instruction stringclasses 1
value | input stringlengths 172 435 | id stringlengths 7 12 | output stringlengths 43 2.84k |
|---|---|---|---|
Below is a description of a material. | The chemical formula is: Y5Mo2O12.
The XRD pattern shows main peaks at: 12.4°(0.13), 16.4°(0.13), 22.4°(0.13), 24.9°(0.18), 27.7°(1.0), 28.4°(0.95), 30.6°(0.14), 33.1°(0.42), 33.7°(0.21), 34.8°(0.12), 35.4°(0.14), 40.3°(0.37), 46.1°(0.18), 46.7°(0.25), 48.4°(0.32), 49.7°(0.1), 52.2°(0.13), 55.5°(0.11), 56.4°(0.26), 65.... | JVASP-154800 | 6.78 6.78 7.52
73 73 50
Y 0.500 0.500 0.500
Y 0.815 0.815 0.822
Y 0.806 0.806 0.361
Y 0.194 0.194 0.639
Y 0.185 0.185 0.178
Mo 0.718 0.282 0.000
Mo 0.282 0.718 0.000
O 0.598 0.093 0.575
O 0.907 0.402 0.425
O 0.402 0.907 0.425
O 0.080 0.592 0.083
O 0.500 0.500 0.205
O 0.500 0.500 0.795
O 0.001 0.001 0.817
O 0.999 0.999 ... |
Below is a description of a material. | The chemical formula is: HoGaPd.
The XRD pattern shows main peaks at: 23.2°(0.09), 33.6°(0.32), 35.1°(1.0), 37.7°(0.1), 40.8°(0.4), 53.9°(0.08), 54.8°(0.16), 56.6°(0.06), 59.2°(0.08), 62.2°(0.05), 67.2°(0.14), 69.3°(0.08), 70.3°(0.1), 74.1°(0.06), 76.9°(0.08).
Generate atomic structure description with lattice lengths,... | JVASP-152629 | 4.44 6.87 7.64
90 90 90
Ho 0.250 0.985 0.299
Ho 0.750 0.515 0.799
Ho 0.750 0.015 0.701
Ho 0.250 0.485 0.201
Ga 0.250 0.321 0.577
Ga 0.750 0.179 0.077
Ga 0.750 0.679 0.423
Ga 0.250 0.821 0.923
Pd 0.250 0.221 0.905
Pd 0.750 0.279 0.405
Pd 0.750 0.779 0.095
Pd 0.250 0.721 0.595 |
Below is a description of a material. | The chemical formula is: Bi2Pd3Se2.
The XRD pattern shows main peaks at: 14.4°(0.57), 20.8°(0.29), 29.0°(0.25), 29.4°(0.89), 29.6°(1.0), 32.4°(0.26), 33.1°(0.45), 35.9°(0.97), 36.7°(0.98), 39.4°(0.26), 39.7°(0.26), 41.7°(0.54), 42.4°(0.97), 49.2°(0.28), 52.6°(0.27), 53.0°(0.16), 60.9°(0.25), 61.5°(0.31), 62.0°(0.22), 7... | JVASP-153038 | 7.35 7.35 8.52
55 55 71
Bi 0.209 0.209 0.806
Bi 0.791 0.791 0.194
Bi 0.750 0.750 0.762
Bi 0.250 0.250 0.238
Pd 0.500 -0.000 0.000
Pd 0.000 0.500 0.000
Pd 0.029 0.029 0.691
Pd 0.971 0.971 0.309
Pd 0.282 0.718 0.000
Pd 0.718 0.282 0.000
Se 0.323 0.740 0.678
Se 0.260 0.677 0.322
Se 0.677 0.260 0.322
Se 0.740 0.323 0.678 |
Below is a description of a material. | The chemical formula is: NOF.
The XRD pattern shows main peaks at: 23.5°(0.18), 28.0°(0.52), 29.1°(0.62), 32.1°(0.73), 33.3°(0.44), 35.1°(1.0), 36.7°(0.74), 41.8°(0.54), 44.5°(0.11), 45.5°(0.22), 47.4°(0.06), 48.3°(0.13), 51.6°(0.07), 52.4°(0.1), 53.6°(0.07), 54.1°(0.15), 56.0°(0.08), 60.3°(0.06), 71.3°(0.07), 72.0°(0.... | JVASP-152228 | 3.83 4.07 10.24
90 90 90
N 0.690 -0.018 0.587
N 0.810 0.018 0.087
N 0.310 0.482 0.913
N 0.190 0.518 0.413
O 0.915 0.951 0.657
O 0.585 0.049 0.157
O 0.085 0.451 0.843
O 0.415 0.549 0.343
F 0.484 0.354 0.619
F 0.016 0.646 0.119
F 0.516 0.854 0.881
F -0.016 0.146 0.381 |
Below is a description of a material. | The chemical formula is: ReO3.
The XRD pattern shows main peaks at: 23.4°(1.0), 33.4°(0.53), 41.2°(0.14), 47.9°(0.2), 54.0°(0.41), 59.6°(0.22), 70.1°(0.11), 75.0°(0.19), 79.9°(0.09), 84.6°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-153839 | 6.58 6.58 6.58
109 109 109
Re 0.500 0.000 0.000
Re 0.000 0.500 0.000
Re 0.000 0.000 0.500
Re 0.500 0.500 0.500
O 0.500 0.750 0.750
O 0.000 0.750 0.250
O -0.000 0.250 0.750
O 0.500 0.250 0.250
O 0.750 -0.000 0.250
O 0.250 0.500 0.250
O 0.750 0.500 0.750
O 0.250 0.000 0.750
O 0.750 0.250 0.000
O 0.750 0.750 0.500
O 0.250... |
Below is a description of a material. | The chemical formula is: ReC2.
The XRD pattern shows main peaks at: 26.4°(0.49), 34.7°(1.0), 45.8°(0.29), 52.2°(0.42), 53.7°(0.3), 54.4°(0.07), 66.8°(0.09), 73.2°(0.12), 73.8°(0.12), 77.6°(0.19), 78.7°(0.1), 89.6°(0.19).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-148747 | 3.91 3.91 3.91
138 138 60
Re 0.000 0.000 0.000
C 0.335 0.335 0.000
C 0.665 0.665 0.000 |
Below is a description of a material. | The chemical formula is: KGe2Rh2.
The XRD pattern shows main peaks at: 15.4°(1.0), 22.5°(0.12), 31.6°(0.49), 33.9°(0.68), 43.0°(0.58), 43.8°(0.65), 46.0°(0.23), 54.3°(0.21), 57.1°(0.35), 62.5°(0.19), 64.8°(0.14), 73.0°(0.13), 79.4°(0.24), 80.9°(0.14), 87.4°(0.05), 89.7°(0.2).
Generate atomic structure description with ... | JVASP-155681 | 6.48 6.48 6.48
142 142 54
K 0.000 0.000 0.000
Ge 0.360 0.360 0.000
Ge 0.640 0.640 0.000
Rh 0.750 0.250 0.500
Rh 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: CoRh2S4.
The XRD pattern shows main peaks at: 15.9°(0.33), 26.0°(0.13), 30.6°(1.0), 32.0°(0.08), 37.2°(0.55), 40.6°(0.07), 45.9°(0.05), 48.9°(0.41), 53.6°(0.77), 56.2°(0.07), 63.0°(0.13), 67.0°(0.13), 75.5°(0.21), 79.2°(0.12), 87.3°(0.07).
Generate atomic structure description with lattice leng... | JVASP-152829 | 6.84 6.84 6.84
60 60 60
Co 0.000 0.000 0.000
Co 0.250 0.250 0.250
Rh 0.625 0.625 0.625
Rh 0.125 0.625 0.625
Rh 0.625 0.625 0.125
Rh 0.625 0.125 0.625
S 0.378 0.378 0.378
S 0.867 0.378 0.378
S 0.378 0.378 0.867
S 0.378 0.867 0.378
S 0.383 0.872 0.872
S 0.872 0.872 0.872
S 0.872 0.872 0.383
S 0.872 0.383 0.872 |
Below is a description of a material. | The chemical formula is: Ta2FeB2.
The XRD pattern shows main peaks at: 27.2°(0.5), 30.5°(0.3), 34.2°(0.84), 34.8°(0.18), 41.3°(0.77), 43.6°(0.18), 44.2°(1.0), 49.1°(0.25), 56.0°(0.18), 57.0°(0.05), 65.1°(0.08), 65.6°(0.26), 67.3°(0.24), 67.7°(0.08), 72.4°(0.35), 73.6°(0.07), 74.4°(0.24), 77.6°(0.11).
Generate atomic st... | JVASP-151436 | 5.87 5.87 3.28
90 90 90
Ta 0.182 0.682 0.500
Ta 0.818 0.318 0.500
Ta 0.318 0.182 0.500
Ta 0.682 0.818 0.500
Fe 0.000 0.000 0.000
Fe 0.500 0.500 0.000
B 0.609 0.109 0.000
B 0.391 0.891 0.000
B 0.891 0.609 0.000
B 0.109 0.391 0.000 |
Below is a description of a material. | The chemical formula is: YbAl8Cr4.
The XRD pattern shows main peaks at: 14.1°(0.4), 20.1°(0.4), 28.4°(0.62), 31.8°(0.24), 35.0°(0.33), 38.1°(0.08), 40.6°(1.0), 43.1°(0.08), 45.8°(0.09), 48.2°(0.15), 54.6°(0.11), 56.9°(0.07), 58.9°(0.28), 63.1°(0.06), 66.5°(0.16), 66.9°(0.12), 72.2°(0.05), 73.9°(0.23), 88.5°(0.09).
Gene... | JVASP-153546 | 6.79 6.79 6.79
98 98 135
Yb 0.000 0.000 0.000
Al -0.000 0.329 0.329
Al -0.000 0.671 0.671
Al 0.671 -0.000 0.671
Al 0.329 -0.000 0.329
Al 0.500 0.270 0.770
Al 0.500 0.730 0.230
Al 0.730 0.500 0.230
Al 0.270 0.500 0.770
Cr 0.500 0.000 0.000
Cr -0.000 0.500 0.000
Cr 0.500 0.500 0.500
Cr 0.000 0.000 0.500 |
Below is a description of a material. | The chemical formula is: KCr2Fe3O14.
The XRD pattern shows main peaks at: 14.3°(0.2), 15.7°(0.28), 17.7°(0.77), 26.0°(0.12), 28.8°(0.24), 29.8°(1.0), 30.5°(0.5), 31.7°(0.1), 35.9°(0.12), 37.1°(0.31), 43.8°(0.14), 48.4°(0.24), 53.6°(0.34), 58.6°(0.27).
Generate atomic structure description with lattice lengths, angles, ... | JVASP-146983 | 7.35 7.35 7.35
55 55 55
K 0.000 0.000 0.000
Cr 0.700 0.700 0.700
Cr 0.300 0.300 0.300
Fe -0.000 0.500 0.000
Fe 0.000 -0.000 0.500
Fe 0.500 0.000 0.000
O 0.276 0.901 0.276
O 0.099 0.724 0.724
O 0.724 0.724 0.099
O 0.724 0.099 0.724
O 0.536 0.134 0.134
O 0.134 0.134 0.536
O 0.866 0.866 0.464
O 0.464 0.866 0.866
O 0.276 0... |
Below is a description of a material. | The chemical formula is: YbCo3B2.
