instruction stringclasses 1
value | input stringlengths 172 433 | id stringlengths 7 12 | output stringlengths 43 458 |
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Below is a description of a material. | The chemical formula is: CdAs.
The XRD pattern shows main peaks at: 22.5°(0.09), 25.0°(0.22), 28.7°(1.0), 29.1°(0.43), 33.2°(0.38), 34.9°(0.1), 38.0°(0.13), 38.8°(0.5), 43.5°(0.42), 44.6°(0.21), 46.2°(0.23), 47.3°(0.2), 50.5°(0.19), 51.6°(0.16), 55.3°(0.07), 57.7°(0.09), 61.6°(0.14), 66.5°(0.07), 80.3°(0.06), 82.2°(0.0... | JVASP-10115 | 6.13 7.91 8.13
90 90 90
Cd 0.050 0.632 0.862
Cd 0.550 0.868 0.138
Cd 0.950 0.132 0.638
Cd 0.450 0.368 0.362
Cd 0.950 0.368 0.138
Cd 0.450 0.132 0.862
Cd 0.050 0.868 0.362
Cd 0.550 0.632 0.638
As 0.633 0.065 0.404
As 0.133 0.435 0.596
As 0.367 0.565 0.096
As 0.867 0.935 0.904
As 0.367 0.935 0.596
As 0.867 0.565 0.404
As... |
Below is a description of a material. | The chemical formula is: TmTe.
The XRD pattern shows main peaks at: 29.4°(1.0), 42.1°(0.8), 52.2°(0.28), 61.1°(0.13), 69.2°(0.35), 77.0°(0.26).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-14871 | 4.29 4.29 4.29
60 60 60
Tm 0.500 0.500 0.500
Te 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: FeSn2C6N6.
The XRD pattern shows main peaks at: 16.8°(0.2), 22.1°(1.0), 24.9°(0.64), 30.1°(0.29), 33.5°(0.54), 37.0°(0.21), 42.2°(0.3), 42.5°(0.19), 43.8°(0.19), 45.1°(0.15), 47.2°(0.1), 51.0°(0.13), 52.1°(0.22), 54.1°(0.16), 56.2°(0.16), 66.4°(0.14), 68.2°(0.1), 69.4°(0.13).
Generate atomic st... | JVASP-12368 | 7.16 7.16 5.28
90 90 119
Fe 0.000 0.000 0.000
Sn 0.667 0.333 0.586
Sn 0.333 0.667 0.414
C 0.828 0.755 0.198
C 0.928 0.172 0.198
C 0.245 0.072 0.198
C 0.755 0.928 0.802
C 0.172 0.245 0.802
C 0.072 0.828 0.802
N 0.887 0.289 0.311
N 0.711 0.598 0.311
N 0.402 0.113 0.311
N 0.113 0.711 0.689
N 0.598 0.887 0.689
N 0.289 0.40... |
Below is a description of a material. | The chemical formula is: MoW3Se6S2.
The XRD pattern shows main peaks at: 2.6°(1.0), 5.1°(0.16), 12.8°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-28946 | 3.29 3.29 34.48
90 90 120
Mo 0.333 0.667 0.092
W 0.333 0.667 0.470
W 0.667 0.333 0.284
W 0.667 0.333 0.656
Se 0.333 0.667 0.334
Se 0.333 0.667 0.706
Se 0.667 0.333 0.043
Se 0.667 0.333 0.141
Se 0.333 0.667 0.235
Se 0.333 0.667 0.607
S 0.667 0.333 0.426
S 0.667 0.333 0.515 |
Below is a description of a material. | The chemical formula is: HfCu4Pt.
The XRD pattern shows main peaks at: 22.4°(0.17), 37.0°(0.69), 43.7°(1.0), 45.7°(0.14), 66.7°(0.24), 71.3°(0.31), 78.8°(0.21).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-190901 | 4.86 4.86 4.86
60 60 60
Hf 0.250 0.250 0.250
Cu 0.625 0.625 0.124
Cu 0.625 0.124 0.625
Cu 0.625 0.625 0.625
Cu 0.124 0.625 0.625
Pt 0.000 -0.000 0.000 |
Below is a description of a material. | The chemical formula is: V4GeS8.
