instruction stringclasses 1
value | input stringlengths 172 433 | id stringlengths 7 12 | output stringlengths 43 458 |
|---|---|---|---|
Below is a description of a material. | The chemical formula is: Lu3AlO6.
The XRD pattern shows main peaks at: 16.4°(0.08), 21.4°(0.34), 23.6°(0.16), 31.5°(1.0), 31.9°(0.44), 32.2°(0.25), 33.2°(0.16), 34.1°(0.2), 36.6°(0.07), 43.1°(0.09), 47.6°(0.3), 48.3°(0.22), 53.1°(0.24), 56.8°(0.08), 58.3°(0.08), 59.4°(0.15), 62.3°(0.19), 63.9°(0.07), 64.6°(0.14), 83.0°... | JVASP-46022 | 6.90 6.90 5.27
90 90 77
Lu 0.298 0.913 0.478
Lu 0.087 0.702 0.978
Lu 0.398 0.398 0.430
Lu 0.602 0.602 0.930
Lu 0.702 0.087 0.978
Lu 0.913 0.298 0.478
Al 0.195 0.195 0.010
Al 0.805 0.805 0.510
O 0.892 0.580 0.683
O 0.420 0.108 0.183
O 0.958 0.958 0.641
O 0.785 0.785 0.176
O 0.215 0.215 0.676
O 0.321 0.643 0.704
O 0.580 ... |
Below is a description of a material. | The chemical formula is: HoP2Ru2.
The XRD pattern shows main peaks at: 23.8°(0.31), 35.9°(0.33), 36.5°(1.0), 37.7°(0.16), 44.6°(0.37), 53.0°(0.11), 58.5°(0.15), 59.8°(0.17), 65.0°(0.12), 67.3°(0.17), 76.9°(0.24), 77.6°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types... | JVASP-56812 | 4.06 4.06 5.57
111 111 90
Ho 0.000 0.000 0.000
P 0.376 0.376 0.751
P 0.624 0.624 0.249
Ru 0.750 0.250 0.500
Ru 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: LaCrO3.
The XRD pattern shows main peaks at: 22.9°(0.17), 32.6°(1.0), 40.1°(0.21), 46.7°(0.37), 52.6°(0.1), 58.1°(0.42), 68.2°(0.21), 77.6°(0.18), 82.2°(0.08), 86.7°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-7861 | 3.89 3.89 3.89
90 90 90
La 0.500 0.500 0.500
Cr 0.000 0.000 0.000
O 0.000 0.500 0.000
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: U2SN2.
The XRD pattern shows main peaks at: 13.5°(0.05), 27.1°(0.32), 30.3°(1.0), 38.6°(0.3), 41.2°(0.06), 47.6°(0.27), 49.9°(0.22), 55.7°(0.22), 57.5°(0.19), 63.2°(0.1), 64.8°(0.09), 71.5°(0.08), 76.5°(0.06), 77.8°(0.17), 82.6°(0.08).
Generate atomic structure description with lattice lengths,... | JVASP-15632 | 3.82 3.82 6.57
90 90 120
U 0.667 0.333 0.717
U 0.333 0.667 0.283
S 0.000 0.000 0.000
N 0.333 0.667 0.631
N 0.667 0.333 0.369 |
Below is a description of a material. | The chemical formula is: TlBiF.
The XRD pattern shows main peaks at: 10.9°(0.1), 22.0°(0.57), 27.5°(1.0), 33.2°(0.13), 35.4°(0.75), 39.2°(0.43), 43.6°(0.25), 45.4°(0.39), 52.3°(0.15), 53.3°(0.15), 56.7°(0.16), 61.0°(0.11), 61.5°(0.16), 64.1°(0.24), 67.3°(0.07), 68.6°(0.23), 71.2°(0.09), 74.1°(0.1), 81.6°(0.09), 84.4°(0... | JVASP-117729 | 3.25 3.25 8.10
90 90 90
Tl 0.000 0.000 0.596
Bi 0.000 0.000 0.027
F 0.000 0.000 0.301 |
Below is a description of a material. | The chemical formula is: Ba4YTc.
The XRD pattern shows main peaks at: 15.8°(0.18), 26.0°(0.19), 30.6°(1.0), 31.9°(0.53), 37.1°(0.11), 40.5°(0.05), 45.8°(0.08), 48.8°(0.37), 53.4°(0.37), 62.8°(0.14), 63.6°(0.24), 75.2°(0.25), 78.9°(0.06), 86.9°(0.07).
Generate atomic structure description with lattice lengths, angles, c... | JVASP-66116 | 6.86 6.86 6.86
60 60 60
Ba 0.128 0.624 0.624
Ba 0.624 0.624 0.624
Ba 0.624 0.128 0.624
Ba 0.624 0.624 0.128
Y 0.000 0.000 0.000
Tc 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: Ba2TlSe.
The XRD pattern shows main peaks at: 18.5°(0.11), 30.5°(1.0), 35.9°(0.07), 43.6°(0.19), 54.1°(0.39), 63.4°(0.13), 72.0°(0.17), 88.1°(0.22).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-180311 | 5.87 5.87 5.87
60 60 60
Ba 0.250 0.250 0.250
Ba 0.750 0.750 0.750
Tl 0.500 0.500 0.500
Se -0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: AgPd.
The XRD pattern shows main peaks at: 36.6°(0.25), 38.4°(0.29), 41.5°(1.0), 54.1°(0.16), 66.0°(0.15), 71.5°(0.18), 79.0°(0.19), 81.0°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-102455 | 2.83 2.83 4.69
90 90 120
Ag 0.000 0.000 0.500
Pd 0.667 0.333 0.000 |
Below is a description of a material. | The chemical formula is: LaMg2Ag.
The XRD pattern shows main peaks at: 24.6°(0.58), 35.1°(1.0), 43.3°(0.17), 50.4°(0.18), 56.9°(0.22), 62.9°(0.38), 74.1°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-100281 | 5.12 5.12 5.12
60 60 60
La 0.000 0.000 0.000
Mg 0.250 0.250 0.250
Mg 0.750 0.750 0.750
Ag 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: SiCl2.
The XRD pattern shows main peaks at: 14.0°(0.23), 15.4°(0.11), 27.2°(1.0), 28.4°(0.16), 29.9°(0.2), 30.9°(0.1), 31.5°(0.2), 33.9°(0.09), 34.9°(0.09), 38.2°(0.11), 39.8°(0.06), 45.6°(0.15), 46.1°(0.08), 50.2°(0.14), 52.9°(0.1), 56.4°(0.06).
Generate atomic structure description with latti... | JVASP-152595 | 3.98 6.48 12.65
90 90 90
Si 0.499 0.345 0.513
Si 0.001 0.655 0.013
Si 0.501 0.845 0.987
Si 0.999 0.155 0.487
Cl 0.499 0.586 0.406
Cl 0.001 0.414 0.906
Cl 0.501 0.086 0.094
Cl 0.999 0.914 0.594
Cl 0.499 0.454 0.666
Cl 0.001 0.546 0.166
Cl 0.501 0.954 0.834
Cl 0.999 0.046 0.334 |
Below is a description of a material. | The chemical formula is: TmBiPd.
The XRD pattern shows main peaks at: 23.1°(0.14), 26.8°(0.34), 38.2°(1.0), 47.3°(0.1), 55.1°(0.17), 62.3°(0.15), 69.0°(0.32), 81.8°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-108026 | 4.71 4.71 4.71
60 60 60
Tm 0.500 0.500 0.500
Bi 0.000 0.000 0.000
Pd 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: Na2Sm2Ti3O10.
The XRD pattern shows main peaks at: 6.2°(1.0), 12.4°(0.11), 18.6°(0.06), 23.5°(0.1), 28.1°(0.2), 32.1°(0.54), 33.1°(0.29), 38.3°(0.12), 41.9°(0.14), 47.5°(0.19), 58.5°(0.2), 69.5°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom type... | JVASP-11374 | 3.82 3.82 14.53
97 97 90
Na 0.288 0.288 0.576
Na 0.712 0.712 0.424
Sm 0.425 0.425 0.850
Sm 0.575 0.575 0.150
Ti 0.000 0.000 0.000
Ti 0.146 0.146 0.292
Ti 0.854 0.854 0.708
O 0.500 0.000 0.000
O 0.869 0.369 0.738
O -0.000 0.500 -0.000
O 0.208 0.208 0.416
O 0.792 0.792 0.584
O 0.631 0.131 0.262
O 0.131 0.631 0.262
O 0.36... |
Below is a description of a material. | The chemical formula is: LiBO2.
The XRD pattern shows main peaks at: 25.2°(0.67), 41.0°(1.0), 50.7°(0.26), 62.8°(0.08), 65.5°(0.11), 73.0°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-12790 | 4.18 4.18 4.43
118 118 90
Li 0.500 0.500 -0.000
Li 0.750 0.250 0.500
B 0.000 0.000 0.000
B 0.250 0.750 0.500
O 0.965 0.875 0.250
O 0.625 0.035 0.750
O 0.125 0.715 0.750
O 0.285 0.375 0.250 |
Below is a description of a material. | The chemical formula is: YCr2S4.