The XRD pattern shows main peaks at: 20.0°(0.47), 35.0°(0.19), 38.2°(1.0), 40.7°(0.9), 48.3°(0.61), 64.9°(0.41), 67.4°(0.08), 72.4°(0.16), 74.0°(0.18), 81.8°(0.23), 86.5°(0.17), 88.0°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-149334 | 5.13 5.13 2.78
90 90 119
Yb 0.000 0.000 0.000
Co -0.000 0.500 0.500
Co 0.500 0.500 0.500
Co 0.500 0.000 0.500
B 0.667 0.333 0.000
B 0.333 0.667 0.000 |
Below is a description of a material. | The chemical formula is: Si2W3.
The XRD pattern shows main peaks at: 26.9°(0.05), 30.0°(0.57), 33.1°(0.6), 38.3°(0.71), 40.8°(1.0), 43.0°(0.72), 55.5°(0.19), 57.1°(0.09), 62.5°(0.3), 64.3°(0.22), 65.9°(0.3), 69.4°(0.06), 72.7°(0.3), 77.3°(0.05), 78.9°(0.09), 83.6°(0.19), 88.3°(0.09).
Generate atomic structure descripti... | JVASP-150801 | 6.65 6.65 3.31
90 90 90
Si 0.635 0.135 0.000
Si 0.365 0.865 0.000
Si 0.865 0.635 0.000
Si 0.135 0.365 0.000
W 0.000 0.000 0.000
W 0.500 0.500 0.000
W 0.159 0.659 0.500
W 0.841 0.341 0.500
W 0.341 0.159 0.500
W 0.659 0.841 0.500 |
Below is a description of a material. | The chemical formula is: InBiS3.
The XRD pattern shows main peaks at: 13.5°(0.51), 16.6°(0.65), 22.0°(0.2), 24.4°(0.34), 27.2°(0.22), 27.7°(0.45), 29.1°(0.55), 29.8°(0.14), 31.9°(0.55), 32.6°(1.0), 35.6°(0.22), 36.4°(0.1), 39.8°(0.11), 44.4°(0.09), 45.0°(0.36), 46.2°(0.39), 47.4°(0.35), 50.8°(0.09), 54.4°(0.15), 57.3°(... | JVASP-151676 | 3.93 6.59 9.85
86 90 90
In 0.637 0.757 0.992
In 0.137 0.243 0.008
Bi 0.637 0.391 0.352
Bi 0.137 0.609 0.648
S 0.137 0.246 0.522
S 0.637 0.754 0.478
S 0.637 0.429 0.850
S 0.137 0.571 0.150
S 0.637 0.070 0.150
S 0.137 0.930 0.850 |
Below is a description of a material. | The chemical formula is: Rb2SCl6.
The XRD pattern shows main peaks at: 15.6°(0.12), 18.0°(0.08), 25.6°(0.38), 31.5°(1.0), 36.5°(0.71), 45.1°(0.14), 52.6°(0.43), 62.6°(0.35), 65.7°(0.14), 77.6°(0.06), 86.1°(0.07), 88.9°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-155340 | 6.96 6.96 6.96
60 60 60
Rb 0.250 0.250 0.250
Rb 0.750 0.750 0.750
S 0.000 0.000 0.000
Cl 0.761 0.239 0.239
Cl 0.239 0.761 0.239
Cl 0.761 0.761 0.239
Cl 0.761 0.239 0.761
Cl 0.239 0.761 0.761
Cl 0.239 0.239 0.761 |
Below is a description of a material. | The chemical formula is: Th2BiSb.
The XRD pattern shows main peaks at: 32.4°(1.0), 46.4°(0.19), 57.7°(0.4), 67.8°(0.12), 77.1°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-156859 | 5.53 5.53 5.53
60 60 60
Th 0.000 0.000 0.000
Th 0.500 0.500 0.500
Bi 0.250 0.250 0.250
Sb 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: LiYPb.
The XRD pattern shows main peaks at: 24.2°(0.08), 24.9°(1.0), 32.7°(0.64), 38.2°(0.5), 43.0°(0.24), 45.7°(0.1), 46.1°(0.2), 49.5°(0.08), 51.1°(0.18), 58.8°(0.1), 61.4°(0.17), 64.1°(0.21), 65.6°(0.17), 67.6°(0.06), 69.0°(0.09), 72.3°(0.11), 87.0°(0.07), 89.5°(0.1).
Generate atomic structu... | JVASP-156275 | 4.72 4.72 7.37
90 90 59
Li 0.333 0.333 0.250
Li 0.667 0.667 0.750
Y 0.000 0.000 0.000
Y 0.000 0.000 0.500
Pb 0.667 0.667 0.250
Pb 0.333 0.333 0.750 |
Below is a description of a material. | The chemical formula is: ZnNi4O8.
The XRD pattern shows main peaks at: 18.2°(1.0), 19.0°(0.32), 21.7°(0.18), 31.4°(0.05), 36.9°(0.39), 38.5°(0.35), 44.3°(1.0), 57.8°(0.15), 63.2°(0.27), 65.5°(0.3), 68.6°(0.13), 75.5°(0.05), 77.6°(0.08), 82.5°(0.14).
Generate atomic structure description with lattice lengths, angles, co... | JVASP-147382 | 5.70 5.89 8.20
87 90 90
Zn 1.000 0.000 0.500
Zn 0.500 0.500 0.000
Ni 0.250 0.250 0.750
Ni 0.500 0.000 0.000
Ni 0.000 0.500 0.500
Ni 0.750 0.750 0.250
Ni 0.750 0.250 0.750
Ni -0.000 0.000 0.000
Ni 0.500 0.500 0.500
Ni 0.250 0.750 0.250
O 0.764 0.725 0.480
O 0.500 0.539 0.256
O -0.000 0.039 0.756
O 0.500 0.461 0.744
O 0.... |
Below is a description of a material. | The chemical formula is: Sr5Ge3.
The XRD pattern shows main peaks at: 11.2°(0.1), 25.2°(0.05), 27.4°(0.12), 29.9°(1.0), 31.2°(0.2), 31.7°(0.58), 34.1°(0.13), 35.0°(0.48), 37.8°(0.15), 40.5°(0.11), 46.0°(0.12), 46.6°(0.14), 47.5°(0.08), 49.5°(0.17), 53.3°(0.18), 63.1°(0.16), 64.4°(0.06), 67.4°(0.06).
Generate atomic str... | JVASP-154134 | 9.75 9.75 9.75
130 130 71
Sr 0.000 0.000 0.000
Sr 0.500 0.500 0.000
Sr 0.820 0.320 0.855
Sr 0.464 0.964 0.145
Sr 0.320 0.464 0.500
Sr 0.964 0.820 0.500
Sr 0.036 0.180 0.500
Sr 0.680 0.536 0.500
Sr 0.536 0.036 0.855
Sr 0.180 0.680 0.145
Ge 0.250 0.250 0.000
Ge 0.750 0.750 0.000
Ge 0.886 0.386 0.271
Ge 0.114 0.614 0.729
... |
Below is a description of a material. | The chemical formula is: CeSi.
The XRD pattern shows main peaks at: 21.6°(0.28), 26.5°(0.32), 27.4°(0.38), 29.5°(1.0), 31.6°(0.75), 32.5°(0.8), 35.2°(0.48), 36.2°(0.5), 40.0°(0.43), 46.5°(0.24), 46.8°(0.2), 50.1°(0.2), 51.3°(0.34), 51.8°(0.14), 57.3°(0.18), 57.8°(0.35), 60.2°(0.21), 68.1°(0.13), 69.8°(0.16), 72.7°(0.13... | JVASP-149687 | 3.91 5.86 8.23
90 90 90
Ce 0.750 0.886 0.181
Ce 0.250 0.386 0.319
Ce 0.250 0.114 0.819
Ce 0.750 0.614 0.681
Si 0.750 0.377 0.035
Si 0.250 0.877 0.465
Si 0.250 0.623 0.965
Si 0.750 0.123 0.535 |
Below is a description of a material. | The chemical formula is: LiPr2Ag.
The XRD pattern shows main peaks at: 20.4°(0.17), 23.6°(0.21), 33.6°(1.0), 39.6°(0.09), 41.5°(0.06), 48.3°(0.17), 54.4°(0.09), 60.1°(0.37), 70.6°(0.1), 80.5°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-157243 | 5.33 5.33 5.33
60 60 60
Li 0.750 0.750 0.750
Pr 0.000 0.000 0.000
Pr 0.500 0.500 0.500
Ag 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: CeZnPd.
The XRD pattern shows main peaks at: 24.2°(0.12), 28.0°(0.11), 33.1°(0.88), 36.1°(1.0), 37.4°(0.36), 42.6°(0.32), 43.9°(0.24), 45.5°(0.25), 51.8°(0.12), 57.0°(0.19), 60.3°(0.17), 64.1°(0.17), 68.4°(0.26), 71.3°(0.1), 76.1°(0.05), 77.8°(0.1), 78.9°(0.1).
Generate atomic structure descrip... | JVASP-150321 | 7.35 7.35 3.99
90 90 119
Ce 0.410 -0.000 0.000
Ce -0.000 0.410 0.000
Ce 0.590 0.590 0.000
Zn 0.756 -0.000 0.500
Zn -0.000 0.756 0.500
Zn 0.244 0.244 0.500
Pd 0.000 0.000 0.000
Pd 0.667 0.333 0.500
Pd 0.333 0.667 0.500 |
Below is a description of a material. | The chemical formula is: InNi3.
The XRD pattern shows main peaks at: 28.7°(0.15), 39.0°(0.26), 42.9°(0.28), 44.7°(1.0), 59.4°(0.14), 70.7°(0.12), 79.9°(0.17), 86.4°(0.14), 87.5°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-149894 | 5.33 5.33 4.21
90 90 119
In 0.334 0.666 0.250
In 0.666 0.334 0.750
Ni 0.844 0.687 0.250
Ni 0.313 0.156 0.250
Ni 0.844 0.156 0.250
Ni 0.156 0.313 0.750
Ni 0.687 0.844 0.750
Ni 0.156 0.844 0.750 |
Below is a description of a material. | The chemical formula is: Tm2Fe12P7.
The XRD pattern shows main peaks at: 19.9°(0.08), 27.1°(0.14), 30.7°(0.07), 33.9°(0.09), 34.9°(0.12), 39.6°(1.0), 40.5°(0.09), 42.2°(0.06), 43.1°(0.06), 47.1°(0.1), 49.4°(0.06), 50.2°(0.17), 54.5°(0.15), 57.9°(0.08), 71.3°(0.05), 77.3°(0.09), 87.1°(0.07).
Generate atomic structure de... | JVASP-133266 | 3.63 8.91 8.91
119 90 90
Tm 0.000 0.667 0.333
Tm 0.500 0.333 0.667
Fe 0.500 0.789 0.883
Fe 0.500 0.094 0.211
Fe 0.500 0.117 0.906
Fe 0.500 0.434 0.385
Fe 0.500 0.951 0.566
Fe 0.500 0.615 0.049
Fe 0.000 0.274 0.155
Fe 0.000 0.881 0.726
Fe 0.000 0.574 0.631
Fe 0.000 0.057 0.426
Fe 0.000 0.369 0.943
Fe 0.000 0.845 0.119
P... |
Below is a description of a material. | The chemical formula is: Zr3Cu4Si4.
