 0.111 0.209 O 0.426 0.166 0.551
Below is a description of a material.
The chemical formula is: BePd4Rh. The XRD pattern shows main peaks at: 21.3°(0.56), 24.6°(0.11), 35.1°(0.12), 41.4°(1.0), 43.4°(0.69), 50.5°(0.17), 55.4°(0.12), 67.3°(0.32), 74.3°(0.28), 78.3°(0.08), 88.8°(0.13). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
JVASP-65065
5.11 5.11 5.11 60 60 60 Be 0.000 0.000 0.000 Pd 0.125 0.625 0.625 Pd 0.625 0.625 0.625 Pd 0.625 0.125 0.625 Pd 0.625 0.625 0.125 Rh 0.250 0.250 0.250
Below is a description of a material.
The chemical formula is: HgBr2. The XRD pattern shows main peaks at: 14.2°(0.96), 23.6°(0.17), 24.7°(1.0), 26.5°(0.09), 27.7°(0.75), 29.3°(0.11), 32.1°(0.59), 33.5°(0.7), 37.4°(0.16), 38.7°(0.13), 40.3°(0.29), 43.0°(0.13), 43.5°(0.29), 44.6°(0.23), 46.3°(0.22), 53.4°(0.38), 61.7°(0.17), 68.5°(0.11), 74.7°(0.1). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
JVASP-3648
4.15 4.15 12.47 90 90 114 Hg 0.661 0.339 0.500 Hg 0.339 0.661 0.000 Br 0.607 0.393 0.134 Br 0.393 0.607 0.634 Br 0.071 0.929 0.865 Br 0.929 0.071 0.365
Below is a description of a material.
The chemical formula is: SmSi2Rh3. The XRD pattern shows main peaks at: 24.2°(0.07), 30.6°(0.85), 32.2°(0.07), 37.3°(1.0), 40.6°(0.74), 44.9°(0.2), 49.6°(0.19), 56.3°(0.31), 63.1°(0.21), 63.6°(0.4), 67.3°(0.22), 79.5°(0.11), 86.8°(0.09), 88.0°(0.24). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
JVASP-86727
5.57 5.57 3.68 90 90 120 Sm 0.000 0.000 0.000 Si 0.667 0.333 0.000 Si 0.333 0.667 0.000 Rh 0.500 0.500 0.500 Rh 0.500 0.000 0.500 Rh 0.000 0.500 0.500
Below is a description of a material.
The chemical formula is: CeSiIr. The XRD pattern shows main peaks at: 24.4°(0.27), 28.2°(0.19), 31.6°(1.0), 34.7°(0.58), 40.3°(0.11), 42.9°(0.18), 45.3°(0.12), 47.6°(0.24), 54.2°(0.47), 60.3°(0.2), 62.2°(0.1), 64.1°(0.07), 67.8°(0.15), 75.0°(0.06), 76.8°(0.19), 82.0°(0.2), 83.7°(0.06). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
JVASP-98702
6.33 6.33 6.33 90 90 90 Ce 0.123 0.877 0.377 Ce 0.877 0.377 0.123 Ce 0.623 0.623 0.623 Ce 0.377 0.123 0.877 Si 0.084 0.416 0.584 Si 0.584 0.084 0.416 Si 0.416 0.584 0.084 Si 0.916 0.916 0.916 Ir 0.688 0.812 0.188 Ir 0.188 0.688 0.812 Ir 0.312 0.312 0.312 Ir 0.812 0.188 0.688
Below is a description of a material.
The chemical formula is: H3ClO5. The XRD pattern shows main peaks at: 15.9°(0.1), 20.6°(1.0), 23.7°(0.9), 24.8°(0.24), 26.1°(0.69), 26.8°(0.14), 29.0°(0.45), 31.6°(0.53), 32.2°(0.1), 33.2°(0.23), 36.4°(0.2), 37.1°(0.25), 39.7°(0.1), 43.2°(0.32), 51.6°(0.1), 52.2°(0.23), 58.4°(0.12), 69.8°(0.07), 70.8°(0.16), 75.8°(0.12). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
JVASP-97502
8.81 5.39 7.17 90 90 90 H 0.178 0.900 0.064 H 0.178 0.600 0.064 H 0.285 0.750 0.215 H 0.785 0.750 0.285 H 0.678 0.600 0.436 H 0.678 0.900 0.436 H 0.715 0.250 0.785 H 0.822 0.100 0.936 H 0.822 0.400 0.936 H 0.215 0.250 0.715 H 0.322 0.400 0.564 H 0.322 0.100 0.564 Cl 0.585 0.750 0.803 Cl 0.085 0.750 0.697 Cl 0.915 0.250 0.303 Cl 0.415 0.250 0.197 O 0.093 0.528 0.818 O 0.687 0.750 0.355 O 0.187 0.750 0.145 O 0.407 0.028 0.318 O 0.907 0.472 0.182 O 0.593 0.528 0.682 O 0.093 0.972 0.818 O 0.593 0.972 0.682 O 0.407 0.472 0.318 O 0.283 0.250 0.071 O 0.445 0.750 0.907 O 0.945 0.750 0.593 O 0.555 0.250 0.093 O 0.055 0.250 0.407 O 0.717 0.750 0.929 O 0.217 0.750 0.571 O 0.813 0.250 0.855 O 0.783 0.250 0.429 O 0.907 0.028 0.182 O 0.313 0.250 0.645
Below is a description of a material.
The chemical formula is: Rb2O. The XRD pattern shows main peaks at: 22.8°(0.08), 26.7°(0.23), 27.5°(0.3), 29.0°(0.84), 29.8°(1.0), 32.0°(0.32), 32.6°(0.53), 36.0°(0.09), 37.3°(0.54), 38.1°(0.16), 39.8°(0.26), 41.3°(0.15), 46.5°(0.12), 47.4°(0.08), 49.0°(0.16), 54.6°(0.19), 55.6°(0.15), 56.8°(0.09), 60.0°(0.09), 66.9°(0.08). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
JVASP-43624
6.69 6.95 13.36 90 90 90 Rb -0.001 0.262 0.023 Rb 0.001 0.738 0.977 Rb 0.501 0.762 0.977 Rb 0.173 0.103 0.802 Rb 0.673 0.397 0.802 Rb 0.673 0.897 0.698 Rb 0.001 0.238 0.523 Rb 0.501 0.262 0.523 Rb 0.173 0.603 0.698 Rb -0.001 0.762 0.477 Rb 0.827 0.397 0.302 Rb 0.327 0.103 0.302 Rb 0.327 0.603 0.198 Rb 0.827 0.897 0.198 Rb 0.499 0.238 0.023 Rb 0.499 0.738 0.477 O 0.269 0.466 0.885 O 0.231 0.966 0.115 O 0.731 0.534 0.115 O 0.731 0.034 0.385 O 0.231 0.466 0.385 O 0.269 0.966 0.615 O 0.769 0.534 0.615 O 0.769 0.034 0.885
Below is a description of a material.