The XRD pattern shows main peaks at: 23.8°(0.58), 28.0°(1.0), 33.9°(0.24), 44.5°(0.57), 48.7°(0.78), 71.3°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-59876 | 7.48 7.48 7.48
119 119 90
Y 0.375 0.625 0.750
Y 0.625 0.375 0.250
Cr -0.000 0.500 0.000
Cr 0.000 0.000 0.500
Cr 0.500 0.000 0.500
Cr 0.000 0.000 0.000
S 0.767 0.799 0.533
S 0.766 0.233 0.967
S 0.201 0.233 0.967
S 0.233 0.201 0.467
S 0.233 0.766 0.467
S 0.234 0.767 0.033
S 0.767 0.234 0.533
S 0.799 0.767 0.033 |
Below is a description of a material. | The chemical formula is: Tm2ZnRh.
The XRD pattern shows main peaks at: 26.0°(0.12), 37.1°(1.0), 53.5°(0.17), 66.9°(0.34), 79.0°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-79377 | 4.85 4.85 4.85
60 60 60
Tm 0.000 0.000 0.000
Tm 0.500 0.500 0.500
Zn 0.750 0.750 0.750
Rh 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: Li4NbCrTe2O12.
The XRD pattern shows main peaks at: 21.1°(0.09), 24.0°(1.0), 33.2°(0.4), 35.1°(0.25), 40.5°(0.1), 42.9°(0.13), 49.1°(0.17), 54.0°(0.3), 56.6°(0.16), 58.0°(0.08), 61.7°(0.14), 62.9°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom ty... | JVASP-142169 | 5.11 5.42 7.45
94 90 90
Li 0.001 0.420 0.270
Li 0.497 0.945 0.798
Li -0.002 0.398 0.807
Li 0.502 0.054 0.214
Nb 0.500 0.501 0.508
Cr 0.001 0.988 0.001
Te 0.000 0.992 0.499
Te 0.503 0.503 0.005
O 0.692 0.197 0.935
O 0.823 0.316 0.561
O 0.194 0.315 0.060
O 0.632 0.496 0.251
O 0.365 0.507 0.754
O 0.128 0.015 0.745
O 0.175... |
Below is a description of a material. | The chemical formula is: ErLuB4Ru2.
The XRD pattern shows main peaks at: 20.7°(0.17), 22.0°(0.1), 28.2°(0.21), 30.6°(0.09), 32.2°(0.11), 34.1°(0.55), 35.1°(0.12), 36.6°(0.79), 38.0°(1.0), 40.2°(0.11), 44.8°(0.16), 45.7°(0.16), 48.9°(0.11), 58.3°(0.14), 62.6°(0.15), 63.6°(0.31), 65.2°(0.15), 68.2°(0.09), 75.7°(0.21), 84... | JVASP-112370 | 5.26 5.85 6.32
90 90 90
Er 0.500 0.490 0.587
Er 0.500 0.990 0.413
Lu 0.000 0.511 0.915
Lu 0.000 0.011 0.085
B 0.666 0.132 0.787
B 0.334 0.632 0.213
B 0.165 0.867 0.716
B 0.835 0.367 0.284
B 0.835 0.867 0.716
B 0.165 0.367 0.284
B 0.334 0.132 0.787
B 0.666 0.632 0.213
Ru 0.500 0.316 0.067
Ru 0.500 0.816 0.933
Ru 0.000 0... |
Below is a description of a material. | The chemical formula is: Li8PO3.
The XRD pattern shows main peaks at: 25.3°(0.09), 31.1°(1.0), 36.1°(0.13), 40.6°(0.07), 52.0°(0.71), 61.9°(0.31), 76.6°(0.09), 85.0°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-35169 | 4.97 4.97 4.97
90 90 90
Li 0.267 0.267 0.267
Li 0.733 0.733 0.267
Li 0.733 0.267 0.733
Li 0.267 0.733 0.733
Li 0.267 0.267 0.733
Li 0.733 0.733 0.733
Li 0.733 0.267 0.267
Li 0.267 0.733 0.267
P 0.000 0.000 0.000
O 0.000 0.500 0.500
O 0.500 0.500 0.000
O 0.500 0.000 0.500 |
Below is a description of a material. | The chemical formula is: CeGaPt.
The XRD pattern shows main peaks at: 26.2°(0.32), 32.9°(0.29), 34.3°(1.0), 36.6°(0.07), 39.9°(0.69), 40.4°(0.38), 45.0°(0.15), 47.8°(0.11), 48.6°(0.07), 51.8°(0.08), 53.4°(0.08), 53.9°(0.17), 58.1°(0.09), 62.0°(0.07), 65.3°(0.14), 67.3°(0.1), 69.0°(0.08), 69.6°(0.11), 73.1°(0.1), 74.5°(... | JVASP-143514 | 4.47 7.06 7.86
90 90 90
Ce 0.250 0.985 0.297
Ce 0.250 0.485 0.203
Ce 0.750 0.015 0.703
Ce 0.750 0.515 0.797
Ga 0.250 0.325 0.578
Ga 0.250 0.825 0.922
Ga 0.750 0.675 0.422
Ga 0.750 0.175 0.078
Pt 0.250 0.226 0.906
Pt 0.250 0.726 0.594
Pt 0.750 0.774 0.094
Pt 0.750 0.274 0.406 |
Below is a description of a material. | The chemical formula is: La3P.
The XRD pattern shows main peaks at: 17.4°(0.06), 20.9°(0.16), 32.3°(1.0), 35.3°(0.2), 38.5°(0.3), 53.2°(0.22), 55.6°(0.1), 61.5°(0.15), 65.8°(0.25), 67.6°(0.11), 87.6°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-179493 | 4.67 4.67 6.06
112 112 90
La 0.250 0.750 0.500
La 0.750 0.250 0.500
La 0.500 0.500 -0.000
P 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 leng... | 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: Sm3Mg.
The XRD pattern shows main peaks at: 7.9°(0.4), 15.7°(0.13), 23.7°(0.12), 30.0°(1.0), 31.8°(0.38), 33.1°(1.0), 37.7°(0.46), 50.1°(0.24), 51.3°(0.3), 60.6°(0.14), 61.6°(0.34), 62.4°(0.16), 65.4°(0.1), 83.3°(0.12), 84.9°(0.14), 87.6°(0.09).
Generate atomic structure description with lattic... | JVASP-122870 | 3.56 3.56 11.26
90 90 119
Sm 0.000 0.000 0.500
Sm 0.333 0.667 0.240
Sm 0.667 0.333 0.760
Mg 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: ZnRu.
The XRD pattern shows main peaks at: 20.7°(0.05), 37.8°(0.27), 42.2°(0.23), 43.5°(1.0), 57.9°(0.15), 68.3°(0.16), 78.0°(0.17), 83.6°(0.18), 84.5°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-126775 | 2.75 2.75 4.29
90 90 119
Zn 0.333 0.667 0.250
Ru 0.667 0.333 0.750 |
Below is a description of a material. | The chemical formula is: CuCN.
The XRD pattern shows main peaks at: 25.3°(0.44), 30.0°(1.0), 39.6°(0.14), 41.3°(0.24), 50.5°(0.15), 51.9°(0.12), 53.3°(0.17), 61.1°(0.13), 62.4°(0.1), 66.0°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-8823 | 3.79 3.79 3.79
103 103 103
Cu -0.000 -0.000 -0.000
C 0.621 0.621 0.621
N 0.379 0.379 0.379 |
Below is a description of a material. | The chemical formula is: Li2VF6.
The XRD pattern shows main peaks at: 17.0°(0.82), 19.6°(0.99), 22.4°(0.83), 23.5°(1.0), 28.5°(0.09), 36.9°(0.25), 38.2°(0.18), 39.8°(0.19), 45.8°(0.3), 46.6°(0.67), 49.9°(0.05), 52.3°(0.27), 52.8°(0.15), 54.7°(0.06), 57.4°(0.07), 61.8°(0.1), 65.1°(0.07), 67.4°(0.28), 68.0°(0.12), 86.0°(... | JVASP-43377 | 5.52 8.39 5.51
90 90 70
Li 0.141 0.719 0.750
Li 0.845 0.311 0.750
Li 0.155 0.689 0.250
Li 0.859 0.281 0.250
V 0.623 0.755 0.250
V 0.377 0.245 0.750
F 0.114 0.258 0.982
F 0.114 0.258 0.518
F 0.628 0.258 0.982
F 0.260 0.479 0.750
F 0.740 0.521 0.250
F 0.372 0.742 0.482
F 0.886 0.742 0.018
F 0.628 0.258 0.518
F 0.372 0.74... |
Below is a description of a material. | The chemical formula is: CaSeO4.
The XRD pattern shows main peaks at: 19.0°(0.21), 29.2°(1.0), 30.6°(0.14), 35.3°(0.14), 40.4°(0.07), 47.4°(0.29), 50.8°(0.11), 53.6°(0.15), 59.7°(0.22), 60.5°(0.11), 75.0°(0.07), 76.9°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-166057 | 5.08 5.08 6.86
111 111 90
Ca 0.625 0.875 0.250
Ca 0.375 0.125 0.750
Se 0.125 0.375 0.250
Se 0.875 0.625 0.750
O 0.292 0.433 0.096
O 0.804 0.163 0.096
O 0.933 0.304 0.596
O 0.663 0.792 0.596
O 0.708 0.567 0.904
O 0.196 0.837 0.904
O 0.067 0.696 0.404
O 0.337 0.208 0.404 |
Below is a description of a material. | The chemical formula is: HoTiSi.