The XRD pattern shows main peaks at: 26.5°(0.09), 29.9°(0.14), 30.5°(0.12), 36.8°(1.0), 38.3°(0.85), 41.2°(0.28), 41.7°(0.24), 46.0°(0.38), 47.3°(0.37), 50.5°(0.15), 57.5°(0.06), 60.4°(0.14), 61.9°(0.12), 63.0°(0.06), 63.5°(0.13), 65.4°(0.08), 68.1°(0.22), 79.1°(0.08), 80.0°(0.13), 8... | JVASP-151023 | 7.58 7.58 7.58
149 129 59
Zr 0.500 0.000 0.500
Zr 0.125 0.125 0.000
Zr 0.875 0.875 0.000
Cu 0.139 0.331 0.808
Cu 0.861 0.669 0.192
Cu 0.477 0.669 0.808
Cu 0.523 0.331 0.192
Si 0.716 0.216 0.500
Si 0.284 0.784 0.500
Si 0.809 0.500 0.309
Si 0.191 0.500 0.691 |
Below is a description of a material. | The chemical formula is: K2RuCl5O.
The XRD pattern shows main peaks at: 13.8°(1.0), 18.1°(0.19), 20.0°(0.13), 20.5°(0.11), 25.8°(0.11), 27.5°(0.33), 28.9°(0.19), 29.3°(0.25), 31.0°(0.09), 33.2°(0.46), 36.7°(0.73), 41.8°(0.17), 52.9°(0.23), 56.8°(0.06), 78.1°(0.06).
Generate atomic structure description with lattice len... | JVASP-145127 | 9.93 9.93 9.93
139 139 59
K 0.000 0.500 0.500
K 0.500 0.000 0.500
K 0.750 0.250 0.500
K 0.250 0.750 0.500
Ru 0.895 0.895 -0.000
Ru 0.105 0.105 0.000
Cl 0.356 0.872 0.000
Cl 0.872 0.356 0.000
Cl 0.356 0.356 0.485
Cl 0.872 0.872 0.515
Cl 0.644 0.128 -0.000
Cl 0.128 0.128 0.485
Cl 0.644 0.644 0.515
Cl 0.241 0.241 0.000
Cl... |
Below is a description of a material. | The chemical formula is: Yb2AsPd.
The XRD pattern shows main peaks at: 25.6°(0.1), 36.5°(1.0), 52.5°(0.18), 65.6°(0.36), 77.5°(0.12), 88.8°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-157072 | 4.93 4.93 4.93
60 60 60
Yb 0.000 0.000 0.000
Yb 0.500 0.500 0.500
As 0.250 0.250 0.250
Pd 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: Li3Fe2Si2O8.
The XRD pattern shows main peaks at: 16.4°(0.5), 23.9°(1.0), 29.1°(0.34), 33.0°(0.17), 33.6°(0.59), 35.1°(0.39), 36.2°(0.07), 38.9°(0.06), 48.0°(0.09), 49.0°(0.13), 49.7°(0.06), 60.3°(0.1), 61.8°(0.1), 62.3°(0.1), 76.9°(0.06).
Generate atomic structure description with lattice leng... | JVASP-144889 | 10.84 5.11 6.14
89 90 90
Li 0.833 0.547 0.753
Li 0.333 0.453 0.247
Li 0.169 0.952 0.244
Li 0.669 0.058 0.241
Li 0.669 0.048 0.756
Li 0.169 0.942 0.759
Fe 0.581 0.449 0.496
Fe 0.081 0.551 0.504
Fe 0.418 0.073 0.979
Fe 0.918 0.927 0.021
Si 0.083 0.437 0.000
Si 0.583 0.563 -0.000
Si 0.416 0.939 0.489
Si 0.916 0.061 0.511
... |
Below is a description of a material. | The chemical formula is: CoTePb2O6.
The XRD pattern shows main peaks at: 22.1°(0.23), 31.2°(1.0), 31.6°(0.93), 38.5°(0.16), 39.1°(0.06), 45.0°(0.53), 55.7°(0.41), 56.4°(0.19), 65.1°(0.16), 65.9°(0.17), 74.1°(0.16), 74.7°(0.18), 82.6°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates... | JVASP-150554 | 5.67 5.67 5.67
60 60 60
Co 0.000 0.000 0.000
Te 0.500 0.500 0.500
Pb 0.750 0.750 0.750
Pb 0.250 0.250 0.250
O 0.797 0.258 0.692
O 0.258 0.692 0.797
O 0.692 0.797 0.258
O 0.203 0.742 0.308
O 0.742 0.308 0.203
O 0.308 0.203 0.742 |
Below is a description of a material. | The chemical formula is: KNbWO6.
The XRD pattern shows main peaks at: 14.7°(1.0), 17.1°(0.11), 24.0°(0.06), 27.9°(0.55), 28.5°(0.31), 29.3°(0.42), 29.6°(0.49), 33.9°(0.16), 34.6°(0.06), 45.1°(0.11), 48.2°(0.05), 49.2°(0.34).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-147597 | 7.41 7.41 7.41
118 119 91
K 0.096 0.220 0.624
K 0.904 0.528 0.124
Nb 0.500 0.978 0.478
Nb 0.000 0.978 0.978
W 0.500 0.462 0.462
W 0.500 0.962 0.962
O 0.440 0.677 0.376
O 0.805 0.054 0.115
O 0.437 0.676 0.739
O 0.818 0.070 0.752
O 0.560 0.936 0.237
O 0.199 0.936 0.876
O 0.561 0.310 0.615
O 0.801 0.677 0.737
O 0.563 0.30... |
Below is a description of a material. | The chemical formula is: CaSi2Ag2.
The XRD pattern shows main peaks at: 16.8°(0.48), 29.5°(0.13), 32.9°(0.06), 34.1°(1.0), 42.2°(0.31), 45.6°(0.39), 55.2°(0.12), 61.0°(0.12), 63.9°(0.05), 69.1°(0.07), 71.9°(0.23), 79.5°(0.11), 86.7°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates ... | JVASP-155682 | 6.08 6.08 6.08
138 138 59
Ca 0.000 0.000 0.000
Si 0.391 0.391 0.000
Si 0.609 0.609 0.000
Ag 0.750 0.250 0.500
Ag 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: U2CoS5.
The XRD pattern shows main peaks at: 21.0°(0.79), 24.7°(0.24), 25.9°(1.0), 27.2°(0.22), 28.1°(0.21), 29.7°(0.25), 30.0°(0.14), 34.2°(0.12), 35.4°(0.18), 37.4°(0.13), 38.3°(0.43), 39.0°(0.16), 39.7°(0.12), 40.7°(0.13), 41.8°(0.29), 42.7°(0.16), 43.1°(0.23), 50.4°(0.15), 53.2°(0.12), 56.2... | JVASP-154616 | 7.87 7.87 6.96
83 83 44
U 0.314 0.903 0.917
U 0.097 0.686 0.583
U 0.686 0.097 0.083
U 0.903 0.314 0.417
Co 0.500 0.000 0.500
Co 0.000 0.500 -0.000
S 0.903 0.097 0.750
S 0.097 0.903 0.250
S 0.475 0.711 0.574
S 0.289 0.525 0.926
S 0.525 0.289 0.426
S 0.711 0.475 0.074
S 0.695 0.861 0.808
S 0.139 0.305 0.692
S 0.305 0.139... |
Below is a description of a material. | The chemical formula is: Li8FeO6.
The XRD pattern shows main peaks at: 17.9°(0.98), 19.3°(0.7), 19.8°(0.81), 20.8°(0.76), 21.5°(0.71), 22.9°(0.6), 23.2°(0.58), 29.5°(0.22), 31.3°(0.24), 34.5°(0.18), 35.4°(1.0), 39.1°(0.7), 39.6°(0.53), 47.0°(0.35), 49.6°(0.27), 51.2°(0.41), 51.8°(0.41), 57.8°(0.3), 58.4°(0.28), 62.5°(0... | JVASP-146264 | 5.26 5.75 8.35
96 85 89
Li 0.164 0.421 0.064
Li 0.969 0.677 0.655
Li 0.031 0.323 0.345
Li 0.531 0.823 0.845
Li 0.144 0.729 0.372
Li 0.644 0.229 0.872
Li 0.856 0.271 0.628
Li 0.356 0.771 0.128
Li 0.469 0.177 0.155
Li 0.687 0.547 0.210
Li 0.813 0.953 0.290
Li 0.313 0.453 0.790
Li 0.336 0.079 0.436
Li 0.836 0.579 0.936
Li... |
Below is a description of a material. | The chemical formula is: VOF3.
The XRD pattern shows main peaks at: 15.6°(0.53), 19.3°(1.0), 24.9°(1.0), 27.7°(0.66), 35.4°(0.12), 37.3°(0.2), 38.0°(0.18), 39.2°(0.15), 41.3°(0.09), 45.2°(0.75), 46.5°(0.31), 50.2°(0.12), 52.3°(0.17), 59.9°(0.09), 63.8°(0.25), 65.8°(0.14), 66.8°(0.27), 69.3°(0.06), 81.7°(0.07), 84.4°(0.... | JVASP-146617 | 5.67 5.67 7.82
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 0.033 0.757 0.732
O 0.243 0.033 0.982
O 0.757 0.967 0.482
O 0.967 0.243 0.232
F 0.770 0.510 0.510
F 0.782 0.015 0.015
F 0.525 0.767 0.223
F 0.510 0.230 0.260
F 0.490 0.770 0.760
F 0.233 0.525 0.473
F 0.218 0.985 ... |
Below is a description of a material. | The chemical formula is: ThInPt.
The XRD pattern shows main peaks at: 23.3°(0.12), 26.9°(0.09), 31.7°(0.87), 34.5°(1.0), 35.9°(0.36), 40.9°(0.35), 42.1°(0.26), 43.1°(0.26), 47.6°(0.05), 49.7°(0.13), 54.6°(0.18), 57.3°(0.17), 61.0°(0.21), 65.4°(0.29), 67.9°(0.1), 71.9°(0.08), 73.6°(0.11), 75.3°(0.11).
Generate atomic st... | JVASP-150110 | 7.64 7.64 4.19
90 90 120
Th 0.588 0.000 0.500
Th 0.000 0.588 0.500
Th 0.412 0.412 0.500
In 0.249 0.000 0.000
In 0.000 0.249 0.000
In 0.751 0.751 0.000
Pt 0.333 0.667 0.000
Pt 0.667 0.333 0.000
Pt 1.000 1.000 0.500 |
Below is a description of a material. | The chemical formula is: Sm3Mg2MoS8.
The XRD pattern shows main peaks at: 13.7°(0.68), 14.1°(0.34), 26.5°(0.54), 27.0°(0.23), 27.7°(0.2), 28.5°(0.06), 32.3°(1.0), 35.4°(0.17), 45.8°(0.44), 46.8°(0.41), 57.2°(0.18), 58.9°(0.05), 67.6°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates... | JVASP-146072 | 7.92 7.76 7.92
59 60 59
Sm 0.500 0.500 0.500
Sm 0.500 0.500 0.000
Sm 0.000 0.500 0.500
Mg 0.875 0.875 0.875
Mg 0.125 0.125 0.125
Mo 0.500 1.000 0.500
S 0.733 0.771 0.733
S 0.267 0.229 0.736
S 0.253 0.741 0.253
S 0.736 0.229 0.267
S 0.747 0.259 0.747
S 0.264 0.771 0.733
S 0.267 0.229 0.267
S 0.733 0.771 0.264 |
Below is a description of a material. | The chemical formula is: Na2PS3.