The XRD pattern shows main peaks at: 15.8°(0.36), 18.3°(0.49), 26.0°(0.35), 30.6°(0.99), 32.0°(0.19), 37.1°(0.95), 40.5°(0.23), 45.8°(0.32), 48.8°(0.72), 53.4°(1.0), 66.8°(0.06), 79.0°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-22346 | 6.86 6.86 6.86
60 60 60
V 0.604 0.189 0.604
V 0.189 0.604 0.604
V 0.604 0.604 0.189
V 0.604 0.604 0.604
Ge 0.000 0.000 0.000
S 0.863 0.410 0.863
S 0.410 0.863 0.863
S 0.863 0.863 0.410
S 0.863 0.863 0.863
S 0.370 0.889 0.370
S 0.370 0.370 0.370
S 0.370 0.370 0.889
S 0.889 0.370 0.370 |
Below is a description of a material. | The chemical formula is: Sm3SnN.
The XRD pattern shows main peaks at: 31.5°(1.0), 36.6°(0.54), 52.7°(0.39), 62.7°(0.45), 65.8°(0.13), 77.7°(0.06), 86.3°(0.18), 89.1°(0.19).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-104657 | 4.92 4.92 4.92
90 90 90
Sm 0.500 0.000 0.000
Sm 0.000 0.500 0.000
Sm 0.000 0.000 0.500
Sn 0.500 0.500 0.500
N 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Mn3Fe9C4.
The XRD pattern shows main peaks at: 38.1°(0.22), 38.8°(0.36), 40.7°(0.32), 41.8°(0.27), 44.0°(0.61), 44.8°(0.81), 45.3°(0.79), 45.6°(1.0), 46.8°(0.4), 47.1°(0.4), 49.0°(0.21), 49.6°(0.26), 50.1°(0.37), 50.4°(0.3), 55.5°(0.17), 59.8°(0.25), 80.6°(0.26), 84.9°(0.27), 85.7°(0.23), 89.0°... | JVASP-119652 | 4.43 4.95 6.69
89 89 90
Mn 0.338 0.682 0.064
Mn 0.159 0.182 0.439
Mn 0.656 0.320 0.565
Fe 0.843 0.820 0.932
Fe 0.676 0.314 0.932
Fe 0.824 0.815 0.565
Fe 0.326 0.683 0.431
Fe 0.174 0.183 0.071
Fe 0.839 0.535 0.250
Fe 0.660 0.035 0.249
Fe 0.163 0.463 0.751
Fe 0.341 0.965 0.750
C 0.063 0.881 0.248
C 0.436 0.382 0.253
C 0.... |
Below is a description of a material. | The chemical formula is: CdCo.
The XRD pattern shows main peaks at: 19.9°(0.13), 36.5°(0.3), 40.4°(0.24), 41.9°(1.0), 55.6°(0.17), 65.8°(0.15), 74.5°(0.16), 80.1°(0.18), 81.1°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-127733 | 2.84 2.84 4.47
90 90 120
Cd 0.333 0.667 0.250
Co 0.667 0.333 0.750 |
Below is a description of a material. | The chemical formula is: LiC2O2.
The XRD pattern shows main peaks at: 15.7°(0.28), 18.6°(0.2), 25.5°(0.18), 27.6°(0.12), 29.9°(1.0), 31.7°(0.45), 33.5°(0.17), 34.5°(0.19), 37.7°(0.13), 41.2°(0.09), 43.4°(0.11), 52.9°(0.07), 58.7°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-34203 | 3.28 5.95 5.95
106 95 95
Li 0.500 0.355 0.645
Li 0.500 0.645 0.355
C 0.000 0.109 0.891
C 0.167 0.139 0.139
C 0.000 0.891 0.109
C 0.833 0.861 0.861
O 0.631 0.693 0.693
O 0.000 0.759 0.241
O -0.000 0.241 0.759
O 0.369 0.307 0.307 |
Below is a description of a material. | The chemical formula is: GaHO2.