The XRD pattern shows main peaks at: 11.8°(0.16), 25.1°(0.89), 31.5°(0.44), 32.6°(1.0), 33.7°(0.73), 35.8°(0.32), 39.7°(0.4), 45.1°(0.48), 48.4°(0.16), 52.3°(0.25), 53.8°(0.13), 56.7°(0.38), 58.9°(0.45), 65.7°(0.15), 66.4°(0.18), 72.8°(0.11), 75.9°(0.13), 77.1°(0.13), 79.6°(0.11), 83.9°... | JVASP-18187 | 4.02 4.02 7.52
90 90 90
Ho 0.500 0.000 0.345
Ho 0.000 0.500 0.655
Ti 0.500 0.500 0.000
Ti 0.000 0.000 0.000
Si 0.500 0.000 0.759
Si 0.000 0.500 0.241 |
Below is a description of a material. | The chemical formula is: Dy2InNi2.
The XRD pattern shows main peaks at: 27.1°(0.22), 30.0°(0.1), 34.7°(0.56), 36.9°(1.0), 38.7°(0.44), 44.4°(0.06), 50.3°(0.16), 51.2°(0.16), 52.8°(0.05), 57.6°(0.18), 59.0°(0.16), 62.4°(0.05), 65.2°(0.18), 70.2°(0.13), 74.2°(0.08), 74.6°(0.1), 84.3°(0.07), 85.6°(0.09).
Generate atomic s... | JVASP-151577 | 7.36 7.36 3.63
90 90 90
Dy 0.175 0.675 0.500
Dy 0.825 0.325 0.500
Dy 0.325 0.175 0.500
Dy 0.675 0.825 0.500
In 0.000 0.000 0.000
In 0.500 0.500 0.000
Ni 0.620 0.120 0.000
Ni 0.380 0.880 0.000
Ni 0.880 0.620 0.000
Ni 0.120 0.380 0.000 |
Below is a description of a material. | The chemical formula is: LiFeC2O6.
The XRD pattern shows main peaks at: 19.1°(1.0), 19.7°(0.18), 22.6°(0.27), 23.3°(0.18), 25.9°(0.72), 29.1°(0.11), 30.0°(0.14), 33.1°(0.36), 35.2°(0.26), 37.4°(0.13), 38.7°(0.17), 39.9°(0.09), 41.1°(0.11), 41.5°(0.3), 43.7°(0.22), 50.3°(0.11), 53.0°(0.16), 54.6°(0.08), 56.4°(0.12), 59.... | JVASP-48224 | 4.56 7.94 5.81
90 98 90
Li 0.040 0.949 0.832
Li 0.960 0.449 0.168
Fe 0.620 0.985 0.303
Fe 0.380 0.485 0.697
C 0.105 0.760 0.423
C 0.895 0.260 0.577
C 0.594 0.738 0.942
C 0.406 0.238 0.058
O 0.319 0.737 0.851
O 0.681 0.237 0.149
O 0.726 0.877 0.018
O 0.737 0.599 0.946
O 0.742 0.393 0.603
O 0.216 0.609 0.410
O 0.836 0.77... |
Below is a description of a material. | The chemical formula is: Al4C3.
The XRD pattern shows main peaks at: 19.7°(0.31), 31.1°(0.2), 32.1°(0.25), 34.4°(0.93), 35.0°(1.0), 36.5°(0.17), 39.0°(0.93), 39.9°(0.48), 41.5°(0.82), 46.3°(0.18), 46.7°(0.29), 52.7°(0.21), 53.1°(0.36), 56.3°(0.18), 57.2°(0.53), 58.4°(0.3), 59.3°(0.29), 63.2°(0.18), 65.1°(0.24), 77.6°(0... | JVASP-51351 | 3.19 5.07 5.60
113 86 103
Al 0.041 0.167 0.751
Al 0.639 0.212 0.207
Al 0.259 0.662 0.692
Al 0.941 0.750 0.228
C 0.076 0.984 0.004
C 0.624 0.347 0.615
C 0.491 0.947 0.482 |
Below is a description of a material. | The chemical formula is: UH3.
The XRD pattern shows main peaks at: 29.1°(0.28), 29.9°(1.0), 37.1°(0.16), 47.8°(0.2), 52.1°(0.2), 53.6°(0.11), 62.4°(0.15), 73.0°(0.06), 77.9°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-125451 | 3.90 4.82 3.42
45 64 51
U 0.250 0.125 -0.250
H 0.750 0.375 0.249
H 0.250 0.625 0.750
H -0.250 -0.125 0.251 |
Below is a description of a material. | The chemical formula is: RbNpO3.
The XRD pattern shows main peaks at: 20.6°(0.31), 29.2°(1.0), 41.8°(0.29), 47.0°(0.16), 51.8°(0.42), 60.6°(0.19), 64.7°(0.08), 68.7°(0.19), 76.3°(0.06), 83.8°(0.22).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-38305 | 4.32 4.32 4.32
90 90 90
Rb 0.000 0.000 0.000
Np 0.500 0.500 0.500
O 0.000 0.500 0.500
O 0.500 0.500 0.000
O 0.500 0.000 0.500 |
Below is a description of a material. | The chemical formula is: Ag2Sn.
The XRD pattern shows main peaks at: 30.2°(0.08), 34.0°(0.5), 36.6°(0.69), 37.8°(1.0), 46.1°(0.06), 49.1°(0.09), 51.7°(0.32), 55.4°(0.07), 62.5°(0.14), 63.3°(0.16), 66.6°(0.08), 69.0°(0.15), 70.5°(0.05), 71.5°(0.06), 73.4°(0.1), 75.7°(0.19), 80.6°(0.07), 83.8°(0.08), 89.0°(0.09).
Generat... | JVASP-156256 | 4.80 4.80 5.91
90 90 66
Ag 0.000 0.000 0.000
Ag 0.317 0.317 0.250
Ag 0.000 0.000 0.500
Ag 0.683 0.683 0.750
Sn 0.669 0.669 0.250
Sn 0.331 0.331 0.750 |
Below is a description of a material. | The chemical formula is: TmSnPd2.
The XRD pattern shows main peaks at: 37.8°(1.0), 54.5°(0.16), 68.3°(0.34), 80.8°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-15290 | 4.76 4.76 4.76
60 60 60
Tm 0.500 0.500 0.500
Sn 0.000 0.000 0.000
Pd 0.250 0.250 0.250
Pd 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: SrLa3.
The XRD pattern shows main peaks at: 28.7°(1.0), 33.3°(0.41), 47.8°(0.32), 56.8°(0.31), 59.5°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-106608 | 6.60 6.60 6.60
131 131 70
Sr 0.000 0.000 0.000
La 0.750 0.250 0.500
La 0.250 0.750 0.500
La 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: BaPt2.
The XRD pattern shows main peaks at: 19.0°(0.2), 31.4°(0.16), 36.9°(1.0), 38.6°(0.52), 44.9°(0.12), 59.5°(0.36), 65.4°(0.34), 78.6°(0.21).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-19816 | 5.71 5.71 5.71
60 60 59
Ba 0.875 0.875 0.875
Ba 0.125 0.125 0.125
Pt 0.500 0.500 0.500
Pt 0.500 0.500 0.000
Pt 0.000 0.500 0.500
Pt 0.500 0.000 0.500 |
Below is a description of a material. | The chemical formula is: TiZnNi.
The XRD pattern shows main peaks at: 24.0°(0.06), 42.2°(1.0), 42.9°(0.98), 61.8°(0.3), 73.9°(0.06), 77.2°(0.15), 77.7°(0.3), 89.0°(0.2).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-183377 | 4.28 4.28 2.57
90 90 120
Ti 0.667 0.333 0.500
Zn -0.000 0.000 -0.000
Ni 0.333 0.667 0.500 |
Below is a description of a material. | The chemical formula is: Ca3BiN.
The XRD pattern shows main peaks at: 15.2°(1.0), 21.6°(0.55), 30.8°(0.46), 34.5°(0.63), 37.9°(0.27), 44.1°(0.34), 46.9°(0.34), 49.6°(0.13), 54.7°(0.12), 57.2°(0.14), 59.5°(0.15), 64.1°(0.05), 66.3°(0.19), 68.5°(0.08), 72.8°(0.15), 74.9°(0.14), 81.1°(0.11), 83.1°(0.07), 85.1°(0.09).
Gene... | JVASP-36459 | 5.81 5.81 5.81
90 90 90
Ca 0.000 0.500 0.500
Ca 0.500 0.000 0.500
Ca 0.500 0.500 0.000
Bi 0.500 0.500 0.500
N 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: CaHg3.