The XRD pattern shows main peaks at: 12.3°(0.17), 15.9°(0.46), 20.1°(0.07), 24.8°(0.18), 29.5°(0.16), 31.5°(0.5), 32.0°(1.0), 32.9°(0.08), 36.9°(0.09), 43.0°(0.11), 43.6°(0.23), 47.5°(0.35), 48.7°(0.17), 50.8°(0.08), 57.6°(0.06), 59.2°(0.12), 76.4°(0.06).
Generate atomic structure descr... | JVASP-145882 | 6.53 6.53 7.52
81 81 118
Na 0.338 0.662 0.000
Na 0.662 0.338 0.000
Na 0.185 0.815 0.500
Na 0.815 0.185 0.500
P 0.055 0.055 0.840
P 0.945 0.945 0.160
S 0.791 0.791 0.754
S 0.209 0.209 0.246
S 0.379 0.074 0.767
S 0.074 0.379 0.767
S 0.621 0.926 0.233
S 0.926 0.621 0.233 |
Below is a description of a material. | The chemical formula is: HfCrSi.
The XRD pattern shows main peaks at: 17.4°(0.21), 26.6°(0.29), 28.2°(0.41), 29.0°(0.13), 35.2°(0.11), 37.1°(1.0), 39.1°(0.62), 42.1°(0.1), 45.5°(0.14), 46.8°(0.23), 52.9°(0.2), 55.5°(0.13), 60.7°(0.14), 61.5°(0.11), 65.2°(0.12), 66.2°(0.21), 69.3°(0.1), 71.8°(0.11), 73.3°(0.12), 86.3°(0... | JVASP-153262 | 3.46 6.70 7.85
90 90 90
Hf 0.250 0.044 0.331
Hf 0.750 0.456 0.831
Hf 0.750 0.956 0.669
Hf 0.250 0.544 0.169
Cr 0.250 0.124 0.941
Cr 0.750 0.376 0.441
Cr 0.750 0.876 0.059
Cr 0.250 0.624 0.559
Si 0.250 0.259 0.633
Si 0.750 0.241 0.133
Si 0.750 0.741 0.367
Si 0.250 0.759 0.867 |
Below is a description of a material. | The chemical formula is: Nb5Ir7.
The XRD pattern shows main peaks at: 6.4°(0.17), 19.3°(0.09), 22.3°(0.07), 26.6°(0.13), 31.4°(0.09), 37.1°(0.2), 37.5°(0.23), 38.8°(0.71), 39.2°(0.42), 41.6°(1.0), 45.2°(0.47), 45.6°(0.29), 49.9°(0.1), 65.4°(0.15), 66.2°(0.26), 77.9°(0.05), 79.0°(0.11), 80.8°(0.05), 81.8°(0.12), 83.4°(0... | JVASP-146440 | 2.85 4.87 13.81
90 90 90
Nb 0.000 0.691 0.340
Nb 0.000 0.330 0.166
Nb 0.000 0.691 0.660
Nb 0.000 0.330 0.834
Nb 0.000 0.955 0.000
Ir 0.500 0.463 0.000
Ir 0.500 0.508 0.500
Ir 0.500 0.179 0.335
Ir 0.500 0.826 0.170
Ir 0.500 0.179 0.665
Ir 0.500 0.826 0.830
Ir 0.000 0.022 0.500 |
Below is a description of a material. | The chemical formula is: YbCdAu.
The XRD pattern shows main peaks at: 23.4°(0.15), 26.3°(0.14), 31.6°(0.42), 32.3°(0.57), 33.9°(1.0), 37.0°(0.42), 39.1°(0.66), 40.5°(0.08), 42.2°(0.43), 42.7°(0.42), 44.0°(0.1), 47.8°(0.08), 50.9°(0.11), 54.7°(0.14), 60.4°(0.15), 61.6°(0.28), 68.5°(0.22), 72.6°(0.11), 75.8°(0.17), 78.2°... | JVASP-151227 | 4.23 7.33 8.90
90 90 90
Yb 0.250 0.054 0.317
Yb 0.750 0.446 0.817
Yb 0.750 0.946 0.683
Yb 0.250 0.554 0.183
Cd 0.250 0.138 0.941
Cd 0.750 0.362 0.441
Cd 0.750 0.862 0.059
Cd 0.250 0.638 0.559
Au 0.250 0.232 0.632
Au 0.750 0.268 0.132
Au 0.750 0.768 0.368
Au 0.250 0.732 0.868 |
Below is a description of a material. | The chemical formula is: NaCrSi2O6.
The XRD pattern shows main peaks at: 14.0°(0.43), 20.3°(0.23), 30.0°(1.0), 30.9°(0.62), 35.5°(0.76), 36.5°(0.43), 41.1°(0.22), 42.9°(0.26), 43.3°(0.13), 44.6°(0.11), 53.4°(0.12), 56.3°(0.18), 57.4°(0.19), 58.3°(0.08), 60.5°(0.11), 61.7°(0.14), 67.4°(0.2), 71.1°(0.1), 75.3°(0.11), 78.... | JVASP-154993 | 6.50 6.50 5.30
77 77 84
Na 0.300 0.700 0.750
Na 0.700 0.300 0.250
Cr 0.908 0.092 0.750
Cr 0.092 0.908 0.250
Si 0.799 0.615 0.734
Si 0.385 0.201 0.766
Si 0.615 0.799 0.234
Si 0.201 0.385 0.266
O 0.621 0.100 0.693
O 0.806 0.967 0.137
O 0.379 0.900 0.307
O 0.100 0.621 0.193
O 0.365 0.343 0.992
O 0.657 0.635 0.508
O 0.635 ... |
Below is a description of a material. | The chemical formula is: HoMoBrO4.
The XRD pattern shows main peaks at: 13.7°(0.32), 17.9°(0.23), 24.1°(0.08), 24.9°(1.0), 26.0°(0.46), 27.5°(0.24), 28.1°(0.21), 30.2°(0.22), 30.6°(0.14), 31.2°(0.27), 33.1°(0.11), 33.8°(0.25), 35.7°(0.16), 36.5°(0.13), 36.9°(0.12), 39.3°(0.08), 46.0°(0.09), 48.7°(0.09), 51.1°(0.12), 51... | JVASP-147188 | 6.90 7.20 10.80
103 107 94
Ho 0.656 0.112 0.732
Ho 0.344 0.888 0.268
Ho 0.383 0.661 0.767
Ho 0.617 0.339 0.233
Mo 0.729 0.815 0.133
Mo 0.271 0.185 0.867
Mo 0.774 0.593 0.627
Mo 0.226 0.407 0.373
Br 0.816 0.286 0.020
Br 0.184 0.714 0.980
Br 0.740 0.004 0.479
Br 0.260 0.996 0.521
O 0.332 0.491 0.551
O 0.668 0.509 0.449
O... |
Below is a description of a material. | The chemical formula is: TbRb2Br6.
The XRD pattern shows main peaks at: 14.2°(0.27), 16.5°(0.18), 23.4°(0.2), 27.5°(0.26), 28.7°(0.81), 33.3°(1.0), 36.3°(0.17), 37.3°(0.1), 41.0°(0.09), 43.7°(0.08), 47.8°(0.68), 50.1°(0.07), 56.7°(0.32), 59.4°(0.24), 66.7°(0.09), 69.8°(0.11), 77.2°(0.06), 79.6°(0.16), 89.0°(0.06).
Gene... | JVASP-155341 | 7.62 7.62 7.62
60 60 60
Tb 0.000 0.000 0.000
Rb 0.250 0.250 0.250
Rb 0.750 0.750 0.750
Br 0.258 0.742 0.258
Br 0.742 0.258 0.258
Br 0.742 0.742 0.258
Br 0.258 0.742 0.742
Br 0.258 0.258 0.742
Br 0.742 0.258 0.742 |
Below is a description of a material. | The chemical formula is: Tl.
The XRD pattern shows main peaks at: 31.2°(1.0), 36.2°(0.53), 52.2°(0.39), 62.1°(0.47), 65.2°(0.13), 76.9°(0.06), 85.3°(0.2), 88.1°(0.19).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-148753 | 3.51 3.51 3.51
60 60 60
Tl 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: KTlS2.
The XRD pattern shows main peaks at: 16.2°(1.0), 22.9°(0.62), 25.6°(0.18), 30.4°(0.31), 32.7°(0.44), 34.7°(0.83), 36.6°(0.16), 42.0°(0.3), 45.2°(0.36), 46.9°(0.11), 49.9°(0.1), 52.8°(0.25), 54.2°(0.2), 58.2°(0.1), 59.6°(0.25), 63.4°(0.13), 73.2°(0.11), 76.7°(0.11), 77.8°(0.17), 83.6°(0.1... | JVASP-155485 | 6.49 6.49 6.49
106 106 115
K 0.250 0.250 -0.000
K 0.750 0.750 0.000
Tl 0.750 0.250 0.500
Tl 0.250 0.750 0.500
S 0.323 0.823 0.147
S 0.823 0.677 0.500
S 0.177 0.323 0.500
S 0.677 0.177 0.853 |
Below is a description of a material. | The chemical formula is: Dy2AlGe2.
The XRD pattern shows main peaks at: 17.9°(0.14), 20.6°(0.09), 25.4°(0.15), 28.5°(0.12), 33.0°(0.24), 35.4°(1.0), 40.7°(0.17), 41.9°(0.17), 49.7°(0.06), 54.0°(0.1), 55.7°(0.09), 58.4°(0.18), 59.9°(0.15), 70.6°(0.09), 72.4°(0.14), 76.5°(0.08), 83.6°(0.06), 89.3°(0.05).
Generate atomic ... | JVASP-151437 | 7.00 7.00 4.31
90 90 90
Dy 0.176 0.676 0.500
Dy 0.824 0.324 0.500
Dy 0.324 0.176 0.500
Dy 0.676 0.824 0.500
Al 0.000 0.000 0.000
Al 0.500 0.500 0.000
Ge 0.629 0.129 0.000
Ge 0.371 0.871 0.000
Ge 0.871 0.629 0.000
Ge 0.129 0.371 0.000 |
Below is a description of a material. | The chemical formula is: LaTeAs.
The XRD pattern shows main peaks at: 25.4°(0.25), 28.1°(0.51), 29.5°(0.36), 31.0°(0.72), 32.2°(0.49), 34.5°(0.12), 35.4°(1.0), 36.4°(0.07), 38.3°(0.54), 41.3°(0.06), 42.9°(0.3), 46.8°(0.07), 49.5°(0.06), 52.0°(0.19), 54.4°(0.24), 58.8°(0.3), 65.5°(0.18), 69.3°(0.14), 73.7°(0.11), 81.2°(... | JVASP-152230 | 4.22 7.91 10.39
90 90 90
La 0.250 0.224 0.656
La 0.750 0.276 0.156
La 0.750 0.776 0.344
La 0.250 0.724 0.844
Te 0.250 0.092 0.349
Te 0.750 0.408 0.849
Te 0.750 0.908 0.651
Te 0.250 0.592 0.151
As 0.250 0.090 0.961
As 0.750 0.410 0.461
As 0.750 0.910 0.039
As 0.250 0.590 0.539 |
Below is a description of a material. | The chemical formula is: RbZnSb.