The chemical formula is: Ba4CoW. The XRD pattern shows main peaks at: 16.0°(0.13), 18.5°(0.06), 26.3°(0.22), 30.9°(1.0), 32.3°(0.43), 37.5°(0.06), 46.4°(0.09), 49.4°(0.34), 54.1°(0.3), 63.6°(0.13), 64.4°(0.18), 76.2°(0.22), 88.2°(0.07). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
JVASP-64132
6.78 6.78 6.78 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 Co 0.250 0.250 0.250 W 0.000 0.000 0.000
Below is a description of a material.
The chemical formula is: BeTlSe4. The XRD pattern shows main peaks at: 18.4°(0.26), 21.3°(0.33), 30.3°(0.29), 35.7°(1.0), 37.3°(0.33), 47.5°(0.09), 48.8°(0.13), 53.8°(0.11), 57.4°(0.35), 63.0°(0.21), 66.3°(0.05), 67.4°(0.06), 74.6°(0.12), 75.6°(0.13), 87.5°(0.06). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
JVASP-65103
5.90 5.90 5.90 60 60 60 Be 0.000 0.000 0.000 Tl 0.250 0.250 0.250 Se 0.119 0.627 0.627 Se 0.627 0.627 0.627 Se 0.627 0.119 0.627 Se 0.627 0.627 0.119
Below is a description of a material.
The chemical formula is: Ba4ZrSn. The XRD pattern shows main peaks at: 15.4°(0.12), 25.3°(0.2), 29.7°(1.0), 31.1°(0.48), 36.0°(0.08), 44.5°(0.09), 47.4°(0.37), 51.9°(0.34), 60.9°(0.12), 61.7°(0.2), 72.9°(0.24), 76.4°(0.05), 84.1°(0.07). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
JVASP-64006
7.05 7.05 7.05 60 60 60 Ba 0.127 0.624 0.624 Ba 0.624 0.624 0.624 Ba 0.624 0.127 0.624 Ba 0.624 0.624 0.127 Zr 0.000 0.000 0.000 Sn 0.250 0.250 0.250
Below is a description of a material.
The chemical formula is: Ba4TaBe. The XRD pattern shows main peaks at: 15.7°(0.31), 18.1°(0.14), 25.8°(0.14), 30.3°(1.0), 31.7°(0.53), 36.7°(0.09), 40.2°(0.09), 41.3°(0.07), 45.4°(0.06), 48.3°(0.33), 52.9°(0.28), 55.6°(0.07), 62.2°(0.12), 63.0°(0.21), 74.5°(0.23), 86.1°(0.07). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
JVASP-63916
6.92 6.92 6.92 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 Be 0.250 0.250 0.250
Below is a description of a material.
The chemical formula is: NdAlNi. The XRD pattern shows main peaks at: 14.4°(0.13), 22.0°(0.26), 25.1°(0.33), 29.1°(0.37), 33.6°(0.99), 36.8°(1.0), 38.8°(0.34), 44.3°(0.16), 44.8°(0.26), 53.8°(0.23), 54.3°(0.13), 58.8°(0.34), 64.8°(0.11), 72.6°(0.2), 77.3°(0.12), 82.0°(0.1). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
JVASP-89902
4.05 7.09 7.09 120 90 90 Nd 0.500 0.581 -0.000 Nd 0.500 0.419 0.419 Nd 0.500 1.000 0.581 Al 0.000 0.228 -0.000 Al 0.000 0.772 0.772 Al 0.000 -0.000 0.228 Ni 0.000 0.333 0.667 Ni 0.000 0.667 0.333 Ni 0.500 -0.000 -0.000
Below is a description of a material.
The chemical formula is: K2O. The XRD pattern shows main peaks at: 26.4°(0.35), 32.6°(1.0), 41.1°(0.28), 42.2°(0.5), 44.4°(0.07), 54.3°(0.17), 60.4°(0.07), 62.1°(0.07), 62.9°(0.13), 71.1°(0.11). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
JVASP-43427
4.28 8.17 4.28 90 119 90 K 0.000 0.876 0.999 K 0.334 0.623 0.666 K 0.666 0.123 0.334 K -0.000 0.376 0.001 O 0.333 0.252 0.668 O 0.667 0.752 0.332
Below is a description of a material.
The chemical formula is: CdI2. The XRD pattern shows main peaks at: 12.9°(0.3), 24.9°(0.19), 25.9°(0.09), 27.3°(1.0), 31.0°(0.69), 35.6°(0.18), 40.8°(0.29), 42.2°(0.51), 44.3°(0.08), 50.2°(0.08), 51.0°(0.17), 53.3°(0.13), 60.2°(0.09), 68.2°(0.13), 70.2°(0.12), 76.2°(0.1), 77.1°(0.09). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
JVASP-5485
4.29 4.29 13.75 90 90 119 Cd 0.667 0.333 0.500 Cd 0.333 0.667 0.000 I 0.000 0.000 0.374 I 0.000 0.000 0.874 I 0.333 0.667 0.626 I 0.667 0.333 0.126
Below is a description of a material.
The chemical formula is: PrTiO3. The XRD pattern shows main peaks at: 22.6°(0.24), 32.2°(1.0), 39.7°(0.26), 46.1°(0.32), 52.0°(0.12), 57.4°(0.37), 67.3°(0.2), 72.0°(0.06), 76.6°(0.16), 81.1°(0.08), 85.5°(0.07). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
JVASP-49894
3.93 3.93 3.93 90 90 90 Pr 0.000 0.000 0.000 Ti 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: LiCoO2. The XRD pattern shows main peaks at: 19.2°(1.0), 37.1°(0.4), 38.8°(0.18), 45.1°(0.72), 49.5°(0.12), 59.9°(0.15), 65.7°(0.29), 69.1°(0.15), 83.2°(0.09). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
JVASP-2017
4.91 4.91 4.91 33 33 33 Li 0.500 0.500 0.500 Co 0.000 0.000 0.000 O 0.260 0.260 0.260 O 0.740 0.740 0.740
Below is a description of a material.