The XRD pattern shows main peaks at: 15.3°(0.09), 23.1°(0.17), 26.7°(0.09), 30.9°(0.25), 34.7°(0.24), 35.6°(1.0), 45.0°(0.08), 47.2°(0.15), 55.0°(0.2), 62.8°(0.21), 66.7°(0.23), 67.2°(0.17), 88.2°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and ... | JVASP-90742 | 5.17 6.68 6.68
119 90 90
Ca 0.750 0.667 0.333
Ca 0.250 0.333 0.667
Hg 0.750 0.165 0.330
Hg 0.750 0.165 0.835
Hg 0.750 0.670 0.835
Hg 0.250 0.835 0.670
Hg 0.250 0.835 0.165
Hg 0.250 0.330 0.165 |
Below is a description of a material. | The chemical formula is: BaYFe4O7.
The XRD pattern shows main peaks at: 28.0°(0.51), 32.9°(1.0), 34.5°(0.34), 52.7°(0.33), 57.8°(0.41), 86.3°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-56634 | 6.38 6.38 6.38
60 60 60
Ba 0.750 0.750 0.750
Y 0.000 0.000 0.000
Fe 0.379 0.379 0.862
Fe 0.379 0.379 0.379
Fe 0.862 0.379 0.379
Fe 0.379 0.862 0.379
O 0.249 0.249 0.751
O 0.751 0.751 0.249
O 0.751 0.249 0.751
O 0.249 0.751 0.249
O 0.249 0.751 0.751
O 0.751 0.249 0.249
O 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: V3O4F2.
The XRD pattern shows main peaks at: 26.2°(0.97), 28.1°(0.96), 36.1°(1.0), 38.8°(0.12), 40.5°(0.25), 41.8°(0.2), 42.4°(0.12), 53.0°(0.64), 54.0°(0.21), 55.0°(0.57), 58.0°(0.2), 62.0°(0.09), 63.0°(0.18), 64.7°(0.09), 68.5°(0.4), 69.5°(0.09), 70.3°(0.11), 83.2°(0.07).
Generate atomic stru... | JVASP-121937 | 5.51 5.51 7.40
69 69 70
V 0.674 0.674 0.850
V 0.339 0.339 0.654
V 0.655 0.655 0.317
V 0.339 0.339 0.180
V 0.999 0.999 0.497
V 0.989 0.989 1.000
O 0.301 0.705 0.999
O 0.369 0.965 0.334
O 0.034 0.631 0.670
O 0.705 0.301 0.999
O 0.766 0.766 0.035
O 0.965 0.369 0.334
O 0.631 0.034 0.670
O 0.433 0.433 0.367
F 0.898 0.898 0.... |
Below is a description of a material. | The chemical formula is: AgSnO2.
The XRD pattern shows main peaks at: 32.0°(1.0), 36.2°(0.64), 39.2°(0.26), 52.1°(0.22), 54.3°(0.39), 62.4°(0.32), 66.5°(0.15), 67.0°(0.22), 76.7°(0.08), 85.6°(0.07), 87.9°(0.1), 89.2°(0.14), 89.7°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-186221 | 3.51 3.51 4.60
90 90 90
Ag 0.500 0.500 0.503
Sn -0.000 0.000 0.003
O 0.000 0.000 0.502
O 0.500 0.500 0.003 |
Below is a description of a material. | The chemical formula is: Lu5Ni2Bi.
The XRD pattern shows main peaks at: 27.6°(0.44), 31.8°(0.64), 33.6°(1.0), 34.0°(0.21), 36.2°(0.61), 38.2°(0.95), 55.2°(0.24), 56.6°(0.25), 59.5°(0.34), 69.1°(0.21), 71.6°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-168817 | 7.45 7.45 8.49
116 116 90
Lu -0.000 -0.000 -0.000
Lu 0.500 0.500 -0.000
Lu 0.287 0.787 0.265
Lu 0.713 0.213 0.735
Lu 0.977 0.477 0.265
Lu 0.477 0.287 0.265
Lu 0.213 0.023 0.735
Lu 0.023 0.523 0.735
Lu 0.523 0.713 0.735
Lu 0.787 0.977 0.265
Ni 0.635 0.135 0.000
Ni 0.365 0.865 -0.000
Ni 0.865 0.635 0.000
Ni 0.135 0.365 0... |
Below is a description of a material. | The chemical formula is: SmXe.
The XRD pattern shows main peaks at: 22.9°(0.44), 27.9°(0.19), 30.2°(1.0), 36.4°(0.2), 45.1°(0.3), 46.8°(0.06), 49.3°(0.16), 55.0°(0.25), 58.9°(0.15), 67.0°(0.1), 69.0°(0.09), 70.3°(0.11), 80.2°(0.11), 89.3°(0.09).
Generate atomic structure description with lattice lengths, angles, coordi... | JVASP-128610 | 3.70 3.70 7.76
90 90 120
Sm 0.333 0.667 0.250
Xe 0.667 0.333 0.750 |
Below is a description of a material. | The chemical formula is: Tl2PdCl6.
The XRD pattern shows main peaks at: 15.7°(0.18), 18.2°(0.29), 25.8°(1.0), 31.8°(0.6), 36.9°(0.59), 41.4°(0.17), 45.6°(0.5), 53.1°(0.38), 60.0°(0.23), 63.3°(0.18), 66.4°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-157756 | 6.89 6.89 6.89
60 60 60
Tl 0.250 0.250 0.250
Tl 0.750 0.750 0.750
Pd 0.000 0.000 0.000
Cl 0.240 0.760 0.240
Cl 0.760 0.240 0.240
Cl 0.760 0.760 0.240
Cl 0.760 0.240 0.760
Cl 0.240 0.760 0.760
Cl 0.240 0.240 0.760 |
Below is a description of a material. | The chemical formula is: Li4Ni3BiO8.
The XRD pattern shows main peaks at: 18.2°(1.0), 20.8°(0.25), 29.5°(0.12), 34.7°(0.55), 36.4°(0.3), 37.0°(0.09), 42.4°(0.67), 46.5°(0.22), 56.4°(0.15), 61.2°(0.21), 61.9°(0.18), 64.4°(0.2), 77.3°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates a... | JVASP-46299 | 6.06 6.06 5.99
59 59 60
Li -0.000 0.000 0.500
Li 0.500 0.000 0.500
Li -0.000 0.500 0.500
Li 0.500 0.500 0.500
Ni 0.500 0.000 -0.000
Ni -0.000 0.500 0.000
Ni 0.500 0.500 -0.000
Bi 0.000 0.000 0.000
O 0.252 0.252 0.756
O 0.739 0.252 0.756
O 0.252 0.739 0.756
O 0.736 0.736 0.793
O 0.264 0.264 0.207
O 0.748 0.261 0.244
O 0... |
Below is a description of a material. | The chemical formula is: SmSi2.
The XRD pattern shows main peaks at: 22.5°(0.41), 24.6°(0.22), 28.5°(0.47), 33.2°(1.0), 38.1°(0.42), 44.1°(0.29), 49.4°(0.21), 51.1°(0.14), 59.6°(0.23), 64.1°(0.1), 73.1°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-17277 | 4.11 4.11 7.79
105 105 90
Sm 0.875 0.625 0.250
Sm 0.125 0.375 0.750
Si 0.708 0.958 0.916
Si 0.458 0.208 0.416
Si 0.542 0.792 0.584
Si 0.292 0.042 0.084 |
Below is a description of a material. | The chemical formula is: Na2Co2O3.
The XRD pattern shows main peaks at: 17.5°(0.22), 22.9°(0.63), 23.7°(0.43), 29.4°(0.18), 33.5°(0.26), 35.6°(0.48), 36.8°(1.0), 37.1°(0.6), 39.1°(0.64), 44.0°(0.13), 48.1°(0.36), 51.3°(0.21), 54.4°(0.09), 58.1°(0.21), 60.9°(0.1), 61.9°(0.09), 64.7°(0.25), 67.6°(0.12), 72.0°(0.09), 78.2... | JVASP-43060 | 5.72 5.59 6.09
90 117 90
Na 0.141 0.347 0.893
Na 0.141 0.153 0.393
Na 0.859 0.847 0.607
Na 0.859 0.653 0.107
Co 0.345 0.629 0.592
Co 0.655 0.129 0.908
Co 0.345 0.871 0.092
Co 0.655 0.371 0.408
O 0.000 0.500 0.500
O 0.000 0.000 0.000
O 0.340 0.926 0.755
O 0.340 0.574 0.255
O 0.660 0.426 0.745
O 0.660 0.074 0.245 |
Below is a description of a material. | The chemical formula is: YTiO3.
The XRD pattern shows main peaks at: 22.9°(0.06), 25.7°(0.23), 31.4°(0.19), 32.8°(1.0), 33.7°(0.3), 39.2°(0.08), 41.3°(0.07), 42.4°(0.1), 46.7°(0.19), 47.5°(0.17), 48.3°(0.14), 52.6°(0.2), 56.9°(0.06), 58.1°(0.09), 59.7°(0.28), 63.5°(0.08), 68.8°(0.08).