The XRD pattern shows main peaks at: 16.0°(0.21), 23.7°(0.08), 27.6°(1.0), 32.3°(0.27), 39.2°(0.44), 42.5°(0.1), 48.6°(0.2), 51.6°(0.4), 64.1°(0.18), 71.0°(0.07), 80.1°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-156276 | 11.09 4.60 4.60
59 90 90
Rb 0.250 0.000 0.000
Rb 0.750 0.000 0.000
Zn 0.500 0.333 0.333
Zn 0.000 0.667 0.667
Sb 0.000 0.333 0.333
Sb 0.500 0.667 0.667 |
Below is a description of a material. | The chemical formula is: NdCu2.
The XRD pattern shows main peaks at: 24.0°(0.15), 34.2°(1.0), 42.3°(0.44), 49.2°(0.11), 55.5°(0.24), 66.8°(0.24), 72.1°(0.21), 77.3°(0.07), 82.3°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-149064 | 5.66 5.66 5.66
135 98 98
Nd 0.750 0.500 0.250
Nd 0.250 0.500 0.750
Cu 0.833 0.833 0.000
Cu 0.333 0.833 0.500
Cu 0.667 0.167 0.500
Cu 0.167 0.167 -0.000 |
Below is a description of a material. | The chemical formula is: Ti3GeC2.
The XRD pattern shows main peaks at: 33.4°(0.11), 33.8°(0.14), 39.2°(1.0), 42.1°(0.19), 59.7°(0.24), 73.7°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-152030 | 3.10 3.10 17.84
90 90 119
Ti 0.667 0.333 0.133
Ti 0.333 0.667 0.633
Ti 0.333 0.667 0.867
Ti 0.667 0.333 0.367
Ti 0.000 0.000 0.000
Ti 0.000 0.000 0.500
Ge 0.000 0.000 0.250
Ge 1.000 1.000 0.750
C 0.667 0.333 0.572
C 0.333 0.667 0.072
C 0.333 0.667 0.428
C 0.667 0.333 0.928 |
Below is a description of a material. | The chemical formula is: Th2ZnHg.
The XRD pattern shows main peaks at: 20.4°(0.08), 23.6°(0.07), 33.6°(1.0), 48.3°(0.2), 60.1°(0.36), 70.7°(0.13), 80.6°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-156860 | 5.33 5.33 5.33
60 60 60
Th 0.000 0.000 0.000
Th 0.500 0.500 0.500
Zn 0.750 0.750 0.750
Hg 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: Cu3AsSe4.
The XRD pattern shows main peaks at: 27.5°(1.0), 45.7°(0.49), 54.0°(0.26), 66.4°(0.08), 73.6°(0.11), 84.4°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-149688 | 6.86 6.86 6.86
131 131 70
Cu 0.500 0.500 0.000
Cu 0.250 0.750 0.500
Cu 0.750 0.250 0.500
As 0.000 0.000 0.000
Se 0.872 0.388 0.000
Se 0.388 0.872 0.000
Se 0.612 0.612 0.484
Se 0.128 0.128 0.516 |
Below is a description of a material. | The chemical formula is: Pr2ZnSn.
The XRD pattern shows main peaks at: 33.3°(1.0), 47.7°(0.19), 59.4°(0.42), 69.8°(0.13), 79.6°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-157244 | 5.39 5.39 5.39
60 60 60
Pr 0.500 0.500 0.500
Pr 0.000 0.000 0.000
Zn 0.750 0.750 0.750
Sn 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: Mg2Au.
The XRD pattern shows main peaks at: 23.0°(0.65), 25.4°(1.0), 27.0°(0.89), 28.1°(0.42), 36.7°(0.63), 38.1°(0.39), 40.8°(0.43), 41.5°(0.28), 42.9°(0.17), 48.1°(0.47), 49.3°(0.42), 50.9°(0.17), 52.1°(0.19), 58.6°(0.09), 60.7°(0.12), 61.2°(0.11), 65.4°(0.2), 68.7°(0.17), 72.6°(0.09), 75.3°(... | JVASP-151844 | 4.35 6.34 8.44
90 90 90
Mg 0.250 0.839 0.940
Mg 0.750 0.661 0.440
Mg 0.750 0.161 0.060
Mg 0.250 0.339 0.560
Mg 0.250 0.460 0.188
Mg 0.750 0.040 0.688
Mg 0.750 0.540 0.812
Mg 0.250 0.960 0.312
Au 0.250 0.264 0.878
Au 0.750 0.236 0.378
Au 0.750 0.736 0.122
Au 0.250 0.764 0.622 |
Below is a description of a material. | The chemical formula is: UCo2Sn2.
The XRD pattern shows main peaks at: 22.2°(0.09), 27.5°(0.07), 28.8°(0.17), 30.3°(0.09), 34.3°(1.0), 41.2°(0.45), 47.5°(0.06), 50.2°(0.06), 51.4°(0.12), 54.7°(0.24), 59.7°(0.14), 67.8°(0.1), 70.7°(0.22), 85.2°(0.07), 89.4°(0.05).
Generate atomic structure description with lattice lengt... | JVASP-150802 | 4.38 4.38 9.73
90 90 90
U 0.250 0.250 0.727
U 0.750 0.750 0.273
Co 0.750 0.250 0.500
Co 0.250 0.750 0.500
Co 0.250 0.250 0.127
Co 0.750 0.750 0.873
Sn 0.750 0.250 0.000
Sn 0.250 0.750 0.000
Sn 0.250 0.250 0.372
Sn 0.750 0.750 0.628 |
Below is a description of a material. | The chemical formula is: CuSnAu.
The XRD pattern shows main peaks at: 22.4°(0.17), 27.5°(0.27), 30.3°(0.52), 33.4°(0.24), 41.0°(0.14), 41.4°(1.0), 43.4°(0.48), 52.2°(0.19), 56.7°(0.05), 61.2°(0.09), 61.8°(0.11), 63.1°(0.17), 68.9°(0.07), 70.2°(0.08), 71.6°(0.1), 74.1°(0.1), 78.3°(0.3).
Generate atomic structure descrip... | JVASP-149337 | 7.13 7.13 7.13
146 146 48
Cu 0.000 0.500 0.500
Cu 0.500 0.000 0.500
Sn 0.655 0.655 0.000
Sn 0.345 0.345 0.000
Au 0.870 0.870 0.000
Au 0.130 0.130 0.000 |
Below is a description of a material. | The chemical formula is: ErSi2Pt2.
The XRD pattern shows main peaks at: 27.1°(0.25), 27.9°(0.29), 30.2°(0.13), 31.5°(0.74), 34.7°(0.75), 35.3°(1.0), 43.2°(0.7), 48.0°(0.22), 51.2°(0.26), 51.7°(0.18), 52.2°(0.12), 56.5°(0.37), 62.7°(0.25), 64.9°(0.08), 69.2°(0.2), 69.6°(0.08), 71.9°(0.14), 74.1°(0.24), 82.7°(0.09), 89.4... | JVASP-151677 | 4.19 4.19 9.86
90 90 90
Er 0.250 0.250 0.748
Er 0.750 0.750 0.252
Si 0.750 0.250 0.500
Si 0.250 0.750 0.500
Si 0.250 0.250 0.134
Si 0.750 0.750 0.866
Pt 0.750 0.250 0.000
Pt 0.250 0.750 0.000
Pt 0.250 0.250 0.375
Pt 0.750 0.750 0.625 |
Below is a description of a material. | The chemical formula is: Ti4Al11Zn.
The XRD pattern shows main peaks at: 5.3°(0.16), 21.5°(0.06), 39.2°(1.0), 46.6°(0.33), 68.0°(0.1), 81.4°(0.24).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-145342 | 3.90 3.90 16.57
90 90 90
Ti 0.500 0.500 0.382
Ti 0.000 0.000 0.883
Ti 0.000 0.000 0.119
Ti 0.500 0.500 0.619
Al 0.500 0.000 0.002
Al 0.000 0.500 0.500
Al 0.500 0.000 0.500
Al 0.000 0.500 0.002
Al 0.000 0.500 0.247
Al 0.500 0.000 0.751
Al 0.500 0.000 0.247
Al 0.000 0.500 0.751
Al 0.000 0.000 0.625
Al 0.000 0.000 0.372
A... |
Below is a description of a material. | The chemical formula is: AgSbTe2.
The XRD pattern shows main peaks at: 29.2°(1.0), 41.7°(0.79), 51.7°(0.28), 60.5°(0.12), 68.5°(0.17), 76.1°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-154137 | 8.66 8.66 8.66
60 60 60
Ag 0.000 0.000 0.000
Ag 0.500 0.500 0.000
Ag 0.500 0.000 0.500
Ag 0.500 0.000 0.000
Sb 0.500 0.500 0.500
Sb 0.000 0.000 0.500
Sb 0.000 0.500 0.000
Sb 0.000 0.500 0.500
Te 0.255 0.755 0.236
Te 0.745 0.245 0.764
Te 0.745 0.245 0.245
Te 0.255 0.755 0.755
Te 0.745 0.764 0.245
Te 0.255 0.236 0.755
Te... |
Below is a description of a material. | The chemical formula is: Yb2SnAu.
The XRD pattern shows main peaks at: 34.7°(1.0), 49.8°(0.17), 62.1°(0.35), 73.2°(0.11), 83.6°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-157073 | 5.17 5.17 5.17
60 60 60
Yb 0.000 0.000 0.000
Yb 0.500 0.500 0.500
Sn 0.750 0.750 0.750
Au 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: HoGa2Pd.
The XRD pattern shows main peaks at: 21.9°(0.12), 27.1°(0.19), 35.1°(0.95), 35.6°(0.19), 36.2°(1.0), 38.2°(0.35), 40.8°(0.47), 43.6°(0.33), 45.1°(0.17), 54.1°(0.09), 55.5°(0.11), 55.9°(0.1), 57.1°(0.22), 62.4°(0.13), 68.4°(0.11), 70.1°(0.1), 70.6°(0.21), 71.2°(0.21), 81.6°(0.14), 84.8°... | JVASP-149900 | 5.51 5.51 6.58
90 90 132
Ho 0.590 0.410 0.750
Ho 0.410 0.590 0.250
Ga 0.874 0.126 0.948
Ga 0.126 0.874 0.448
Ga 0.874 0.126 0.552
Ga 0.126 0.874 0.052
Pd 0.301 0.699 0.750
Pd 0.699 0.301 0.250 |
Below is a description of a material. | The chemical formula is: InTe3Mo3.
The XRD pattern shows main peaks at: 10.7°(1.0), 26.9°(0.63), 28.5°(0.48), 29.0°(0.37), 32.4°(0.31), 34.6°(0.95), 38.0°(0.05), 39.1°(0.74), 42.6°(0.65), 44.0°(0.42), 49.1°(0.21), 51.7°(0.16), 52.0°(0.4), 56.6°(0.18), 62.4°(0.06), 73.2°(0.12), 76.1°(0.07), 84.4°(0.06).