The chemical formula is: NiAgF3. The XRD pattern shows main peaks at: 31.8°(1.0), 39.2°(0.16), 45.6°(0.39), 56.7°(0.36), 66.5°(0.22), 75.6°(0.15), 84.3°(0.07). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
JVASP-36921
3.98 3.98 3.98 90 89 89 Ni 0.512 0.502 0.500 Ag 0.012 0.002 0.000 F 0.512 0.502 0.000 F 0.012 0.502 0.500 F 0.512 0.002 0.500
Below is a description of a material.
The chemical formula is: K3CrO4. The XRD pattern shows main peaks at: 18.7°(0.19), 19.3°(0.08), 27.4°(0.58), 32.3°(1.0), 39.2°(0.3), 51.6°(0.49), 60.4°(0.16), 64.0°(0.13), 66.7°(0.08), 67.5°(0.08). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
JVASP-3396
5.77 5.77 5.77 105 111 111 K 0.500 0.750 0.250 K 0.500 0.250 0.750 K 0.000 0.500 0.500 Cr 0.000 0.000 0.000 O 0.690 0.984 0.984 O 0.000 0.016 0.706 O 0.000 0.706 0.016 O 0.310 0.294 0.294
Below is a description of a material.
The chemical formula is: LiGa2Pd. The XRD pattern shows main peaks at: 24.9°(0.39), 41.3°(1.0), 48.8°(0.18), 59.8°(0.16), 75.3°(0.31), 89.7°(0.1). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
JVASP-15528
4.37 4.37 4.37 60 60 60 Li 0.500 0.500 0.500 Ga 0.250 0.250 0.250 Ga 0.750 0.750 0.750 Pd 0.000 0.000 0.000
Below is a description of a material.
The chemical formula is: Zn2AgAu. The XRD pattern shows main peaks at: 24.2°(0.08), 28.1°(0.16), 40.1°(1.0), 58.0°(0.17), 72.9°(0.3), 86.6°(0.1). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
JVASP-18822
4.50 4.50 4.50 60 60 60 Zn 0.750 0.750 0.750 Zn 0.250 0.250 0.250 Ag 0.000 0.000 0.000 Au 0.500 0.500 0.500
Below is a description of a material.
The chemical formula is: Li6TeO6. The XRD pattern shows main peaks at: 19.0°(1.0), 19.5°(0.2), 22.1°(0.69), 31.8°(0.19), 37.0°(0.33), 37.6°(0.12), 38.5°(0.09), 45.1°(0.1), 48.9°(0.09), 50.3°(0.11), 51.2°(0.21), 55.4°(0.11), 55.8°(0.08). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
JVASP-42402
5.63 5.63 5.63 61 61 61 Li 0.918 0.485 0.284 Li 0.515 0.716 0.082 Li 0.716 0.082 0.515 Li 0.284 0.918 0.485 Li 0.485 0.284 0.918 Li 0.082 0.515 0.716 Te 0.000 0.000 0.000 O 0.795 0.349 0.105 O 0.651 0.895 0.205 O 0.895 0.205 0.651 O 0.105 0.795 0.349 O 0.349 0.105 0.795 O 0.205 0.651 0.895
Below is a description of a material.
The chemical formula is: GeTe. The XRD pattern shows main peaks at: 25.2°(0.07), 29.4°(1.0), 41.6°(0.11), 42.1°(0.44), 42.6°(0.12), 51.7°(0.12), 52.6°(0.13), 61.0°(0.07), 69.1°(0.09), 69.9°(0.05), 76.2°(0.06), 77.6°(0.07). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
JVASP-90857
4.25 4.35 12.16 90 90 90 Ge 0.250 0.203 0.635 Ge 0.250 0.297 0.135 Ge 0.750 0.797 0.365 Ge 0.750 0.703 0.865 Te 0.250 0.255 0.874 Te 0.250 0.245 0.374 Te 0.750 0.745 0.126 Te 0.750 0.755 0.626
Below is a description of a material.
The chemical formula is: BaAl4O7. The XRD pattern shows main peaks at: 13.8°(0.49), 19.8°(0.32), 23.2°(0.73), 23.7°(0.55), 26.0°(0.19), 28.0°(1.0), 28.7°(0.4), 29.8°(0.26), 32.8°(0.5), 33.2°(0.33), 33.6°(0.36), 34.0°(0.44), 35.9°(0.17), 38.3°(0.23), 39.8°(0.24), 43.3°(0.15), 43.8°(0.14), 46.0°(0.23), 52.1°(0.18), 56.0°(0.13). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
JVASP-98355
12.86 9.24 5.59 90 90 90 Ba 0.000 0.191 0.885 Ba 0.500 0.691 0.115 Ba 0.000 0.783 0.385 Ba 0.500 0.283 0.615 Al 0.123 0.552 0.879 Al 0.877 0.552 0.879 Al 0.377 0.052 0.121 Al 0.123 0.422 0.379 Al 0.877 0.422 0.379 Al 0.377 0.922 0.621 Al 0.623 0.922 0.621 Al 0.623 0.052 0.121 Al 0.675 0.399 0.068 Al 0.175 0.899 0.932 Al 0.825 0.899 0.932 Al 0.325 0.575 0.568 Al 0.675 0.575 0.568 Al 0.175 0.075 0.432 Al 0.825 0.075 0.432 Al 0.325 0.399 0.068 O 0.374 0.462 0.342 O 0.874 0.012 0.158 O 0.126 0.012 0.158 O 0.626 0.512 0.842 O 0.374 0.512 0.842 O 0.133 0.724 0.997 O 0.367 0.224 0.003 O 0.867 0.724 0.997 O 0.500 0.988 0.199 O 0.000 0.488 0.801 O 0.626 0.462 0.342 O 0.633 0.224 0.003 O 0.126 0.962 0.658 O 0.185 0.426 0.084 O 0.367 0.750 0.502 O 0.633 0.750 0.502 O 0.133 0.250 0.498 O 0.867 0.250 0.498 O 0.185 0.548 0.584 O 0.815 0.548 0.584 O 0.315 0.048 0.416 O 0.685 0.048 0.416 O 0.500 0.986 0.699 O 0.815 0.426 0.084 O 0.315 0.926 0.916 O 0.685 0.926 0.916 O 0.874 0.962 0.658 O 0.000 0.486 0.301
Below is a description of a material.