The XRD pattern shows main peaks at: 27.2°(1.0), 35.0°(0.28), 36.3°(0.58), 40.8°(0.11), 41.9°(0.06), 52.2°(0.33), 55.2°(0.41), 56.1°(0.15), 59.8°(0.1), 62.0°(0.09), 64.3°(0.16), 66.9°(0.07), 68.9°(0.14), 73.9°(0.05), 83.4°(0.07), 88.4°(0.08).
Generate atomic structure description with la... | JVASP-8599 | 3.00 4.37 4.96
90 90 90
Ga 0.500 0.224 0.502
Ga 0.000 0.776 0.002
H 0.500 0.305 0.018
H 0.000 0.695 0.518
O 0.000 0.505 0.642
O 0.500 0.495 0.142
O 0.000 0.990 0.352
O 0.500 0.010 0.852 |
Below is a description of a material. | The chemical formula is: Sr2FeMoO6.
The XRD pattern shows main peaks at: 32.7°(1.0), 40.3°(0.06), 46.8°(0.35), 58.3°(0.41), 68.4°(0.23), 77.9°(0.18), 87.0°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-150726 | 5.49 5.49 5.49
120 120 89
Sr 0.750 0.250 0.500
Sr 0.250 0.750 0.500
Fe 0.000 0.000 0.000
Mo 0.500 0.500 0.000
O 0.750 0.249 0.999
O 0.250 0.751 0.001
O 0.249 0.250 0.499
O 0.751 0.750 0.501
O 0.249 0.249 -0.000
O 0.751 0.751 0.000 |
Below is a description of a material. | The chemical formula is: Te.
The XRD pattern shows main peaks at: 27.8°(1.0), 39.7°(0.74), 49.2°(0.27), 57.4°(0.12), 65.0°(0.35), 72.1°(0.26).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-25075 | 4.54 4.54 4.54
60 60 60
Te 0.250 0.250 0.250
Te 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: LiMg.
The XRD pattern shows main peaks at: 13.3°(0.58), 18.2°(0.09), 25.3°(0.19), 29.5°(0.34), 33.5°(0.15), 36.7°(1.0), 37.5°(0.61), 38.6°(0.13), 42.9°(0.08), 51.9°(0.09), 52.3°(0.08), 53.9°(0.1), 57.4°(0.09), 65.7°(0.1), 67.1°(0.24), 78.1°(0.08).
Generate atomic structure description with latt... | JVASP-168171 | 10.73 3.40 7.04
90 108 90
Li 0.353 0.000 0.235
Li 0.194 0.500 0.389
Li 0.036 0.000 0.542
Li 0.853 0.500 0.235
Li 0.694 -0.000 0.389
Li 0.536 0.500 0.542
Mg 0.022 -0.000 0.076
Mg 0.367 -0.000 0.702
Mg 0.194 0.500 0.889
Mg 0.522 0.500 0.076
Mg 0.867 0.500 0.702
Mg 0.694 0.000 0.889 |
Below is a description of a material. | The chemical formula is: YGaPd2.
The XRD pattern shows main peaks at: 19.9°(0.22), 31.7°(0.35), 32.0°(0.3), 34.2°(0.47), 35.0°(0.85), 36.5°(1.0), 38.6°(0.62), 40.3°(0.86), 40.9°(0.17), 42.3°(0.18), 42.9°(0.81), 45.3°(0.27), 51.0°(0.17), 52.6°(0.19), 61.3°(0.21), 63.8°(0.24), 66.6°(0.15), 71.6°(0.21), 72.2°(0.15), 75.6°... | JVASP-154588 | 5.62 7.32 7.17
90 90 90
Y 0.357 0.028 0.750
Y 0.857 0.472 0.250
Y 0.643 0.972 0.250
Y 0.143 0.528 0.750
Ga 0.641 0.385 0.750
Ga 0.141 0.115 0.250
Ga 0.359 0.615 0.250
Ga 0.859 0.885 0.750
Pd 0.911 0.185 0.949
Pd 0.411 0.315 0.051
Pd 0.089 0.815 0.449
Pd 0.589 0.685 0.551
Pd 0.089 0.815 0.051
Pd 0.589 0.685 0.949
Pd 0.9... |
Below is a description of a material. | The chemical formula is: BaSrS.