Generate atomic ... | JVASP-152831 | 9.57 9.57 4.61
90 90 120
In 0.333 0.667 0.250
In 0.667 0.333 0.750
Te 0.938 0.309 0.250
Te 0.691 0.629 0.250
Te 0.371 0.062 0.250
Te 0.062 0.691 0.750
Te 0.309 0.371 0.750
Te 0.629 0.938 0.750
Mo 0.144 0.172 0.250
Mo 0.828 0.972 0.250
Mo 0.028 0.856 0.250
Mo 0.856 0.828 0.750
Mo 0.172 0.028 0.750
Mo 0.972 0.144 0.750 |
Below is a description of a material. | The chemical formula is: VO2.
The XRD pattern shows main peaks at: 12.4°(1.0), 17.6°(0.81), 28.1°(0.56), 35.7°(0.22), 37.3°(0.51), 41.6°(0.21), 46.0°(0.09), 49.1°(0.25), 54.8°(0.11), 55.9°(0.14), 58.0°(0.06), 59.1°(0.19), 65.4°(0.08), 68.1°(0.2).
Generate atomic structure description with lattice lengths, angles, coord... | JVASP-147384 | 2.85 7.25 7.25
87 78 78
V 0.179 0.458 0.184
V 0.821 0.542 0.816
V 0.637 0.184 0.541
V 0.363 0.816 0.459
O 0.839 0.706 0.617
O 0.455 0.383 0.706
O 0.545 0.617 0.294
O 0.161 0.294 0.383
O 0.157 0.044 0.643
O 0.800 0.357 0.044
O 0.843 0.956 0.357
O 0.200 0.643 0.956 |
Below is a description of a material. | The chemical formula is: DyGe2Ir.
The XRD pattern shows main peaks at: 11.0°(0.1), 19.9°(0.17), 26.6°(0.14), 33.5°(1.0), 34.8°(0.49), 36.9°(0.07), 38.6°(0.15), 39.1°(0.28), 40.5°(0.21), 41.3°(0.06), 42.3°(0.35), 44.6°(0.07), 49.2°(0.19), 54.5°(0.09), 55.6°(0.09), 59.0°(0.16), 60.0°(0.13), 69.2°(0.17), 71.8°(0.11), 72.6... | JVASP-153845 | 9.47 9.47 9.47
153 123 62
Dy 0.262 0.000 0.262
Dy 0.738 -0.000 0.738
Dy 0.295 0.795 0.500
Dy 0.705 0.205 0.500
Ge 0.923 0.423 0.500
Ge 0.077 0.577 0.500
Ge 0.423 0.423 0.000
Ge 0.577 0.577 0.000
Ge 0.049 0.201 0.848
Ge 0.647 0.799 0.848
Ge 0.353 0.201 0.152
Ge 0.951 0.799 0.152
Ir 0.104 0.355 0.749
Ir 0.394 0.645 0.749... |
Below is a description of a material. | The chemical formula is: CaCuO2.
The XRD pattern shows main peaks at: 18.2°(0.17), 28.3°(0.26), 32.3°(0.26), 33.0°(0.28), 33.9°(1.0), 41.1°(0.62), 44.1°(0.06), 46.8°(0.62), 53.2°(0.23), 55.6°(0.12), 58.6°(0.16), 59.5°(0.19), 64.5°(0.14), 68.5°(0.06), 69.3°(0.09), 74.0°(0.07), 78.2°(0.21).
Generate atomic structure desc... | JVASP-145562 | 3.15 5.43 11.10
90 90 90
Ca 0.500 1.000 0.863
Ca 0.500 0.500 0.637
Ca 0.500 0.000 0.137
Ca 0.500 0.500 0.363
Cu 0.000 0.500 0.879
Cu -0.000 0.000 0.379
Cu -0.000 1.000 0.621
Cu 0.000 0.500 0.121
O -0.000 0.750 0.250
O 0.000 0.761 1.000
O 0.000 0.250 0.250
O -0.000 0.250 0.750
O 0.000 0.750 0.750
O -0.000 0.739 0.500
O ... |
Below is a description of a material. | The chemical formula is: MnFeAs.
The XRD pattern shows main peaks at: 26.0°(0.06), 28.4°(0.15), 30.8°(0.11), 38.9°(0.96), 42.4°(1.0), 44.1°(0.41), 50.4°(0.5), 51.9°(0.51), 53.5°(0.29), 76.5°(0.29), 82.3°(0.33).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-150324 | 6.28 6.28 3.43
90 90 119
Mn 0.000 0.404 0.500
Mn 0.596 0.596 0.500
Mn 0.404 -0.000 0.500
Fe -0.000 0.744 0.000
Fe 0.256 0.256 0.000
Fe 0.744 -0.000 0.000
As 0.667 0.333 0.000
As 0.333 0.667 0.000
As -0.000 0.000 0.500 |
Below is a description of a material. | The chemical formula is: Ce4As3.
The XRD pattern shows main peaks at: 24.4°(0.12), 28.2°(0.1), 31.6°(1.0), 37.6°(0.68), 45.4°(0.06), 47.7°(0.07), 50.0°(0.21), 52.2°(0.28), 64.2°(0.25), 66.1°(0.13), 67.9°(0.15), 78.6°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-153039 | 7.74 7.74 7.74
109 109 109
Ce 0.000 0.000 0.858
Ce 0.500 0.358 0.000
Ce 0.642 0.142 0.642
Ce 0.858 0.500 0.500
Ce 0.000 0.000 0.358
Ce 0.500 0.858 0.000
Ce 0.358 0.500 0.500
Ce 0.142 0.642 0.142
As 0.625 0.750 0.375
As 0.875 0.250 0.125
As 0.125 0.375 0.750
As 0.375 0.125 0.250
As 0.250 0.875 0.625
As 0.750 0.625 0.875 |
Below is a description of a material. | The chemical formula is: Sr2Cu3Cl2O4.
The XRD pattern shows main peaks at: 14.0°(0.63), 17.6°(0.09), 26.7°(1.0), 28.3°(0.14), 32.7°(0.88), 36.7°(0.77), 39.3°(0.09), 42.7°(0.57), 46.9°(0.53), 49.2°(0.1), 52.0°(0.09), 54.8°(0.14), 55.7°(0.06), 58.4°(0.1), 61.0°(0.33), 65.4°(0.18), 68.6°(0.27), 75.0°(0.09), 78.0°(0.17), 8... | JVASP-151024 | 7.41 7.41 7.41
136 136 63
Sr 0.641 0.641 0.000
Sr 0.359 0.359 0.000
Cu 0.000 0.500 0.500
Cu 0.500 0.000 0.500
Cu 0.000 0.000 0.000
Cl 0.750 0.250 0.500
Cl 0.250 0.750 0.500
O 0.749 0.749 0.497
O 0.251 0.251 0.503
O 0.251 0.749 0.000
O 0.749 0.251 0.000 |
Below is a description of a material. | The chemical formula is: PrMn4Al8.
The XRD pattern shows main peaks at: 14.1°(0.45), 20.5°(0.43), 28.5°(0.49), 28.8°(0.62), 31.9°(0.3), 35.4°(0.52), 41.0°(0.94), 41.7°(1.0), 43.3°(0.12), 45.8°(0.11), 46.7°(0.23), 49.1°(0.18), 55.0°(0.15), 57.7°(0.1), 59.0°(0.17), 59.7°(0.36), 66.8°(0.18), 68.4°(0.2), 74.3°(0.22), 74.8°... | JVASP-153552 | 6.74 6.74 6.74
97 97 136
Pr 0.000 0.000 0.000
Mn 0.000 0.000 0.500
Mn 0.500 0.500 0.500
Mn 0.500 0.000 0.000
Mn 0.000 0.500 0.000
Al 0.344 0.000 0.344
Al 0.656 0.000 0.656
Al 0.000 0.344 0.344
Al 0.000 0.656 0.656
Al 0.277 0.500 0.777
Al 0.723 0.500 0.223
Al 0.500 0.277 0.777
Al 0.500 0.723 0.223 |
Below is a description of a material. | The chemical formula is: TbRb2I6.
The XRD pattern shows main peaks at: 13.2°(0.12), 15.2°(0.26), 25.4°(0.13), 26.5°(0.98), 30.7°(1.0), 44.0°(0.72), 52.1°(0.43), 54.6°(0.25), 64.0°(0.11), 70.5°(0.08), 72.6°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-155342 | 8.23 8.23 8.23
59 59 59
Tb 0.000 0.000 0.000
Rb 0.250 0.250 0.250
Rb 0.750 0.750 0.750
I 0.742 0.258 0.258
I 0.258 0.742 0.258
I 0.742 0.742 0.258
I 0.742 0.258 0.742
I 0.258 0.742 0.742
I 0.258 0.258 0.742 |
Below is a description of a material. | The chemical formula is: Ga5Ni.
The XRD pattern shows main peaks at: 18.2°(0.05), 32.7°(0.58), 40.0°(0.12), 42.2°(1.0), 45.0°(0.55), 47.0°(0.24), 65.5°(0.09), 67.0°(0.05), 70.6°(0.18), 74.2°(0.17), 76.1°(0.15), 82.0°(0.06), 87.8°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-152631 | 6.64 6.64 6.64
122 122 85
Ga 0.000 0.000 0.000
Ga 0.500 0.500 0.000
Ga 0.707 0.207 0.199
Ga 0.008 0.508 0.801
Ga 0.508 0.707 0.500
Ga 0.207 0.008 0.500
Ga 0.793 0.992 0.500
Ga 0.492 0.293 0.500
Ga 0.992 0.492 0.199
Ga 0.293 0.793 0.801
Ni 0.750 0.750 0.000
Ni 0.250 0.250 0.000 |
Below is a description of a material. | The chemical formula is: Er4Ga12Ni.
The XRD pattern shows main peaks at: 20.8°(0.11), 29.6°(0.26), 36.5°(1.0), 42.4°(0.58), 61.5°(0.34), 73.7°(0.32).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-145128 | 7.38 7.38 7.38
109 109 109
Er 0.000 0.000 0.500
Er 0.000 0.500 -0.000
Er 0.500 0.000 0.000
Er 0.500 0.500 0.500
Ga 0.713 -0.000 0.713
Ga 0.287 0.287 0.000
Ga 0.000 0.287 0.287
Ga 0.287 0.000 0.287
Ga 0.713 0.713 -0.000
Ga 0.250 0.750 0.500
Ga -0.000 0.713 0.713
Ga 0.250 0.500 0.750
Ga 0.500 0.250 0.750
Ga 0.750 0.500 0... |
Below is a description of a material. | The chemical formula is: TeH2NF5.
The XRD pattern shows main peaks at: 18.7°(0.72), 20.2°(0.58), 21.2°(1.0), 23.3°(0.74), 27.6°(0.45), 32.9°(0.28), 35.3°(0.1), 35.9°(0.2), 36.9°(0.15), 41.0°(0.17), 42.6°(0.22), 43.3°(0.18), 44.2°(0.4), 45.4°(0.12), 47.5°(0.13), 53.4°(0.08), 57.0°(0.11), 57.5°(0.08), 63.0°(0.15), 65.6°(... | JVASP-146985 | 8.81 5.11 5.13
68 90 90
Te 0.149 0.481 0.260
Te 0.649 0.519 0.740
H 0.305 0.047 0.477
H 0.805 0.953 0.523
H 0.275 0.199 0.709
H 0.775 0.801 0.291
N 0.306 0.236 0.504
N 0.806 0.764 0.496
F 0.646 0.727 0.980
F 0.146 0.273 0.020
F 0.504 0.274 0.980
F 0.004 0.726 0.020
F 0.294 0.726 0.020
F 0.147 0.714 0.473
F 0.794 0.274 ... |
Below is a description of a material. | The chemical formula is: NaTlS2.