Generate atomic structure descript... | JVASP-154902 | 5.32 5.69 7.66
90 90 90
Y 0.479 0.572 0.750
Y 0.521 0.428 0.250
Y 0.021 0.072 0.750
Y 0.979 0.928 0.250
Ti 0.500 0.000 0.500
Ti 0.000 0.500 0.500
Ti 0.500 0.000 0.000
Ti 0.000 0.500 0.000
O 0.811 0.197 0.442
O 0.311 0.303 0.558
O 0.880 0.455 0.750
O 0.189 0.803 0.558
O 0.689 0.697 0.442
O 0.811 0.197 0.058
O 0.311 0.30... |
Below is a description of a material. | The chemical formula is: YZrSc6.
The XRD pattern shows main peaks at: 15.4°(0.06), 23.2°(0.14), 26.8°(0.06), 31.1°(0.27), 34.8°(0.26), 35.7°(1.0), 47.3°(0.15), 55.3°(0.18), 63.0°(0.18), 67.0°(0.2), 67.6°(0.14), 88.7°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-191924 | 5.16 6.64 6.64
120 90 90
Y 0.000 0.083 0.917
Zr 0.500 0.417 0.583
Sc 0.000 0.087 0.419
Sc 0.000 0.581 0.913
Sc 0.000 0.581 0.419
Sc 0.500 0.425 0.087
Sc 0.500 0.913 0.575
Sc 0.500 0.913 0.087 |
Below is a description of a material. | The chemical formula is: Sr3CaCr2S2O5.
The XRD pattern shows main peaks at: 6.2°(1.0), 12.5°(0.06), 22.9°(0.09), 31.7°(0.83), 32.3°(0.42), 32.9°(0.09), 36.6°(0.34), 37.6°(0.21), 46.4°(0.35), 57.3°(0.31), 60.4°(0.12), 67.6°(0.1), 77.0°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinate... | JVASP-11585 | 3.92 3.92 14.47
97 97 90
Sr 0.500 0.500 0.000
Sr 0.631 0.631 0.262
Sr 0.369 0.369 0.738
Ca 0.750 0.250 0.500
Cr 0.067 0.067 0.133
Cr 0.933 0.933 0.867
S 0.184 0.184 0.368
S 0.816 0.816 0.632
O 0.075 0.575 0.150
O 0.575 0.075 0.150
O 0.925 0.425 0.850
O 0.425 0.925 0.850
O 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Sc2GaNi.
The XRD pattern shows main peaks at: 27.4°(0.06), 39.2°(1.0), 56.6°(0.16), 71.0°(0.32), 84.2°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-169753 | 4.60 4.60 4.60
60 60 60
Sc 0.000 -0.000 0.000
Sc 0.500 0.500 0.500
Ga 0.250 0.250 0.250
Ni 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: Se2O.
The XRD pattern shows main peaks at: 20.1°(0.1), 25.8°(1.0), 33.1°(0.94), 33.7°(0.55), 34.3°(0.33), 40.9°(0.11), 44.7°(0.19), 47.1°(0.21), 48.8°(0.36), 50.2°(0.09), 51.4°(0.22), 55.8°(0.09), 57.1°(0.16), 57.5°(0.22), 62.2°(0.12), 63.3°(0.07), 64.7°(0.15), 69.8°(0.11), 74.2°(0.11), 75.0°(0... | JVASP-123688 | 3.87 4.06 4.41
90 89 121
Se 0.746 0.783 0.473
Se 0.254 0.037 0.860
O -0.000 0.180 0.167 |
Below is a description of a material. | The chemical formula is: Sr3IrN3.
The XRD pattern shows main peaks at: 13.3°(0.38), 21.4°(0.34), 26.7°(0.22), 28.7°(0.25), 31.7°(1.0), 33.8°(0.39), 35.6°(0.14), 39.6°(0.32), 40.6°(0.22), 43.6°(0.13), 49.3°(0.09), 49.9°(0.1), 53.8°(0.19), 59.2°(0.16), 61.1°(0.1), 63.3°(0.16), 73.2°(0.11).
Generate atomic structure descr... | JVASP-170902 | 7.70 7.70 5.30
90 90 120
Sr 0.903 0.637 0.250
Sr 0.733 0.097 0.250
Sr 0.363 0.267 0.250
Sr 0.097 0.363 0.750
Sr 0.267 0.903 0.750
Sr 0.637 0.733 0.750
Ir 0.667 0.333 0.750
Ir 0.333 0.667 0.250
N 0.897 0.596 0.750
N 0.699 0.103 0.750
N 0.404 0.301 0.750
N 0.103 0.404 0.250
N 0.301 0.897 0.250
N 0.596 0.699 0.250 |
Below is a description of a material. | The chemical formula is: CdBr.
The XRD pattern shows main peaks at: 20.7°(0.98), 25.0°(0.81), 32.7°(0.66), 36.3°(0.89), 42.2°(0.16), 44.6°(1.0), 49.7°(0.18), 51.3°(0.11), 55.9°(0.13), 56.9°(0.12), 63.1°(0.17), 64.5°(0.3), 65.3°(0.14), 71.1°(0.23), 77.1°(0.06), 82.6°(0.16), 87.6°(0.13).
Generate atomic structure descrip... | JVASP-138505 | 4.95 4.95 3.56
90 90 120
Cd 0.000 0.000 0.000
Br 0.333 0.667 0.000 |
Below is a description of a material. | The chemical formula is: K2Dy4Cu4Se9.
The XRD pattern shows main peaks at: 11.4°(0.51), 13.2°(1.0), 14.3°(0.2), 22.6°(0.19), 27.4°(0.24), 28.8°(0.79), 29.2°(0.54), 29.5°(0.37), 30.7°(0.47), 31.3°(0.58), 32.7°(0.23), 34.1°(0.5), 36.6°(0.27), 38.5°(0.35), 40.5°(0.21), 42.6°(0.59), 44.1°(0.68), 44.9°(0.37), 52.7°(0.17), 6... | JVASP-30482 | 4.11 7.41 15.76
93 97 106
K 0.234 0.200 0.269
K 0.766 0.800 0.731
Dy 0.872 0.640 0.104
Dy 0.099 0.753 0.444
Dy 0.901 0.247 0.556
Dy 0.128 0.360 0.896
Cu 0.490 0.252 0.728
Cu 0.397 0.821 0.972
Cu 0.603 0.179 0.028
Cu 0.510 0.748 0.272
Se 0.476 0.083 0.868
Se 0.213 0.349 0.077
Se 0.524 0.917 0.132
Se 0.918 0.559 0.278
Se... |
Below is a description of a material. | The chemical formula is: CaCuO2.
The XRD pattern shows main peaks at: 23.0°(0.1), 28.1°(0.15), 32.7°(0.35), 36.6°(1.0), 47.0°(0.39), 55.6°(0.07), 58.2°(0.1), 61.0°(0.44), 68.6°(0.12), 77.9°(0.16), 80.4°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-15454 | 3.87 3.87 3.17
90 90 90
Ca 0.500 0.500 0.500
Cu 0.000 0.000 0.000
O 0.000 0.500 0.000
O 0.500 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Ti2AlAu.
The XRD pattern shows main peaks at: 23.9°(0.55), 27.7°(0.38), 39.6°(1.0), 46.8°(0.29), 49.0°(0.11), 57.2°(0.18), 62.9°(0.13), 64.7°(0.15), 71.8°(0.35), 76.9°(0.1), 85.2°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-186321 | 4.56 4.56 4.56
60 60 60
Ti 0.000 0.000 -0.000
Ti 0.250 0.250 0.250
Al 0.750 0.750 0.750
Au 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Al2HgSe4.
The XRD pattern shows main peaks at: 16.3°(0.1), 17.3°(0.37), 21.6°(0.21), 27.2°(1.0), 29.0°(0.22), 35.0°(0.21), 35.5°(0.27), 39.8°(0.11), 44.1°(0.25), 45.7°(0.44), 52.6°(0.29), 55.4°(0.12), 64.1°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates a... | JVASP-2205 | 5.81 5.81 6.81
115 115 90
Al 0.250 0.750 0.500
Al 0.500 0.500 -0.000
Hg 0.000 0.000 0.000
Se 0.125 0.137 0.720
Se 0.594 0.583 0.720
Se 0.863 0.406 0.280
Se 0.417 0.875 0.280 |
Below is a description of a material. | The chemical formula is: NaZnSe2.
The XRD pattern shows main peaks at: 12.2°(0.37), 28.9°(0.08), 32.3°(1.0), 40.3°(0.14), 43.6°(0.36), 48.9°(0.33), 50.5°(0.09), 54.5°(0.1), 59.8°(0.16), 67.6°(0.09), 72.9°(0.1), 80.8°(0.13), 87.8°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-120351 | 7.55 7.55 7.55
28 28 28
Na 0.500 0.500 0.500
Zn 0.000 0.000 0.000
Se 0.738 0.738 0.738
Se 0.262 0.262 0.262 |
Below is a description of a material. | The chemical formula is: V4O7F5.