The chemical formula is: V2CdP2O10. The XRD pattern shows main peaks at: 22.1°(0.58), 26.9°(0.82), 29.2°(0.59), 31.5°(1.0), 37.0°(0.57), 38.5°(0.11), 41.7°(0.33), 45.3°(0.12), 47.8°(0.19), 53.3°(0.24), 56.0°(0.2), 60.6°(0.1), 64.8°(0.1). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
JVASP-98801
6.79 6.79 8.78 102 102 115 V 0.088 0.364 0.737 V 0.614 0.838 0.237 V 0.627 0.351 0.263 V 0.601 0.377 0.763 Cd 0.999 0.999 0.000 Cd 0.249 0.749 0.500 P 0.786 0.786 0.584 P 0.036 0.536 0.084 P 0.202 0.202 0.416 P 0.452 0.952 0.916 O 0.279 0.752 0.193 O 0.965 0.986 0.298 O 0.638 0.918 0.029 O 0.576 0.572 0.164 O 0.917 0.439 0.202 O 0.383 0.097 0.034 O 0.598 0.813 0.466 O 0.407 0.411 0.836 O 0.336 0.308 0.307 O 0.689 0.667 0.702 O 0.063 0.348 0.966 O 0.822 0.326 0.664 O 0.558 0.086 0.807 O 0.168 0.388 0.529 O 0.002 0.029 0.693 O 0.859 0.638 0.471 O 0.888 0.609 0.971 O 0.347 0.133 0.534 O 0.661 0.157 0.336 O 0.236 0.715 0.798
Below is a description of a material.
The chemical formula is: Na3CuO2. The XRD pattern shows main peaks at: 16.9°(0.4), 18.8°(0.67), 28.3°(0.26), 30.6°(0.11), 33.8°(0.41), 34.2°(0.39), 34.7°(0.59), 35.7°(1.0), 38.0°(0.1), 43.4°(0.7), 46.5°(0.11), 48.9°(0.63), 49.2°(0.39), 56.4°(0.18), 61.7°(0.19), 62.5°(0.16), 67.2°(0.18), 71.2°(0.1), 72.9°(0.22), 83.1°(0.23). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
JVASP-49776
5.30 5.94 6.59 116 113 89 Na 0.765 0.512 0.525 Na 0.503 0.250 0.001 Na 0.503 0.750 0.001 Na 0.765 0.012 0.525 Na 0.241 0.488 0.477 Na 0.241 0.988 0.477 Cu 0.003 0.000 0.001 Cu 0.003 0.500 0.001 O 0.876 0.627 0.254 O 0.383 0.127 0.254 O 0.623 0.874 0.748 O 0.130 0.374 0.748
Below is a description of a material.
The chemical formula is: SrV6O11. The XRD pattern shows main peaks at: 18.4°(0.12), 21.8°(0.06), 26.8°(0.26), 29.9°(0.49), 32.0°(0.72), 32.9°(1.0), 34.7°(0.1), 37.3°(0.49), 40.4°(0.15), 53.1°(0.08), 54.4°(0.46), 55.0°(0.19), 62.2°(0.39), 68.9°(0.07), 71.6°(0.17), 87.7°(0.12). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
JVASP-98091
5.97 5.97 13.32 90 90 120 Sr 0.667 0.333 0.750 Sr 0.333 0.667 0.250 V 0.500 0.000 0.500 V 0.000 0.500 0.500 V 0.000 0.000 0.644 V 0.667 0.333 0.250 V 0.000 0.500 0.000 V 0.000 0.000 0.356 V 0.500 0.500 0.500 V 0.500 0.500 0.000 V 0.000 0.000 0.144 V 0.500 0.000 0.000 V 0.000 0.000 0.856 V 0.333 0.667 0.750 O 0.830 0.170 0.573 O 0.170 0.340 0.427 O 0.333 0.667 0.593 O 0.340 0.170 0.927 O 0.830 0.660 0.573 O 0.170 0.830 0.427 O 0.877 0.123 0.750 O 0.170 0.340 0.073 O 0.877 0.754 0.750 O 0.830 0.170 0.927 O 0.340 0.170 0.573 O 0.123 0.877 0.250 O 0.660 0.830 0.073 O 0.667 0.333 0.407 O 0.123 0.246 0.250 O 0.246 0.123 0.750 O 0.667 0.333 0.093 O 0.333 0.667 0.907 O 0.170 0.830 0.073 O 0.754 0.877 0.250 O 0.830 0.660 0.927 O 0.660 0.830 0.427
Below is a description of a material.
The chemical formula is: Li3TiP2O8. The XRD pattern shows main peaks at: 13.1°(0.59), 21.8°(0.05), 24.6°(1.0), 25.4°(0.6), 30.3°(0.1), 33.0°(0.35), 35.6°(0.72), 37.2°(0.17), 38.4°(0.4), 47.3°(0.08), 54.0°(0.14), 57.2°(0.09), 58.5°(0.11), 60.7°(0.17), 61.5°(0.08). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
JVASP-50691
4.59 5.13 13.74 98 89 116 Li 0.362 0.658 0.335 Li 0.298 0.658 0.835 Li 0.703 0.339 0.164 Li 0.639 0.339 0.664 Li 0.045 -0.002 0.250 Li 0.956 0.998 0.750 Ti 0.000 0.998 0.500 Ti 0.000 0.998 -0.000 P 0.633 0.308 0.882 P 0.678 0.309 0.382 P 0.323 0.688 0.618 P 0.368 0.688 0.118 O 0.790 0.223 0.964 O 0.436 0.224 0.464 O 0.829 0.320 0.790 O 0.023 0.385 0.587 O 0.494 0.320 0.290 O 0.363 0.385 0.087 O 0.637 0.612 0.913 O 0.207 0.936 0.636 O 0.977 0.612 0.413 O 0.172 0.677 0.210 O 0.565 0.773 0.536 O 0.211 0.773 0.036 O 0.794 0.061 0.364 O 0.731 0.936 0.136 O 0.507 0.677 0.710 O 0.269 0.061 0.864
Below is a description of a material.