The XRD pattern shows main peaks at: 17.0°(1.0), 24.1°(0.41), 26.2°(0.13), 31.4°(0.38), 34.3°(0.37), 35.9°(0.73), 38.5°(0.19), 43.7°(0.21), 47.2°(0.36), 49.3°(0.1), 52.5°(0.09), 53.9°(0.06), 55.6°(0.14), 56.7°(0.13).
Generate atomic structure description with lattice lengths, angles, co... | JVASP-155487 | 6.24 6.24 6.23
107 107 113
Na 0.250 0.250 -0.000
Na 0.750 0.750 0.000
Tl 0.750 0.250 0.500
Tl 0.250 0.750 0.500
S 0.312 0.812 0.124
S 0.812 0.688 0.500
S 0.188 0.312 0.500
S 0.688 0.188 0.876 |
Below is a description of a material. | The chemical formula is: Hf2Be17.
The XRD pattern shows main peaks at: 16.0°(0.63), 21.4°(0.26), 23.9°(1.0), 24.6°(0.3), 28.9°(0.19), 32.3°(0.11), 34.5°(0.84), 35.9°(0.13), 37.8°(0.18), 40.6°(0.11), 42.0°(0.29), 48.9°(0.22), 49.3°(0.41), 50.3°(0.18), 55.5°(0.15), 56.5°(0.17), 66.4°(0.13), 67.6°(0.08), 72.0°(0.22), 72.8... | JVASP-154801 | 5.62 5.62 5.62
82 82 82
Hf 0.162 0.162 0.162
Hf 0.838 0.838 0.838
Be 0.157 0.157 0.660
Be 0.157 0.660 0.157
Be 0.660 0.157 0.157
Be 0.843 0.340 0.843
Be 0.843 0.843 0.340
Be 0.340 0.843 0.843
Be 0.212 0.500 0.788
Be 0.597 0.597 0.597
Be 0.788 0.500 0.212
Be 0.212 0.788 0.500
Be 0.500 0.212 0.788
Be 0.000 0.500 0.500
Be... |
Below is a description of a material. | The chemical formula is: MnNbGe.
The XRD pattern shows main peaks at: 27.6°(0.08), 31.9°(0.1), 37.3°(0.84), 40.8°(1.0), 42.7°(0.4), 48.8°(0.24), 49.9°(0.22), 50.6°(0.27), 59.5°(0.11), 65.4°(0.17), 68.3°(0.18), 72.9°(0.16), 79.1°(0.23), 81.8°(0.09), 86.3°(0.07), 88.5°(0.1).
Generate atomic structure description with lat... | JVASP-150111 | 6.47 6.47 3.61
90 90 120
Mn 0.000 0.757 0.000
Mn 0.243 0.243 0.000
Mn 0.757 0.000 0.000
Nb 0.000 0.414 0.500
Nb 0.586 0.586 0.500
Nb 0.414 0.000 0.500
Ge 0.667 0.333 0.000
Ge 0.333 0.667 0.000
Ge -0.000 -0.000 0.500 |
Below is a description of a material. | The chemical formula is: K4Ba2SnBi4.
The XRD pattern shows main peaks at: 8.9°(0.95), 13.7°(0.11), 20.7°(0.73), 27.8°(0.66), 29.0°(0.21), 31.3°(1.0), 36.7°(0.12), 37.1°(0.26), 43.3°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-147600 | 11.43 11.43 8.36
89 89 60
K 0.958 0.521 0.373
K 0.521 0.958 0.373
K 0.708 0.140 0.185
K 0.140 0.708 0.185
K 0.150 0.150 0.202
K 0.287 0.859 0.672
K 0.859 0.287 0.672
K 0.852 0.852 0.643
Ba 0.484 0.484 0.871
Ba 0.486 0.034 0.873
Ba 0.521 0.521 0.371
Ba 0.034 0.486 0.873
Sn 0.333 0.333 0.495
Sn 0.665 0.665 0.002
Bi 0.337... |
Below is a description of a material. | The chemical formula is: Tb3NiGe2.
The XRD pattern shows main peaks at: 24.0°(0.23), 27.6°(0.54), 28.3°(0.55), 30.9°(0.69), 32.0°(1.0), 32.8°(0.88), 35.3°(0.31), 35.7°(0.94), 39.0°(0.48), 40.3°(0.17), 41.8°(0.33), 43.3°(0.83), 46.9°(0.23), 51.7°(0.3), 52.5°(0.2), 55.3°(0.21), 57.0°(0.17), 62.8°(0.16), 65.7°(0.17), 72.3... | JVASP-133277 | 4.18 11.26 11.41
90 90 90
Tb 0.250 0.058 0.880
Tb 0.750 0.197 0.280
Tb 0.250 0.697 0.220
Tb 0.250 0.803 0.720
Tb 0.750 0.628 0.944
Tb 0.750 0.872 0.444
Tb 0.750 0.303 0.780
Tb 0.250 0.128 0.556
Tb 0.750 0.558 0.620
Tb 0.750 0.942 0.120
Tb 0.250 0.442 0.380
Tb 0.250 0.372 0.056
Ni 0.750 0.632 0.371
Ni 0.750 0.868 0.871
... |
Below is a description of a material. | The chemical formula is: Rb2Te.
The XRD pattern shows main peaks at: 22.7°(0.12), 28.4°(0.92), 29.4°(1.0), 37.5°(0.19), 41.4°(0.35), 46.4°(0.1), 51.6°(0.37), 52.2°(0.21), 55.9°(0.34), 61.1°(0.13), 68.7°(0.15), 72.4°(0.16), 80.0°(0.11), 84.0°(0.09), 84.5°(0.11).
Generate atomic structure description with lattice lengths... | JVASP-149069 | 6.07 6.07 7.83
90 90 120
Rb 0.000 0.000 0.000
Rb 0.000 0.000 0.500
Rb 0.667 0.333 0.750
Rb 0.333 0.667 0.250
Te 0.667 0.333 0.250
Te 0.333 0.667 0.750 |
Below is a description of a material. | The chemical formula is: ZrGeRh.
The XRD pattern shows main peaks at: 17.7°(0.14), 35.2°(0.96), 35.9°(0.24), 37.1°(1.0), 37.9°(0.22), 42.1°(0.71), 42.6°(0.36), 44.3°(0.17), 45.2°(0.51), 47.5°(0.18), 48.5°(0.13), 59.0°(0.11), 60.4°(0.11), 63.8°(0.18), 65.6°(0.12), 67.7°(0.16), 69.2°(0.24), 76.7°(0.18), 78.0°(0.11), 81.3... | JVASP-145883 | 4.01 6.63 7.62
90 90 90
Zr 0.250 0.023 0.808
Zr 0.250 0.523 0.692
Zr 0.750 0.977 0.192
Zr 0.750 0.477 0.308
Ge 0.250 0.764 0.385
Ge 0.250 0.264 0.115
Ge 0.750 0.236 0.615
Ge 0.750 0.736 0.885
Rh 0.250 0.146 0.433
Rh 0.250 0.646 0.067
Rh 0.750 0.854 0.567
Rh 0.750 0.354 0.933 |
Below is a description of a material. | The chemical formula is: Ba3Co2N4.
The XRD pattern shows main peaks at: 14.4°(0.08), 23.7°(0.27), 24.9°(0.27), 27.7°(0.62), 29.6°(1.0), 34.2°(0.39), 36.1°(0.21), 36.9°(0.27), 37.8°(0.16), 38.3°(0.31), 39.0°(0.32), 39.7°(0.09), 42.2°(0.09), 42.6°(0.09), 44.0°(0.27), 50.1°(0.08), 54.3°(0.12), 59.9°(0.21), 64.5°(0.08).
Ge... | JVASP-146073 | 7.75 9.39 5.52
90 93 127
Ba 0.291 0.019 0.082
Ba 0.709 0.728 0.418
Ba 0.709 0.981 0.918
Ba 0.291 0.272 0.582
Ba -0.000 0.622 0.750
Ba 0.000 0.378 0.250
Co 0.601 0.414 0.084
Co 0.399 0.813 0.416
Co 0.601 0.187 0.584
Co 0.399 0.586 0.916
N 0.345 0.714 0.113
N 0.322 0.954 0.574
N 0.678 0.632 0.926
N 0.678 0.046 0.426
N 0.... |
Below is a description of a material. | The chemical formula is: CaTc2Ge2.
The XRD pattern shows main peaks at: 16.1°(0.54), 23.2°(0.21), 32.7°(0.31), 35.0°(1.0), 44.3°(0.62), 45.4°(0.67), 46.8°(0.19), 47.4°(0.14), 49.6°(0.06), 50.6°(0.05), 56.1°(0.13), 59.6°(0.13), 64.4°(0.19), 66.4°(0.13), 68.0°(0.07), 68.6°(0.08), 75.5°(0.2), 82.3°(0.23), 84.8°(0.17).
Gen... | JVASP-155683 | 4.09 4.09 6.23
109 109 90
Ca 0.000 0.000 0.000
Tc 0.750 0.250 0.500
Tc 0.250 0.750 0.500
Ge 0.618 0.618 0.235
Ge 0.382 0.382 0.765 |
Below is a description of a material. | The chemical formula is: MnGaCu.
The XRD pattern shows main peaks at: 33.6°(0.13), 42.2°(0.88), 43.6°(1.0), 56.1°(0.18), 62.3°(0.24), 70.6°(0.07), 79.1°(0.23), 80.0°(0.14), 86.8°(0.23).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-156278 | 4.15 4.15 5.34
90 90 120
Mn 0.000 0.000 0.000
Mn 0.000 0.000 0.500
Ga 0.333 0.667 0.250
Ga 0.667 0.333 0.750
Cu 0.667 0.333 0.250
Cu 0.333 0.667 0.750 |
Below is a description of a material. | The chemical formula is: Th2ZnCd.
The XRD pattern shows main peaks at: 23.6°(0.2), 33.6°(1.0), 41.5°(0.06), 48.3°(0.18), 54.4°(0.09), 60.1°(0.38), 70.7°(0.11), 80.6°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-156861 | 5.33 5.33 5.33
60 60 60
Th 0.000 0.000 0.000
Th 0.500 0.500 0.500
Zn 0.750 0.750 0.750
Cd 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: TmMnSi.
The XRD pattern shows main peaks at: 24.1°(0.12), 25.0°(0.57), 26.1°(0.29), 35.4°(0.74), 35.8°(0.3), 36.4°(1.0), 38.9°(0.37), 41.4°(0.17), 42.9°(0.18), 44.6°(0.28), 52.3°(0.13), 54.9°(0.1), 56.4°(0.15), 58.4°(0.14), 60.0°(0.21), 60.6°(0.21), 62.5°(0.1), 69.5°(0.23), 76.7°(0.11), 81.8°(0... | JVASP-147189 | 4.07 6.84 7.39
90 90 90
Tm 0.250 0.505 0.188
Tm 0.750 0.495 0.812
Tm 0.750 0.995 0.688
Tm 0.250 0.005 0.312
Mn 0.250 0.644 0.561
Mn 0.750 0.356 0.439
Mn 0.750 0.856 0.061
Mn 0.250 0.144 0.939
Si 0.250 0.791 0.891
Si 0.750 0.209 0.109
Si 0.750 0.709 0.391
Si 0.250 0.291 0.609 |
Below is a description of a material. | The chemical formula is: CaPr2In.