The XRD pattern shows main peaks at: 24.2°(1.0), 24.6°(0.57), 34.4°(0.1), 35.2°(0.09), 40.8°(0.09), 49.7°(0.16), 50.5°(0.09), 55.2°(0.09), 56.8°(0.1), 63.2°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-121713 | 5.10 5.23 8.84
72 73 61
V 0.219 0.279 0.233
V 0.043 0.008 0.993
V 0.453 0.505 0.491
V 0.743 0.706 0.753
O 0.094 0.654 0.583
O 0.091 0.067 0.172
O 0.596 0.575 0.667
O 0.424 0.399 0.335
O 0.419 0.835 0.916
O 0.961 0.367 0.880
O 0.049 0.608 0.122
F 0.485 0.854 0.377
F 0.583 0.153 0.083
F 0.548 0.123 0.627
F 0.922 0.915 0.... |
Below is a description of a material. | The chemical formula is: H.
The XRD pattern shows main peaks at: 28.4°(1.0), 40.6°(0.1), 50.3°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-21206 | 3.85 3.85 3.85
109 109 109
H 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: HfAg.
The XRD pattern shows main peaks at: 29.4°(0.09), 37.1°(0.6), 37.9°(1.0), 53.4°(0.19), 55.7°(0.07), 67.3°(0.37), 68.9°(0.16), 79.0°(0.07), 80.9°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-17187 | 3.43 3.43 6.60
90 90 90
Hf 0.500 0.000 0.860
Hf 0.000 0.500 0.140
Ag 0.500 0.000 0.383
Ag 0.000 0.500 0.617 |
Below is a description of a material. | The chemical formula is: MoIr.
The XRD pattern shows main peaks at: 19.8°(0.15), 37.2°(0.3), 40.3°(0.25), 42.5°(1.0), 56.0°(0.21), 67.2°(0.17), 74.8°(0.19), 81.3°(0.22), 82.8°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-111352 | 2.79 2.79 4.48
90 90 120
Mo 0.000 0.000 0.000
Ir 0.333 0.667 0.500 |
Below is a description of a material. | The chemical formula is: Zr2ZnAg2F14.
The XRD pattern shows main peaks at: 21.7°(1.0), 25.6°(1.0), 26.6°(0.44), 33.4°(0.2), 34.2°(0.19), 34.6°(0.16), 44.3°(0.37), 46.4°(0.33), 49.3°(0.07), 50.5°(0.06), 51.2°(0.16), 52.4°(0.36), 54.8°(0.08), 56.9°(0.07), 59.7°(0.07), 65.5°(0.15), 66.5°(0.09), 73.1°(0.11).
Generate atomi... | JVASP-38891 | 5.63 5.63 9.24
90 90 73
Zr 0.108 0.108 0.205
Zr 0.892 0.892 0.795
Zn 0.500 0.500 0.000
Ag 0.690 0.690 0.388
Ag 0.310 0.310 0.612
F 0.688 0.688 0.878
F 0.101 0.101 0.717
F 0.002 0.642 0.618
F 0.642 0.002 0.618
F 0.500 0.500 0.500
F 0.358 0.998 0.382
F 0.899 0.899 0.283
F 0.612 0.207 0.860
F 0.312 0.312 0.122
F 0.388 0.7... |
Below is a description of a material. | The chemical formula is: Ar3Pt.
The XRD pattern shows main peaks at: 17.9°(0.7), 25.4°(0.6), 31.3°(1.0), 36.3°(0.49), 40.7°(0.37), 44.8°(0.29), 52.2°(0.33), 55.7°(0.18), 59.0°(0.12), 62.1°(0.36), 65.2°(0.11), 68.3°(0.08), 71.2°(0.16), 77.0°(0.05), 79.8°(0.12), 82.6°(0.08), 85.4°(0.16), 88.2°(0.16).
Generate atomic stru... | JVASP-125056 | 4.95 4.95 4.95
90 90 90
Ar 0.000 0.500 0.500
Ar 0.500 0.000 0.500
Ar 0.500 0.500 0.000
Pt 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Cd2InAgS4.
The XRD pattern shows main peaks at: 24.7°(1.0), 26.2°(0.76), 27.9°(0.65), 28.2°(0.82), 36.1°(0.17), 36.6°(0.19), 43.5°(0.74), 47.1°(0.28), 47.7°(0.28), 51.0°(0.22), 51.6°(0.22), 52.0°(0.19), 52.4°(0.1), 65.9°(0.1), 66.7°(0.1).
Generate atomic structure description with lattice lengt... | JVASP-111096 | 7.90 7.90 7.22
64 64 30
Cd 0.495 0.495 0.175
Cd 0.004 0.004 0.648
In 0.753 0.753 0.600
Ag 0.247 0.247 0.073
S 0.061 0.061 0.263
S 0.567 0.567 0.770
S 0.818 0.818 0.855
S 0.303 0.303 0.367 |
Below is a description of a material. | The chemical formula is: ZnCu2O4.
The XRD pattern shows main peaks at: 29.9°(0.22), 32.4°(0.45), 38.4°(1.0), 50.3°(0.24), 57.2°(0.08), 58.8°(0.17), 62.0°(0.3), 62.8°(0.11), 67.9°(0.09), 69.6°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-52490 | 6.15 6.14 6.15
127 76 127
Zn 0.875 0.750 0.625
Zn 0.125 0.250 0.375
Cu 0.500 0.000 -0.000
Cu 0.500 0.500 -0.000
Cu 0.500 0.000 0.500
Cu 0.000 0.500 -0.000
O 0.835 0.716 0.214
O 0.501 0.216 0.381
O 0.714 0.879 -0.001
O 0.881 0.379 0.665
O 0.119 0.621 0.335
O 0.286 0.121 0.001
O 0.499 0.784 0.619
O 0.165 0.284 0.786 |
Below is a description of a material. | The chemical formula is: VPbO3.
The XRD pattern shows main peaks at: 22.9°(0.36), 32.6°(1.0), 40.2°(0.32), 46.8°(0.23), 52.7°(0.15), 58.2°(0.32), 68.1°(0.14), 73.0°(0.07), 77.3°(0.07), 77.8°(0.13), 82.4°(0.08), 86.7°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-115293 | 3.88 3.88 3.91
90 90 90
V 0.500 0.500 0.632
Pb 0.000 0.000 0.132
O 0.000 0.500 0.632
O 0.500 0.000 0.632
O 0.500 0.500 0.132 |
Below is a description of a material. | The chemical formula is: KBe2Br.
The XRD pattern shows main peaks at: 11.8°(1.0), 26.4°(0.09), 29.1°(0.78), 35.9°(0.77), 37.7°(0.36), 39.7°(0.23), 45.2°(0.17), 48.7°(0.07), 53.2°(0.19), 54.4°(0.12), 55.9°(0.08), 62.9°(0.17), 67.0°(0.26), 68.6°(0.07), 73.4°(0.07), 76.0°(0.07).
Generate atomic structure description with ... | JVASP-70835 | 3.37 3.37 7.48
90 90 90
K 0.500 0.500 0.738
Be 0.000 0.000 0.157
Be 0.500 0.500 0.137
Br 0.000 0.000 0.468 |
Below is a description of a material. | The chemical formula is: Ti3MoRh2.
The XRD pattern shows main peaks at: 28.5°(0.17), 41.0°(1.0), 50.7°(0.07), 59.0°(0.15), 74.4°(0.31).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-191851 | 3.13 3.13 9.29
90 90 90
Ti -0.000 0.000 -0.000
Ti 0.000 0.000 0.663
Ti -0.000 -0.000 0.337
Mo 0.500 0.500 0.500
Rh 0.500 0.500 0.840
Rh 0.500 0.500 0.160 |
Below is a description of a material. | The chemical formula is: TaMnGe.
The XRD pattern shows main peaks at: 25.0°(0.15), 27.5°(0.24), 31.9°(0.23), 37.5°(1.0), 40.9°(0.86), 42.6°(0.37), 48.6°(0.19), 51.3°(0.21), 59.3°(0.19), 65.4°(0.29), 68.8°(0.17), 73.4°(0.11), 79.0°(0.19), 82.2°(0.17), 87.5°(0.08), 89.6°(0.09).
Generate atomic structure description with ... | JVASP-168012 | 3.56 6.48 6.48
120 90 90
Ta 0.500 0.587 -0.000
Ta 0.500 0.413 0.413
Ta 0.500 0.000 0.587
Mn 0.000 0.247 0.000
Mn -0.000 0.752 0.752
Mn 0.000 -0.000 0.248
Ge -0.000 0.333 0.667
Ge 0.000 0.667 0.333
Ge 0.500 -0.000 0.000 |
Below is a description of a material. | The chemical formula is: TaClO2.
The XRD pattern shows main peaks at: 17.6°(1.0), 24.7°(0.77), 27.8°(0.28), 29.3°(0.3), 35.6°(0.31), 36.5°(0.27), 39.1°(0.22), 40.0°(0.22), 41.5°(0.14), 47.2°(0.15), 49.5°(0.08), 50.9°(0.17), 53.1°(0.06), 54.6°(0.07), 55.6°(0.11), 57.5°(0.05), 61.3°(0.15), 63.3°(0.05).
Generate atomic st... | JVASP-134565 | 3.30 3.85 5.51
109 102 90
Ta 0.164 -0.018 0.024
Cl -0.174 0.172 0.410
O 0.190 0.502 0.065
O 0.594 0.885 0.825 |
Below is a description of a material. | The chemical formula is: NaCd2Ag.