The chemical formula is: Te2Mo3S4. The XRD pattern shows main peaks at: 4.5°(1.0), 9.0°(0.1), 13.5°(0.44), 18.0°(0.15), 22.6°(0.06), 31.2°(0.4), 35.5°(0.1), 37.1°(0.47), 37.9°(0.44), 55.5°(0.24), 68.7°(0.07). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
JVASP-28566
3.31 3.31 19.79 85 90 120 Te 0.589 0.178 0.582 Te 0.524 0.047 0.777 Mo 0.440 0.880 0.025 Mo 0.223 0.446 0.679 Mo 0.670 0.341 0.337 S 0.311 0.622 0.414 S 0.799 0.599 0.947 S 0.747 0.495 0.103 S 0.363 0.726 0.259
Below is a description of a material.
The chemical formula is: NdAl3Br12. The XRD pattern shows main peaks at: 11.1°(1.0), 13.9°(0.27), 17.3°(0.19), 22.6°(0.27), 24.7°(0.2), 26.1°(0.36), 26.5°(0.25), 27.0°(0.53), 27.9°(0.45), 28.3°(0.54), 29.9°(0.39), 30.3°(0.41), 31.7°(0.57), 33.0°(0.42), 33.6°(0.27), 36.1°(0.32), 36.3°(0.27), 37.8°(0.16), 47.8°(0.11), 51.6°(0.1). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
JVASP-14223
10.27 10.27 18.40 90 90 120 Nd 0.275 0.275 0.500 Nd -0.000 0.725 0.167 Nd 0.725 -0.000 0.833 Al 0.688 0.317 0.109 Al 0.629 0.312 0.775 Al 0.893 0.893 0.000 Al -0.000 0.107 0.667 Al 0.683 0.371 0.442 Al 0.371 0.683 0.558 Al 0.312 0.629 0.225 Al 0.107 -0.000 0.333 Al 0.317 0.688 0.891 Br 0.030 0.249 0.770 Br 0.201 0.075 0.636 Br 0.873 0.799 0.303 Br 0.970 0.219 0.563 Br 0.781 0.751 0.897 Br 0.249 0.030 0.230 Br 0.219 0.970 0.437 Br 0.412 0.297 0.814 Br 0.297 0.412 0.186 Br 0.588 0.885 0.519 Br 0.115 0.703 0.852 Br 0.703 0.115 0.148 Br 0.925 0.127 0.970 Br 0.885 0.588 0.481 Br 0.718 0.214 0.369 Br 0.751 0.781 0.103 Br 0.127 0.925 0.030 Br 0.923 0.495 0.053 Br 0.075 0.201 0.364 Br 0.504 0.786 0.298 Br 0.282 0.496 0.965 Br 0.214 0.718 0.631 Br 0.537 0.236 0.544 Br 0.764 0.301 0.878 Br 0.699 0.463 0.211 Br 0.463 0.699 0.789 Br 0.236 0.537 0.456 Br 0.301 0.764 0.122 Br 0.505 0.428 0.386 Br 0.572 0.077 0.720 Br 0.786 0.504 0.702 Br 0.495 0.923 0.947 Br 0.428 0.505 0.614 Br 0.077 0.572 0.280 Br 0.799 0.873 0.697 Br 0.496 0.282 0.035
Below is a description of a material.
The chemical formula is: Li3Fe5O10. The XRD pattern shows main peaks at: 12.9°(0.59), 18.8°(1.0), 19.2°(0.25), 23.9°(0.25), 27.7°(0.32), 30.8°(0.11), 36.8°(0.14), 37.5°(0.17), 38.2°(0.08), 38.8°(0.14), 44.3°(0.49), 45.4°(0.53), 58.4°(0.05), 64.4°(0.11), 65.4°(0.22), 65.9°(0.11), 66.7°(0.11), 81.6°(0.05), 83.1°(0.05). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
JVASP-47765
4.87 4.96 7.56 101 109 99 Li 0.201 0.499 0.420 Li 0.000 0.000 0.500 Li 0.799 0.501 0.580 Fe 0.575 -0.005 0.693 Fe -0.000 0.500 0.000 Fe 0.210 0.006 0.896 Fe 0.790 0.994 0.104 Fe 0.425 0.005 0.307 O 0.397 0.775 0.055 O 0.981 0.227 0.760 O 0.788 0.219 0.332 O 0.212 0.781 0.668 O 0.820 0.789 0.861 O 0.603 0.225 0.945 O 0.420 0.218 0.536 O 0.580 0.782 0.464 O 0.019 0.773 0.240 O 0.180 0.211 0.139
Below is a description of a material.
The chemical formula is: NaNdS2. The XRD pattern shows main peaks at: 17.2°(1.0), 26.7°(0.48), 27.5°(0.27), 30.2°(0.48), 31.3°(0.89), 36.0°(0.35), 41.3°(0.15), 42.2°(0.16), 44.1°(0.69), 44.9°(0.33), 51.6°(0.1), 53.0°(0.17), 55.1°(0.35), 62.9°(0.05), 65.4°(0.1), 71.9°(0.07), 73.7°(0.07), 74.3°(0.14), 82.3°(0.19). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
JVASP-53075
5.71 5.71 7.16 113 113 89 Na 0.250 0.753 0.499 Na 0.500 0.503 -0.001 Nd 1.000 0.003 0.999 Nd 0.750 0.253 0.499 S 0.989 0.492 0.978 S 0.760 0.763 0.520 S 0.510 0.013 0.020 S 0.239 0.242 0.478
Below is a description of a material.
The chemical formula is: TiF3. The XRD pattern shows main peaks at: 22.6°(1.0), 32.1°(0.13), 46.1°(0.32), 51.9°(0.35), 67.2°(0.16). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
JVASP-14874
5.57 5.57 5.57 59 59 59 Ti 0.500 0.500 0.500 Ti 0.000 0.000 0.000 F 0.253 0.750 0.247 F 0.750 0.247 0.253 F 0.753 0.747 0.250 F 0.250 0.753 0.747 F 0.747 0.250 0.753 F 0.247 0.253 0.750
Below is a description of a material.