The XRD pattern shows main peaks at: 18.4°(0.34), 22.2°(0.78), 29.0°(0.26), 32.2°(0.85), 39.5°(1.0), 43.9°(0.09), 45.3°(0.11), 56.7°(0.33), 57.5°(0.16), 62.4°(0.25), 67.4°(0.09), 72.0°(0.16), 76.0°(0.13), 79.7°(0.13), 85.0°(0.11).
Generate atomic structure description with lattice length... | JVASP-114079 | 5.55 5.55 4.01
90 90 120
Ba 0.000 0.000 0.000
Sr 0.667 0.333 0.000
S 0.333 0.667 0.000 |
Below is a description of a material. | The chemical formula is: Na2BeH4.
The XRD pattern shows main peaks at: 24.6°(0.07), 25.4°(1.0), 27.2°(0.34), 32.7°(0.14), 34.8°(0.56), 36.1°(0.36), 36.4°(0.31), 40.1°(0.47), 41.3°(0.13), 45.3°(0.12), 45.7°(0.21), 50.4°(0.08), 52.2°(0.21), 56.0°(0.11), 58.7°(0.12), 59.1°(0.1), 60.7°(0.07), 64.0°(0.09), 67.6°(0.09), 71.5... | JVASP-86190 | 4.98 5.04 6.69
101 90 90
Na 0.250 0.723 0.029
Na 0.750 0.277 0.971
Na 0.750 0.248 0.463
Na 0.250 0.752 0.537
Be 0.250 0.280 0.218
Be 0.750 0.720 0.782
H 0.750 0.931 0.661
H 0.750 0.826 0.999
H 0.520 0.546 0.736
H 0.250 0.069 0.339
H 0.980 0.546 0.736
H 0.020 0.454 0.264
H 0.480 0.454 0.264
H 0.250 0.174 0.001 |
Below is a description of a material. | The chemical formula is: PrZrNO2.
The XRD pattern shows main peaks at: 24.1°(0.07), 30.1°(0.27), 30.8°(1.0), 32.1°(0.05), 43.7°(0.29), 44.3°(0.16), 45.2°(0.08), 50.0°(0.09), 53.9°(0.16), 54.6°(0.22), 63.8°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-143806 | 5.93 5.79 9.98
55 90 90
Pr 0.454 0.774 0.744
Pr 0.954 0.226 0.756
Pr 0.546 0.226 0.256
Pr 0.046 0.774 0.244
Zr 0.000 0.500 0.000
Zr 0.500 0.500 0.500
Zr 0.000 -0.000 0.500
Zr 0.500 0.000 0.000
N 0.291 0.848 0.443
N 0.791 0.152 0.057
N 0.709 0.152 0.557
N 0.209 0.848 0.943
O 0.036 0.641 0.750
O 0.536 0.359 0.750
O 0.964... |
Below is a description of a material. | The chemical formula is: Be2ZnHg.
The XRD pattern shows main peaks at: 16.1°(0.39), 28.5°(1.0), 32.6°(0.36), 32.9°(0.36), 40.7°(0.44), 43.8°(0.7), 53.1°(0.36), 58.4°(0.06), 59.0°(0.15), 61.6°(0.06), 66.2°(0.06), 66.8°(0.18), 69.1°(0.18), 75.6°(0.13), 76.3°(0.29), 82.7°(0.11), 88.2°(0.05).