The XRD pattern shows main peaks at: 15.7°(0.08), 19.2°(0.41), 31.7°(0.23), 35.4°(0.28), 37.6°(1.0), 43.9°(0.21), 48.3°(0.14), 52.7°(0.14), 59.8°(0.06), 65.1°(0.18), 69.5°(0.05), 71.5°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types... | JVASP-81847 | 12.86 7.72 7.72
38 21 21
Na 0.000 0.000 0.000
Cd 0.640 0.073 0.073
Cd 0.360 -0.073 -0.073
Ag 0.500 0.000 0.000 |
Below is a description of a material. | The chemical formula is: LiO2.
The XRD pattern shows main peaks at: 23.5°(0.21), 30.5°(0.75), 34.3°(1.0), 38.9°(0.36), 42.0°(0.07), 46.6°(0.36), 52.8°(0.26), 58.0°(0.12), 63.6°(0.1), 69.1°(0.13), 72.3°(0.06), 74.3°(0.12), 75.2°(0.05), 85.3°(0.12).
Generate atomic structure description with lattice lengths, angles, coor... | JVASP-118618 | 3.79 2.61 2.93
90 89 90
Li 0.467 0.000 0.133
O -0.208 0.000 -0.367
O 0.142 0.000 -0.367 |
Below is a description of a material. | The chemical formula is: V2B3.
The XRD pattern shows main peaks at: 29.1°(0.08), 29.6°(0.31), 32.7°(0.06), 35.9°(0.8), 39.1°(0.24), 42.7°(0.1), 45.0°(1.0), 45.5°(0.67), 49.4°(0.15), 58.9°(0.17), 60.6°(0.16), 62.3°(0.15), 70.5°(0.05), 71.6°(0.08), 72.5°(0.17), 74.6°(0.06), 76.1°(0.05), 80.4°(0.2).
Generate atomic struct... | JVASP-22390 | 2.98 3.05 9.34
99 90 90
V 0.250 0.295 0.590
V 0.750 0.705 0.410
V 0.250 0.571 0.141
V 0.750 0.429 0.859
B 0.250 0.168 0.337
B 0.750 0.832 0.663
B 0.250 0.882 0.765
B 0.750 0.118 0.235
B 0.750 0.024 0.047
B 0.250 0.976 0.953 |
Below is a description of a material. | The chemical formula is: K2MgCuF6.
The XRD pattern shows main peaks at: 11.0°(0.18), 22.1°(0.17), 24.7°(0.11), 31.4°(1.0), 33.3°(0.05), 38.7°(0.21), 45.0°(0.78), 50.6°(0.07), 55.9°(0.36), 65.5°(0.42), 74.4°(0.09), 83.0°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom type... | JVASP-106060 | 4.03 4.03 8.06
90 90 90
K 0.500 0.500 0.247
K 0.500 0.500 0.753
Mg 0.000 0.000 0.500
Cu 0.000 0.000 0.000
F 0.000 0.000 0.252
F 0.000 0.000 0.748
F 0.000 0.500 0.000
F 0.000 0.500 0.500
F 0.500 0.000 0.000
F 0.500 0.000 0.500 |
Below is a description of a material. | The chemical formula is: LiGaGeRh.
The XRD pattern shows main peaks at: 25.2°(0.37), 41.8°(1.0), 49.5°(0.16), 60.6°(0.16), 66.7°(0.06), 76.3°(0.32).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-192562 | 4.32 4.32 4.32
60 60 60
Ge 0.250 0.250 0.250
Rh 0.000 0.000 0.000
Ga 0.750 0.750 0.750
Li 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: NbNO2.
The XRD pattern shows main peaks at: 23.3°(0.39), 26.4°(0.89), 35.5°(0.97), 37.7°(1.0), 44.7°(0.27), 47.6°(0.17), 54.3°(0.3), 55.2°(0.37), 59.9°(0.14), 61.4°(0.17), 62.2°(0.29), 66.6°(0.31), 75.1°(0.15), 80.5°(0.17), 81.2°(0.22), 85.1°(0.05), 86.5°(0.06).
Generate atomic structure descri... | JVASP-184310 | 3.38 3.38 3.82
90 90 90
Nb 0.500 0.500 0.304
N 0.000 -0.000 0.108
O 0.000 0.000 0.776
O 0.500 0.500 0.821 |
Below is a description of a material. | The chemical formula is: AcSb.
The XRD pattern shows main peaks at: 22.7°(0.15), 26.3°(1.0), 37.5°(0.75), 44.3°(0.09), 46.4°(0.29), 54.1°(0.13), 61.2°(0.34), 67.7°(0.28), 80.1°(0.09), 86.1°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-159923 | 4.79 4.79 4.79
60 60 60
Ac 0.000 0.000 0.000
Sb 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: KZn.
The XRD pattern shows main peaks at: 18.6°(0.15), 26.5°(1.0), 27.3°(0.44), 33.2°(0.08), 37.8°(0.39), 38.4°(0.7), 47.2°(0.39), 51.2°(0.05), 54.5°(0.12), 56.2°(0.05), 61.6°(0.17), 62.0°(0.16), 63.2°(0.15), 68.6°(0.23), 69.8°(0.1), 82.2°(0.06), 87.1°(0.06), 88.2°(0.12).
Generate atomic struct... | JVASP-114322 | 4.76 4.76 3.27
90 90 90
K 0.000 0.000 0.000
Zn 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: NaC.
The XRD pattern shows main peaks at: 11.7°(0.36), 23.5°(0.13), 35.6°(0.41), 36.8°(1.0), 42.4°(0.3), 48.2°(0.07), 50.0°(0.42), 50.6°(0.28), 55.9°(0.07), 60.7°(0.12), 62.9°(0.23), 71.9°(0.08), 73.4°(0.1), 84.3°(0.09), 85.0°(0.13).
Generate atomic structure description with lattice lengths, a... | JVASP-137042 | 2.58 2.58 7.56
90 90 90
Na 0.000 0.000 0.294
Na 0.500 0.500 0.706
C 0.000 0.000 0.982
C 0.500 0.500 0.018 |
Below is a description of a material. | The chemical formula is: CoMo2OsH.
The XRD pattern shows main peaks at: 22.6°(0.17), 33.0°(0.13), 40.3°(1.0), 46.1°(0.35), 48.5°(0.15), 57.8°(0.06), 67.3°(0.11), 69.1°(0.2), 81.4°(0.24), 84.9°(0.11), 87.2°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-187520 | 3.94 3.94 3.76
90 90 90
Co 0.000 -0.000 0.500
Mo 0.000 0.500 0.000
Mo 0.500 0.000 0.000
Os 0.500 0.500 0.500
H 0.000 -0.000 -0.000 |
Below is a description of a material. | The chemical formula is: GeSb4Te7.
The XRD pattern shows main peaks at: 28.0°(1.0), 41.7°(0.41), 51.0°(0.21), 67.9°(0.17), 76.1°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-13042 | 4.33 4.33 24.02
90 90 120
Ge 0.000 0.000 0.500
Sb 0.333 0.667 0.083
Sb 0.667 0.333 0.655
Sb 0.667 0.333 0.917
Sb 0.333 0.667 0.345
Te 0.667 0.333 0.155
Te 0.333 0.667 0.845
Te 0.000 0.000 0.273
Te 0.333 0.667 0.571
Te 0.667 0.333 0.429
Te 0.000 0.000 0.000
Te 0.000 0.000 0.727 |
Below is a description of a material. | The chemical formula is: RbBiF2.
The XRD pattern shows main peaks at: 13.3°(0.29), 24.4°(0.13), 26.7°(0.32), 27.9°(1.0), 34.8°(0.43), 36.5°(0.1), 37.4°(0.1), 44.4°(0.32), 47.9°(0.3), 50.1°(0.16), 57.7°(0.16), 58.3°(0.27), 66.9°(0.08), 71.9°(0.18), 76.0°(0.09), 77.7°(0.05), 79.8°(0.06), 80.4°(0.06), 84.0°(0.07).
Generat... | JVASP-117726 | 3.64 3.64 6.67
90 90 90
Rb 0.500 0.500 0.512
Bi 0.000 0.000 0.008
F 0.000 0.000 0.370
F 0.500 0.500 0.119 |
Below is a description of a material. | The chemical formula is: Ba2ZnBi2.
The XRD pattern shows main peaks at: 13.5°(0.14), 21.2°(0.2), 24.2°(0.49), 24.7°(0.79), 28.0°(0.26), 30.2°(0.11), 33.1°(0.19), 34.9°(1.0), 35.2°(0.8), 43.2°(0.43), 50.4°(0.11), 50.9°(0.13), 51.8°(0.15), 53.7°(0.09), 55.0°(0.14), 57.1°(0.18), 62.3°(0.1), 63.1°(0.23), 67.1°(0.08), 85.4°... | JVASP-151491 | 8.88 8.88 8.88
132 131 70
Ba 0.657 0.365 0.292
Ba 0.343 0.635 0.708
Ba 0.927 0.135 0.792
Ba 0.073 0.865 0.208
Zn 0.500 0.250 0.750
Zn 0.500 0.750 0.250
Bi 0.403 0.115 0.288
Bi 0.597 0.885 0.712
Bi 0.173 0.385 0.788
Bi 0.827 0.615 0.212 |
Below is a description of a material. | The chemical formula is: MgInIr.