The chemical formula is: BaFe2S4. The XRD pattern shows main peaks at: 21.1°(0.38), 23.6°(0.61), 31.9°(1.0), 33.7°(0.31), 35.4°(0.05), 37.8°(0.09), 39.4°(0.33), 48.4°(0.08), 52.7°(0.58), 54.5°(0.27), 61.4°(0.12), 64.6°(0.21), 80.7°(0.06). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
JVASP-53439
5.07 5.90 5.90 79 64 64 Ba 0.986 -0.000 -0.000 Fe 0.236 0.500 0.500 Fe 0.736 0.500 0.500 S 0.184 0.414 0.191 S 0.374 0.809 0.414 S 0.598 0.191 0.586 S 0.788 0.586 0.809
Below is a description of a material.
The chemical formula is: Ba4YSi. The XRD pattern shows main peaks at: 15.2°(0.4), 25.0°(0.09), 29.4°(1.0), 30.8°(0.67), 35.7°(0.2), 39.0°(0.14), 46.9°(0.38), 51.3°(0.33), 53.9°(0.1), 60.3°(0.13), 61.1°(0.27), 64.1°(0.05), 66.3°(0.06), 72.1°(0.22), 75.6°(0.06), 83.1°(0.07), 83.8°(0.06). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
JVASP-64788
7.12 7.12 7.12 60 60 60 Ba 0.129 0.624 0.624 Ba 0.624 0.624 0.624 Ba 0.624 0.129 0.624 Ba 0.624 0.624 0.129 Y 0.000 0.000 0.000 Si 0.250 0.250 0.250
Below is a description of a material.
The chemical formula is: Ba4MgBe. The XRD pattern shows main peaks at: 15.0°(1.0), 29.0°(0.95), 30.3°(0.89), 35.2°(0.42), 38.5°(0.28), 46.2°(0.34), 50.6°(0.38), 53.1°(0.25), 59.4°(0.12), 60.1°(0.37), 63.1°(0.1), 65.3°(0.13), 70.9°(0.21), 74.4°(0.06), 81.7°(0.07), 82.4°(0.08), 85.0°(0.07), 87.0°(0.06). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
JVASP-64189
7.22 7.22 7.22 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 Mg 0.000 0.000 0.000 Be 0.250 0.250 0.250
Below is a description of a material.
The chemical formula is: Ho2SeO2. The XRD pattern shows main peaks at: 26.3°(0.12), 27.0°(0.08), 30.1°(1.0), 38.0°(0.38), 39.9°(0.1), 47.7°(0.33), 48.8°(0.16), 55.3°(0.09), 57.4°(0.16), 61.5°(0.09), 62.6°(0.09), 63.9°(0.14), 77.8°(0.14), 82.3°(0.09), 88.9°(0.06). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
JVASP-3258
3.81 3.81 6.78 90 90 120 Ho 0.667 0.333 0.291 Ho 0.333 0.667 0.709 Se 0.000 0.000 0.000 O 0.667 0.333 0.626 O 0.333 0.667 0.374
Below is a description of a material.
The chemical formula is: LiFeF3. The XRD pattern shows main peaks at: 16.9°(1.0), 24.0°(0.94), 33.0°(0.11), 34.1°(0.12), 37.3°(0.61), 45.9°(0.29), 48.2°(0.77), 49.2°(0.15), 52.2°(0.14), 60.6°(0.23), 66.6°(0.08), 68.7°(0.16), 69.3°(0.07), 71.9°(0.07), 87.2°(0.06). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
JVASP-43740
3.96 5.42 5.61 90 110 90 Li 0.807 0.250 0.428 Li 0.193 0.750 0.572 Fe 0.994 0.750 0.005 Fe 0.006 0.250 -0.005 F 0.465 0.750 0.939 F 0.134 0.996 0.309 F 0.134 0.504 0.309 F 0.866 0.496 0.691 F 0.866 0.004 0.691 F 0.535 0.250 0.061
Below is a description of a material.
The chemical formula is: Li2CN2. The XRD pattern shows main peaks at: 26.5°(1.0), 34.8°(0.19), 39.5°(0.06), 40.6°(0.08), 50.1°(0.16), 55.0°(0.07), 57.5°(0.11). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
JVASP-97577
3.64 3.64 5.09 110 110 89 Li 0.750 0.250 0.500 Li 0.250 0.750 0.500 C 0.000 0.000 0.000 N 0.141 0.141 0.281 N 0.859 0.859 0.719
Below is a description of a material.
The chemical formula is: SrCa2I6. The XRD pattern shows main peaks at: 16.1°(0.13), 18.3°(0.08), 20.5°(0.13), 21.7°(0.36), 23.9°(0.17), 24.9°(0.95), 28.2°(1.0), 32.3°(0.23), 33.1°(0.74), 34.2°(0.3), 38.7°(0.22), 39.1°(0.24), 41.5°(0.31), 43.8°(0.27), 45.8°(0.27), 48.9°(0.15), 50.8°(0.15), 53.9°(0.16), 54.3°(0.17), 67.6°(0.11). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
JVASP-50007
7.19 13.04 8.70 100 90 74 Sr 0.703 -0.000 0.750 Sr 0.297 -0.000 0.250 Ca 0.404 0.658 0.896 Ca 0.938 0.658 0.396 Ca 0.062 0.342 0.604 Ca 0.596 0.342 0.104 I 0.899 0.212 0.317 I 0.890 0.212 0.817 I 0.274 0.451 0.380 I 0.275 0.451 0.880 I 0.725 0.549 0.120 I 0.101 0.788 0.683 I 0.110 0.788 0.183 I 0.436 0.159 0.533 I 0.564 0.841 0.467 I 0.595 0.841 0.967 I 0.726 0.549 0.620 I 0.405 0.159 0.033
Below is a description of a material.