Generate atomic structure desc... | JVASP-71548 | 3.13 3.13 5.49
90 90 90
Be 0.000 0.000 0.710
Be 0.000 0.000 0.290
Zn 0.500 0.500 0.500
Hg 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: YbPaPt2.
The XRD pattern shows main peaks at: 36.6°(1.0), 52.7°(0.18), 65.8°(0.41), 77.7°(0.13), 89.1°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-39774 | 4.92 4.92 4.92
60 60 60
Yb 0.750 0.750 0.750
Pa 0.250 0.250 0.250
Pt 0.000 0.000 0.000
Pt 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Na2Ti2Sb2O.
The XRD pattern shows main peaks at: 10.6°(0.44), 21.4°(0.17), 22.1°(0.71), 26.8°(0.38), 30.5°(0.39), 32.4°(0.18), 34.6°(0.69), 37.5°(1.0), 43.6°(0.54), 54.3°(0.14), 56.8°(0.31), 63.4°(0.29).
Generate atomic structure description with lattice lengths, angles, coordinates and atom ty... | JVASP-15680 | 4.15 4.15 8.82
103 103 90
Na 0.683 0.683 0.365
Na 0.317 0.317 0.635
Ti -0.000 0.500 -0.000
Ti 0.500 -0.000 0.000
Sb 0.122 0.122 0.244
Sb 0.878 0.878 0.756
O 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: FeCu2GeS4.
The XRD pattern shows main peaks at: 29.1°(1.0), 33.7°(0.07), 48.5°(0.44), 57.4°(0.26), 70.7°(0.05), 78.5°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-92261 | 5.33 5.33 6.49
114 114 90
Fe 0.000 0.000 0.000
Cu 0.750 0.250 0.500
Cu 0.250 0.750 0.500
Ge 0.500 0.500 0.000
S 0.878 0.878 0.251
S 0.373 0.373 0.251
S 0.122 0.627 0.749
S 0.627 0.122 0.749 |
Below is a description of a material. | The chemical formula is: PrGeAu.
The XRD pattern shows main peaks at: 22.4°(0.09), 25.4°(0.31), 32.2°(1.0), 40.0°(0.7), 41.2°(0.16), 45.7°(0.13), 46.3°(0.08), 48.0°(0.06), 52.2°(0.27), 62.3°(0.31), 63.2°(0.07), 67.8°(0.25), 72.7°(0.12), 86.4°(0.08).
Generate atomic structure description with lattice lengths, angles, co... | JVASP-35060 | 4.51 4.51 7.94
90 90 120
Pr -0.000 -0.000 0.751
Pr 0.000 0.000 0.251
Ge 0.667 0.333 0.970
Ge 0.333 0.667 0.470
Au 0.667 0.333 0.520
Au 0.333 0.667 0.020 |
Below is a description of a material. | The chemical formula is: BaSrMgTeO6.
The XRD pattern shows main peaks at: 19.0°(0.27), 31.3°(1.0), 38.5°(0.09), 44.8°(0.37), 55.6°(0.39), 65.2°(0.22), 74.1°(0.19), 82.6°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-101229 | 5.72 5.72 5.72
60 60 60
Ba 0.750 0.750 0.750
Sr 0.250 0.250 0.250
Mg 0.000 0.000 0.000
Te 0.500 0.500 0.500
O 0.741 0.741 0.259
O 0.259 0.741 0.259
O 0.741 0.259 0.259
O 0.259 0.259 0.741
O 0.741 0.259 0.741
O 0.259 0.741 0.741 |
Below is a description of a material. | The chemical formula is: Li2NbF6.
The XRD pattern shows main peaks at: 19.1°(0.27), 20.7°(0.93), 28.3°(1.0), 41.3°(0.6), 42.1°(0.12), 44.3°(0.22), 46.6°(0.25), 54.1°(0.38), 56.8°(0.09), 58.5°(0.1), 60.4°(0.21), 63.8°(0.09), 65.2°(0.17), 71.8°(0.08).