The XRD pattern shows main peaks at: 19.3°(0.06), 22.4°(0.1), 31.8°(1.0), 45.7°(0.18), 56.7°(0.39), 66.5°(0.11), 75.7°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-157245 | 5.62 5.62 5.62
60 60 60
Ca 0.250 0.250 0.250
Pr 0.500 0.500 0.500
Pr 0.000 0.000 0.000
In 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: Er3Tl5.
The XRD pattern shows main peaks at: 29.4°(0.06), 33.3°(1.0), 34.4°(0.29), 35.7°(0.26), 39.0°(0.11), 45.1°(0.05), 49.6°(0.07), 50.4°(0.14), 57.3°(0.08), 58.0°(0.06), 62.7°(0.07), 67.0°(0.12), 68.6°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates an... | JVASP-154617 | 6.43 6.43 10.44
90 90 102
Er 0.596 0.596 0.750
Er 0.404 0.404 0.250
Er 0.790 0.210 0.000
Er 0.210 0.790 0.500
Er 0.210 0.790 0.000
Er 0.790 0.210 0.500
Tl -0.005 -0.005 0.750
Tl 0.005 0.005 0.250
Tl 0.296 0.296 0.533
Tl 0.704 0.704 0.033
Tl 0.296 0.296 0.967
Tl 0.704 0.704 0.467
Tl 0.057 0.508 0.750
Tl 0.943 0.492 0.25... |
Below is a description of a material. | The chemical formula is: Ne.
The XRD pattern shows main peaks at: 37.5°(1.0), 43.6°(0.46), 63.3°(0.21), 76.0°(0.23), 80.0°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-148756 | 2.94 2.94 2.94
60 60 60
Ne 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: CaInPt.
The XRD pattern shows main peaks at: 16.1°(0.26), 22.8°(0.74), 24.5°(0.63), 25.9°(0.17), 31.8°(0.41), 33.7°(1.0), 37.8°(0.76), 38.6°(0.27), 39.8°(0.53), 41.0°(0.56), 42.6°(0.18), 43.0°(0.41), 44.0°(0.35), 45.5°(0.33), 48.3°(0.3), 49.7°(0.17), 57.6°(0.15), 60.9°(0.3), 66.4°(0.14), 68.9°(... | JVASP-152231 | 4.40 7.27 8.49
90 90 90
Ca 0.250 0.031 0.322
Ca 0.750 0.469 0.822
Ca 0.750 0.969 0.678
Ca 0.250 0.531 0.178
In 0.250 0.150 0.935
In 0.750 0.350 0.435
In 0.750 0.850 0.065
In 0.250 0.650 0.565
Pt 0.250 0.264 0.623
Pt 0.750 0.236 0.123
Pt 0.750 0.736 0.377
Pt 0.250 0.764 0.877 |
Below is a description of a material. | The chemical formula is: Ho2Pd2Pb.
The XRD pattern shows main peaks at: 29.5°(0.16), 32.3°(0.19), 33.7°(0.52), 35.7°(1.0), 36.2°(0.7), 41.5°(0.06), 44.3°(0.09), 47.8°(0.1), 50.6°(0.15), 52.1°(0.08), 54.5°(0.14), 55.9°(0.15), 61.3°(0.06), 63.7°(0.24), 66.0°(0.18), 67.5°(0.07), 69.6°(0.13), 75.6°(0.06), 85.2°(0.08), 89.0... | JVASP-150804 | 7.85 7.85 3.61
90 90 90
Ho 0.171 0.671 0.500
Ho 0.829 0.329 0.500
Ho 0.329 0.171 0.500
Ho 0.671 0.829 0.500
Pd 0.374 0.874 0.000
Pd 0.626 0.126 0.000
Pd 0.126 0.374 0.000
Pd 0.874 0.626 0.000
Pb 0.000 0.000 0.000
Pb 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: AlTlO2.
The XRD pattern shows main peaks at: 19.1°(0.51), 31.5°(1.0), 37.1°(0.5), 45.1°(0.15), 49.4°(0.12), 56.0°(0.45), 59.7°(0.13), 65.6°(0.15), 74.6°(0.19).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-149691 | 5.69 5.69 5.69
119 120 90
Al 0.375 0.125 0.750
Al 0.625 0.875 0.250
Tl 0.125 0.375 0.250
Tl 0.875 0.625 0.750
O 0.500 0.500 -0.000
O 0.500 0.000 0.500
O -0.000 0.000 0.500
O 0.500 0.000 0.000 |
Below is a description of a material. | The chemical formula is: LiMnNiO4.
The XRD pattern shows main peaks at: 18.9°(0.9), 19.1°(1.0), 36.7°(0.54), 37.2°(0.22), 38.3°(0.12), 38.8°(0.1), 44.6°(0.33), 45.0°(0.61), 59.2°(0.06), 64.7°(0.1), 65.2°(0.39), 66.2°(0.09), 82.0°(0.08), 83.4°(0.08).
Generate atomic structure description with lattice lengths, angles, co... | JVASP-146265 | 5.73 5.73 5.73
119 120 89
Li 0.128 0.878 0.250
Li 0.872 0.122 0.750
Mn -0.000 0.500 0.500
Mn 0.500 0.500 0.000
Ni 0.500 0.500 0.500
Ni 0.500 -0.000 0.000
O 0.263 0.291 0.528
O 0.256 0.734 0.522
O 0.711 0.734 0.978
O 0.263 0.735 0.972
O 0.737 0.265 0.028
O 0.744 0.266 0.478
O 0.289 0.266 0.022
O 0.737 0.709 0.472 |
Below is a description of a material. | The chemical formula is: Yb2SnPb.
The XRD pattern shows main peaks at: 33.2°(1.0), 47.6°(0.2), 59.2°(0.37), 69.6°(0.13), 79.3°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-157074 | 5.40 5.40 5.40
60 60 60
Yb 0.500 0.500 0.500
Yb 0.000 0.000 0.000
Sn 0.750 0.750 0.750
Pb 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: YMnO3.
The XRD pattern shows main peaks at: 25.9°(0.19), 31.7°(0.19), 33.2°(1.0), 34.0°(0.28), 39.6°(0.05), 41.8°(0.05), 42.9°(0.09), 47.2°(0.18), 48.2°(0.16), 48.8°(0.12), 53.0°(0.16), 57.4°(0.06), 58.8°(0.09), 60.3°(0.32), 64.2°(0.08), 69.7°(0.09).
Generate atomic structure description with l... | JVASP-154994 | 5.27 5.65 7.56
90 90 90
Y 0.481 0.574 0.750
Y 0.519 0.426 0.250
Y 0.019 0.074 0.750
Y 0.981 0.926 0.250
Mn 0.500 0.000 0.000
Mn 0.000 0.500 0.500
Mn 0.500 0.000 0.500
Mn 0.000 0.500 0.000
O 0.391 0.036 0.250
O 0.109 0.536 0.250
O 0.609 0.964 0.750
O 0.304 0.309 0.945
O 0.696 0.691 0.445
O 0.196 0.809 0.555
O 0.696 0.69... |
Below is a description of a material. | The chemical formula is: LaNi2Sn2.
The XRD pattern shows main peaks at: 28.1°(0.1), 29.4°(0.1), 33.2°(1.0), 40.1°(0.54), 45.7°(0.16), 49.2°(0.16), 53.0°(0.25), 58.0°(0.17), 65.3°(0.13), 68.5°(0.22), 76.8°(0.07), 82.4°(0.07), 86.6°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates an... | JVASP-151439 | 4.50 4.50 10.16
90 90 90
La 0.250 0.250 0.761
La 0.750 0.750 0.239
Ni 0.750 0.250 0.000
Ni 0.250 0.750 0.000
Ni 0.250 0.250 0.372
Ni 0.750 0.750 0.628
Sn 0.750 0.250 0.500
Sn 0.250 0.750 0.500
Sn 0.250 0.250 0.124
Sn 0.750 0.750 0.876 |
Below is a description of a material. | The chemical formula is: LiAuS.
The XRD pattern shows main peaks at: 16.0°(0.8), 27.6°(0.29), 31.8°(0.14), 32.2°(1.0), 39.7°(0.25), 42.5°(0.1), 43.3°(0.11), 51.8°(0.2), 52.1°(0.18), 52.5°(0.07), 56.9°(0.16), 57.8°(0.09), 67.4°(0.17), 68.0°(0.1).
Generate atomic structure description with lattice lengths, angles, coordi... | JVASP-151845 | 7.21 7.23 6.38
63 63 52
Li 0.224 0.724 0.526
Li 0.526 0.026 0.224
Li 0.776 0.276 0.474
Li 0.474 0.974 0.776
Au 0.000 0.000 0.000
Au 0.000 0.500 0.500
Au 0.000 0.500 0.000
Au 0.500 0.500 -0.000
S 0.834 0.916 0.834
S 0.416 0.334 0.416
S 0.166 0.084 0.166
S 0.584 0.666 0.584 |
Below is a description of a material. | The chemical formula is: Li3V3O5F3.
The XRD pattern shows main peaks at: 18.2°(1.0), 18.9°(0.13), 21.7°(0.06), 30.1°(0.07), 35.1°(0.21), 35.9°(0.18), 36.9°(0.11), 42.7°(0.3), 43.4°(0.28), 44.3°(0.27), 57.2°(0.06), 61.8°(0.08), 62.7°(0.08), 63.3°(0.08), 63.7°(0.08), 65.2°(0.07).
Generate atomic structure description wit... | JVASP-144892 | 5.88 6.01 8.19
88 87 90
Li 0.476 0.516 0.508
Li 0.976 0.016 0.008
Li 0.513 0.987 0.242
Li 0.013 0.487 0.742
Li 0.253 0.001 0.626
Li 0.753 0.501 0.126
V 0.497 0.749 0.874
V 0.997 0.249 0.374
V 0.773 0.979 0.620
V 0.499 0.250 0.888
V -0.001 0.750 0.388
V 0.273 0.479 0.120
O 0.219 0.509 0.361
O 0.719 0.009 0.861
O 0.013 0... |
Below is a description of a material. | The chemical formula is: Sr2TaInO6.
The XRD pattern shows main peaks at: 18.7°(0.06), 21.6°(0.17), 30.7°(1.0), 44.0°(0.32), 49.6°(0.06), 54.7°(0.42), 64.0°(0.19), 72.7°(0.19), 81.0°(0.07), 89.1°(0.24).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-150555 | 5.82 5.82 5.82
60 60 60
Sr 0.250 0.250 0.250
Sr 0.750 0.750 0.750
Ta 0.500 0.500 0.500
In 0.000 0.000 0.000
O 0.741 0.259 0.259
O 0.259 0.741 0.741
O 0.741 0.259 0.741
O 0.259 0.741 0.259
O 0.741 0.741 0.259
O 0.259 0.259 0.741 |
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