The chemical formula is: U3CuO10. The XRD pattern shows main peaks at: 12.8°(0.05), 17.1°(0.06), 18.7°(0.24), 21.2°(1.0), 24.1°(0.12), 27.1°(0.92), 29.9°(0.07), 34.4°(0.35), 34.8°(0.56), 43.2°(0.22), 45.8°(0.06), 46.4°(0.06), 47.9°(0.16), 51.4°(0.16), 51.9°(0.17), 53.1°(0.14), 55.7°(0.08). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
JVASP-85460
5.62 5.67 7.59 71 70 71 U 0.000 0.000 0.000 U 0.544 0.458 0.732 U 0.456 0.542 0.268 Cu 0.000 0.000 0.500 O 0.696 0.761 0.138 O 0.916 0.078 0.749 O 0.084 0.922 0.251 O 0.235 0.326 0.357 O 0.312 0.700 0.534 O 0.296 0.691 0.966 O 0.304 0.239 0.862 O 0.688 0.300 0.466 O 0.765 0.674 0.643 O 0.704 0.309 0.034
Below is a description of a material.
The chemical formula is: Sm2P3Pt6. The XRD pattern shows main peaks at: 7.7°(0.48), 15.4°(0.06), 27.7°(0.09), 30.7°(0.27), 32.7°(0.71), 36.4°(1.0), 43.7°(0.83), 63.5°(0.27), 75.4°(0.18). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
JVASP-97739
4.15 4.15 23.14 95 95 89 Sm 0.425 0.675 0.349 Sm 0.175 0.925 0.849 Sm 0.825 0.075 0.151 Sm 0.575 0.325 0.651 P 0.700 0.450 0.901 P 0.125 0.375 0.750 P 0.950 0.200 0.401 P 0.300 0.550 0.099 P 0.875 0.625 0.250 P 0.050 0.800 0.599 Pt 0.475 0.225 0.451 Pt 0.351 0.601 0.202 Pt 0.227 0.477 0.955 Pt 0.101 0.851 0.702 Pt 0.649 0.399 0.798 Pt 0.773 0.523 0.045 Pt 0.977 0.727 0.455 Pt 0.023 0.273 0.545 Pt 0.275 0.025 0.049 Pt 0.725 0.975 0.951 Pt 0.525 0.775 0.549 Pt 0.899 0.149 0.298
Below is a description of a material.
The chemical formula is: Ca3Ru2O7. The XRD pattern shows main peaks at: 9.0°(0.22), 18.1°(0.27), 23.4°(0.45), 26.8°(0.07), 32.0°(0.3), 32.5°(1.0), 33.3°(0.3), 39.8°(0.07), 46.4°(0.17), 46.9°(0.32), 48.0°(0.13), 50.7°(0.09), 52.2°(0.1), 54.0°(0.05), 57.4°(0.21), 58.3°(0.06), 59.0°(0.23), 68.1°(0.07), 77.9°(0.05). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
JVASP-98227
5.38 5.59 10.14 90 105 90 Ca 0.733 0.812 0.000 Ca 0.267 0.312 -0.000 Ca 0.933 0.691 0.378 Ca 0.067 0.191 0.622 Ca 0.445 0.191 0.378 Ca 0.555 0.691 0.622 Ru 0.851 0.250 0.198 Ru 0.347 0.750 0.198 Ru 0.653 0.250 0.802 Ru 0.149 0.750 0.802 O 0.523 0.773 0.398 O 0.477 0.273 0.602 O 0.065 0.953 0.236 O 0.844 0.226 0.000 O 0.156 0.726 -0.000 O 0.366 0.050 0.840 O 0.634 0.550 0.160 O 0.474 0.550 0.840 O 0.526 0.050 0.160 O 0.830 0.953 0.764 O 0.170 0.453 0.236 O 0.935 0.453 0.764 O 0.124 0.773 0.602 O 0.876 0.273 0.398
Below is a description of a material.
The chemical formula is: SiP2O7. The XRD pattern shows main peaks at: 13.7°(0.18), 18.8°(0.11), 22.3°(0.09), 24.0°(1.0), 24.4°(0.45), 25.1°(0.08), 26.5°(0.17), 26.9°(0.12), 27.6°(0.3), 29.2°(0.06), 31.4°(0.06), 36.0°(0.1), 37.4°(0.19), 38.1°(0.07), 39.2°(0.08), 41.3°(0.07), 43.0°(0.16), 59.6°(0.06). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
JVASP-97338
4.72 7.65 12.04 90 90 88 Si 0.284 0.348 0.849 Si 0.216 0.152 0.349 Si 0.784 0.848 0.651 Si 0.716 0.652 0.151 P 0.716 0.052 0.195 P 0.303 0.804 0.483 P 0.284 0.948 0.805 P 0.216 0.552 0.305 P 0.803 0.304 0.017 P 0.697 0.196 0.517 P 0.784 0.448 0.695 P 0.197 0.696 0.983 O 0.085 0.865 0.567 O 0.829 0.435 0.112 O 0.671 0.065 0.612 O 0.171 0.565 0.888 O 0.329 0.935 0.388 O 0.585 0.365 0.933 O 0.915 0.135 0.433 O 0.415 0.635 0.067 O 0.512 0.169 0.262 O 0.910 0.740 0.035 O 0.988 0.331 0.762 O 0.488 0.831 0.738 O 0.012 0.669 0.238 O 0.022 0.067 0.234 O 0.478 0.433 0.734 O 0.978 0.933 0.766 O 0.522 0.567 0.266 O 0.410 0.240 0.465 O 0.610 0.867 0.187 O 0.390 0.133 0.813 O 0.110 0.367 0.313 O 0.202 0.625 0.430 O 0.298 0.875 0.930 O 0.798 0.375 0.570 O 0.702 0.125 0.070 O 0.590 0.760 0.535 O 0.890 0.633 0.687 O 0.090 0.260 0.965
Below is a description of a material.
The chemical formula is: Fe2OF3. The XRD pattern shows main peaks at: 26.4°(1.0), 34.5°(0.57), 37.6°(0.06), 39.4°(0.19), 42.3°(0.08), 52.0°(0.58), 54.3°(0.19), 59.7°(0.09), 66.3°(0.11), 84.9°(0.09). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
JVASP-47963
3.10 4.77 9.57 90 90 90 Fe 0.000 0.033 0.136 Fe 0.000 0.974 0.633 Fe 0.500 0.533 0.864 Fe 0.500 0.474 0.367 O 0.500 0.201 0.223 O 0.000 0.701 0.777 F 0.500 0.204 0.720 F 0.000 0.296 0.966 F 0.000 0.292 0.484 F 0.000 0.704 0.280 F 0.500 0.792 0.516 F 0.500 0.796 0.034
Below is a description of a material.