The XRD pattern shows main peaks at: 24.5°(0.94), 40.5°(1.0), 47.9°(0.46), 58.6°(0.17), 64.4°(0.21), 73.6°(0.36), 78.9°(0.16), 87.5°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-156357 | 4.46 4.46 4.46
60 60 60
Mg 0.750 0.750 0.750
In 0.250 0.250 0.250
Ir 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Cr2O3F.
The XRD pattern shows main peaks at: 27.2°(0.99), 28.7°(1.0), 36.4°(0.98), 39.9°(0.14), 41.1°(0.2), 42.2°(0.17), 43.9°(0.13), 45.9°(0.05), 54.2°(0.56), 56.0°(0.64), 59.4°(0.16), 63.0°(0.17), 64.2°(0.08), 66.5°(0.08), 70.2°(0.39), 70.6°(0.11), 86.1°(0.1), 89.3°(0.07).
Generate atomic str... | JVASP-182917 | 2.95 4.52 4.52
86 90 90
Cr 0.000 0.020 0.020
Cr 0.500 0.483 0.483
O 0.500 0.197 0.197
O 0.000 0.300 0.696
O 0.000 0.696 0.300
F 0.500 0.803 0.803 |
Below is a description of a material. | The chemical formula is: Na2ZrN2.
The XRD pattern shows main peaks at: 10.0°(1.0), 30.3°(0.08), 30.8°(0.06), 32.5°(0.29), 37.0°(0.33), 43.8°(0.13), 52.0°(0.09), 54.8°(0.1), 55.8°(0.06), 61.4°(0.08), 63.9°(0.06), 68.0°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-92619 | 3.35 3.35 8.85
90 90 120
Na 0.667 0.333 0.292
Na 0.333 0.667 0.708
Zr 0.000 0.000 0.000
N 0.667 0.333 0.869
N 0.333 0.667 0.131 |
Below is a description of a material. | The chemical formula is: VRe11B4.
The XRD pattern shows main peaks at: 6.1°(0.14), 24.4°(0.11), 31.0°(0.15), 32.0°(0.13), 34.4°(0.48), 38.4°(0.49), 40.7°(1.0), 42.3°(0.53), 44.1°(0.46), 46.0°(0.18), 49.4°(0.24), 60.5°(0.06), 63.6°(0.21), 64.2°(0.16), 64.8°(0.08), 76.7°(0.13), 78.4°(0.18), 81.9°(0.06), 87.3°(0.08).
Gene... | JVASP-168876 | 2.93 4.92 14.60
90 90 72
V 0.567 0.865 0.125
Re 0.863 0.273 0.217
Re 0.870 0.260 0.718
Re 0.134 0.732 0.275
Re 0.136 0.728 0.785
Re 0.863 0.273 0.033
Re 0.870 0.260 0.532
Re 0.136 0.728 0.465
Re 0.134 0.732 0.975
Re 0.580 0.840 0.625
Re 0.427 0.147 0.374
Re 0.427 0.147 0.876
B 0.246 0.508 0.125
B 0.259 0.482 0.625
B 0.... |
Below is a description of a material. | The chemical formula is: Ti2MnSi.
The XRD pattern shows main peaks at: 42.5°(1.0), 61.7°(0.15), 77.8°(0.29).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-79210 | 4.25 4.25 4.25
60 60 60
Ti 0.000 0.000 0.000
Ti 0.750 0.750 0.750
Mn 0.500 0.500 0.500
Si 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: FeP2.
The XRD pattern shows main peaks at: 23.8°(0.72), 31.6°(0.31), 36.5°(0.44), 37.4°(1.0), 39.6°(0.15), 40.7°(0.34), 48.7°(0.24), 49.7°(0.38), 51.7°(0.32), 52.1°(0.65), 57.9°(0.34), 59.3°(0.37), 59.8°(0.17), 62.5°(0.06), 68.2°(0.15), 74.8°(0.12), 77.5°(0.12), 79.9°(0.08), 87.8°(0.11).
Genera... | JVASP-7937 | 2.75 4.98 5.67
90 90 90
Fe 0.500 0.500 0.500
Fe 0.000 0.000 0.000
P 0.500 0.329 0.868
P 0.500 0.671 0.132
P 0.000 0.171 0.368
P 0.000 0.829 0.632 |
Below is a description of a material. | The chemical formula is: MnGa2Ni.
The XRD pattern shows main peaks at: 44.0°(1.0), 64.0°(0.16), 80.9°(0.28).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-110100 | 4.11 4.11 4.11
60 60 60
Mn 0.500 0.500 0.500
Ga 0.250 0.250 0.250
Ga 0.750 0.750 0.750
Ni 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: ScAsP.
The XRD pattern shows main peaks at: 24.6°(0.23), 28.5°(0.46), 40.7°(1.0), 48.1°(0.11), 50.4°(0.13), 58.9°(0.16), 66.7°(0.16), 74.1°(0.3), 88.1°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-75471 | 4.43 4.43 4.43
60 60 60
Sc 0.000 0.000 0.000
As 0.500 0.500 0.500
P 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: LiMg3.
The XRD pattern shows main peaks at: 16.1°(0.1), 17.6°(0.09), 24.0°(0.11), 32.6°(0.29), 35.7°(0.26), 37.3°(1.0), 49.2°(0.17), 58.2°(0.17), 65.2°(0.17), 70.2°(0.19), 71.3°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-79165 | 6.34 3.17 5.03
90 90 119
Li 0.167 0.667 0.250
Mg 0.665 0.665 0.250
Mg 0.329 0.329 0.750
Mg 0.839 0.339 0.750 |
Below is a description of a material. | The chemical formula is: CaCePd2.
The XRD pattern shows main peaks at: 21.7°(0.14), 35.8°(1.0), 51.5°(0.18), 64.3°(0.34), 75.8°(0.11), 86.7°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-169645 | 5.02 5.02 5.02
60 60 60
Ca 0.250 0.250 0.250
Ce 0.750 0.750 0.750
Pd 0.000 0.000 -0.000
Pd 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: MgSiP2.
The XRD pattern shows main peaks at: 17.7°(0.06), 28.0°(1.0), 44.6°(0.22), 47.4°(0.41), 53.5°(0.26), 58.3°(0.11), 65.0°(0.06), 84.3°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-2199 | 5.74 5.74 6.56
115 115 90
Mg 0.500 0.500 0.000
Mg 0.750 0.250 0.500
Si 0.000 0.000 0.000
Si 0.250 0.750 0.500
P 0.125 0.665 0.750
P 0.915 0.875 0.250
P 0.335 0.375 0.250
P 0.625 0.085 0.750 |
Below is a description of a material. | The chemical formula is: Pm3Al.
The XRD pattern shows main peaks at: 18.3°(0.19), 26.0°(0.16), 32.0°(1.0), 37.1°(0.49), 41.7°(0.1), 45.9°(0.07), 53.5°(0.35), 63.7°(0.41), 66.9°(0.12), 79.1°(0.05), 87.8°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-111290 | 4.84 4.84 4.84
90 90 90
Pm 0.000 0.500 0.500
Pm 0.500 0.000 0.500
Pm 0.500 0.500 0.000
Al 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Ba3Bi2.
The XRD pattern shows main peaks at: 13.5°(0.14), 19.2°(0.5), 23.5°(0.47), 27.2°(1.0), 30.5°(0.08), 33.5°(0.29), 38.9°(0.78), 43.7°(0.14), 45.9°(0.22), 48.1°(0.29), 52.2°(0.16), 56.2°(0.12), 59.9°(0.09), 61.7°(0.1), 63.5°(0.38), 70.4°(0.29), 73.7°(0.09), 83.5°(0.08), 88.2°(0.07), 89.8°(... | JVASP-36513 | 6.55 6.55 6.55
90 90 90
Ba 0.000 0.500 0.500
Ba 0.500 0.000 0.500
Ba 0.500 0.500 0.000
Bi 0.000 0.000 0.000
Bi 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Tl2PAuS4.
The XRD pattern shows main peaks at: 9.6°(0.21), 19.2°(0.21), 20.9°(0.7), 22.8°(0.19), 23.3°(0.44), 24.3°(0.19), 27.7°(0.33), 28.2°(0.35), 29.8°(1.0), 30.5°(0.2), 31.2°(0.56), 31.7°(0.71), 32.6°(0.18), 39.6°(0.49), 42.4°(0.56), 43.9°(0.21), 51.7°(0.16), 54.4°(0.26), 55.2°(0.21), 63.3°... | JVASP-154643 | 6.74 6.52 9.28
86 90 90
Tl 0.250 0.211 0.543
Tl 0.750 0.789 0.457
Tl 0.250 0.570 0.154
Tl 0.750 0.430 0.846
P 0.250 0.715 0.728
P 0.750 0.285 0.272
Au 0.500 0.000 0.000
Au 0.000 0.000 0.000
S 0.491 0.117 0.232
S 0.991 0.883 0.768
S 0.509 0.883 0.768
S 0.009 0.117 0.232
S 0.250 0.436 0.843
S 0.750 0.564 0.157
S 0.250 0.... |
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