The chemical formula is: MnAsPd. The XRD pattern shows main peaks at: 15.3°(0.09), 23.9°(0.2), 26.7°(0.13), 36.1°(1.0), 39.4°(0.81), 41.3°(0.42), 47.1°(0.44), 48.2°(0.47), 48.8°(0.28), 65.8°(0.22), 70.2°(0.25), 76.1°(0.32). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
JVASP-90229
3.73 6.68 6.68 120 90 90 Mn 0.500 0.596 -0.000 Mn 0.500 0.404 0.404 Mn 0.500 1.000 0.596 As 0.000 0.333 0.667 As 0.000 0.667 0.333 As 0.500 0.000 0.000 Pd 0.000 0.264 -0.000 Pd 0.000 0.736 0.736 Pd 0.000 1.000 0.264
Below is a description of a material.
The chemical formula is: Ba4LiRu. The XRD pattern shows main peaks at: 15.6°(0.53), 18.0°(0.06), 25.6°(0.07), 30.1°(1.0), 31.5°(0.64), 36.5°(0.21), 39.9°(0.15), 48.0°(0.35), 52.5°(0.32), 55.1°(0.11), 61.7°(0.12), 62.5°(0.28), 67.9°(0.06), 73.9°(0.23), 77.5°(0.06), 85.3°(0.07), 86.0°(0.06). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
JVASP-64094
6.97 6.97 6.97 60 60 60 Ba 0.121 0.626 0.626 Ba 0.626 0.626 0.626 Ba 0.626 0.121 0.626 Ba 0.626 0.626 0.121 Li 0.250 0.250 0.250 Ru 0.000 0.000 0.000
Below is a description of a material.
The chemical formula is: NiP2W. The XRD pattern shows main peaks at: 15.7°(0.33), 30.7°(0.86), 31.7°(0.22), 34.7°(0.35), 44.7°(1.0), 54.6°(0.34), 57.2°(0.08), 63.9°(0.09), 64.5°(0.16), 66.3°(0.06), 73.1°(0.22), 88.9°(0.08). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
JVASP-90715
3.36 3.36 11.30 90 90 120 Ni 0.000 0.000 0.500 Ni 0.000 0.000 0.000 P 0.667 0.333 0.614 P 0.333 0.667 0.386 P 0.333 0.667 0.114 P 0.667 0.333 0.886 W 0.000 1.000 0.750 W 1.000 0.000 0.250
Below is a description of a material.
The chemical formula is: SrH4N2. The XRD pattern shows main peaks at: 18.1°(1.0), 28.2°(0.27), 29.4°(0.31), 32.7°(0.56), 37.7°(0.37), 44.6°(0.27), 47.0°(0.38), 50.8°(0.07), 55.7°(0.15), 56.4°(0.15), 58.4°(0.14), 61.8°(0.08), 66.8°(0.08), 71.7°(0.06), 75.8°(0.07), 76.4°(0.09), 78.2°(0.11), 87.3°(0.08). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
JVASP-52889
6.71 6.71 6.71 131 131 70 Sr 0.750 0.250 0.500 Sr 0.000 0.000 0.000 H 0.453 0.102 0.649 H 0.453 0.804 0.351 H 0.297 0.446 0.149 H 0.297 0.148 0.851 H 0.898 0.547 0.351 H 0.196 0.547 0.649 H 0.554 0.703 0.851 H 0.852 0.703 0.149 N 0.989 0.489 0.500 N 0.761 0.761 0.000 N 0.511 0.011 0.500 N 0.239 0.239 0.000
Below is a description of a material.
The chemical formula is: Ho5NiPb3. The XRD pattern shows main peaks at: 26.8°(0.19), 30.1°(0.19), 33.1°(1.0), 33.4°(0.82), 34.3°(0.41), 35.4°(0.09), 42.1°(0.1), 43.7°(0.19), 48.6°(0.18), 51.5°(0.32), 55.3°(0.12), 58.8°(0.09), 65.8°(0.2), 66.7°(0.13). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
JVASP-86099
9.07 9.07 6.64 90 90 120 Ho 0.000 0.761 0.750 Ho 0.667 0.333 0.000 Ho 0.333 0.667 0.000 Ho 0.239 0.239 0.750 Ho 0.667 0.333 0.500 Ho -0.000 0.239 0.250 Ho 0.761 0.000 0.750 Ho 0.761 0.761 0.250 Ho 0.333 0.667 0.500 Ho 0.239 0.000 0.250 Ni 0.000 0.000 0.000 Ni 0.000 0.000 0.500 Pb -0.000 0.601 0.250 Pb 0.399 0.399 0.250 Pb 0.601 0.601 0.750 Pb 0.601 0.000 0.250 Pb 0.399 0.000 0.750 Pb 0.000 0.399 0.750
Below is a description of a material.
The chemical formula is: AlCo4. The XRD pattern shows main peaks at: 8.9°(0.27), 17.9°(0.07), 43.5°(1.0), 45.8°(0.27), 51.3°(0.6), 73.9°(0.18). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
JVASP-107776
10.02 10.02 10.02 14 14 14 Al 0.000 0.000 0.000 Co 0.599 0.599 0.599 Co 0.200 0.200 0.200 Co 0.800 0.800 0.800 Co 0.401 0.401 0.401
Below is a description of a material.
The chemical formula is: LiCuS. The XRD pattern shows main peaks at: 16.7°(0.83), 26.2°(0.21), 26.5°(0.19), 28.3°(0.36), 29.6°(0.1), 32.3°(0.09), 33.8°(1.0), 34.5°(0.29), 41.2°(0.25), 43.5°(0.13), 45.8°(0.14), 53.9°(0.17), 54.7°(0.21), 58.6°(0.17), 61.4°(0.15), 67.7°(0.06). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
JVASP-43081
6.04 6.04 6.96 115 115 91 Li 0.738 0.487 0.976 Li 0.988 0.238 0.476 Li 0.015 0.765 0.530 Li 0.265 0.514 0.030 Cu 0.500 0.002 0.502 Cu 0.004 0.001 0.004 Cu 0.502 0.503 0.504 Cu 0.502 1.000 0.001 S 0.903 0.600 0.753 S 0.351 0.152 0.753 S 0.101 0.402 0.253 S 0.652 0.850 0.253