Generate atomic structure description with lattice lengths, angles, co... | JVASP-150483 | 4.96 4.96 4.65
90 90 120
Li 0.333 0.667 0.500
Li 0.667 0.333 0.500
Nb 0.000 0.000 0.000
F 0.329 0.000 0.257
F 0.000 0.329 0.257
F 0.671 0.671 0.257
F 1.000 0.671 0.743
F 0.671 1.000 0.743
F 0.329 0.329 0.743 |
Below is a description of a material. | The chemical formula is: V4FeCuO12.
The XRD pattern shows main peaks at: 13.8°(0.3), 18.6°(0.39), 20.1°(0.46), 23.7°(0.29), 25.9°(0.14), 28.7°(1.0), 30.5°(0.65), 32.6°(0.53), 34.3°(0.09), 35.6°(0.27), 38.6°(0.12), 46.0°(0.25), 47.0°(0.09), 51.3°(0.21), 52.5°(0.12), 55.9°(0.2), 63.7°(0.09), 66.3°(0.12), 67.7°(0.1), 72.8... | JVASP-168179 | 6.64 6.64 5.84
75 104 96
V 0.200 0.614 0.756
V 0.392 0.790 0.267
V 0.614 0.200 0.744
V 0.790 0.392 0.233
Fe 0.919 0.919 0.250
Cu 0.087 0.087 0.750
O 0.029 0.813 0.625
O 0.074 0.382 0.763
O 0.205 0.967 0.174
O 0.377 0.644 0.563
O 0.382 0.074 0.737
O 0.338 0.626 0.059
O 0.644 0.377 0.937
O 0.632 0.911 0.281
O 0.626 0.338... |
Below is a description of a material. | The chemical formula is: LiGeS.
The XRD pattern shows main peaks at: 15.5°(1.0), 25.8°(0.92), 30.3°(0.73), 31.4°(0.08), 36.8°(0.11), 40.2°(0.39), 40.9°(0.25), 47.8°(0.09), 49.0°(0.26), 53.0°(0.18), 55.1°(0.12), 55.6°(0.11), 59.9°(0.13), 62.3°(0.17), 69.2°(0.1), 71.6°(0.06), 78.3°(0.06).
Generate atomic structure descri... | JVASP-136699 | 5.71 6.65 3.45
90 90 148
Li -0.109 0.170 0.000
Ge 0.442 0.164 0.000
S 0.668 0.667 0.000 |
Below is a description of a material. | The chemical formula is: Ba2Mn3AlO8.
The XRD pattern shows main peaks at: 7.7°(0.16), 23.1°(0.05), 24.4°(0.07), 27.9°(0.08), 32.9°(1.0), 36.5°(0.08), 39.0°(0.07), 40.6°(0.11), 47.2°(0.24), 58.8°(0.23), 62.9°(0.05), 69.0°(0.07), 78.6°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates ... | JVASP-9191 | 3.85 3.85 11.54
90 90 90
Ba 0.500 0.500 0.171
Ba 0.500 0.500 0.829
Mn 0.000 0.000 0.354
Mn 0.000 0.000 -0.000
Mn 0.000 0.000 0.646
Al 0.500 0.500 0.500
O 0.000 0.500 0.393
O 0.500 0.000 0.393
O 0.500 0.000 -0.000
O 0.000 0.000 0.183
O 0.000 0.500 0.607
O 0.500 0.000 0.607
O 0.000 0.000 0.817
O 0.000 0.500 -0.000 |
Below is a description of a material. | The chemical formula is: Li3Fe4O3F9.
The XRD pattern shows main peaks at: 13.6°(1.0), 16.0°(0.25), 16.6°(0.21), 19.6°(0.24), 21.1°(0.53), 22.5°(0.11), 23.3°(0.31), 24.7°(0.13), 29.4°(0.51), 31.1°(0.43), 33.4°(0.48), 33.9°(0.19), 34.7°(0.39), 36.0°(0.12), 39.7°(0.37), 41.3°(0.28), 44.2°(0.15), 47.0°(0.12), 55.3°(0.3), 5... | JVASP-112822 | 5.49 5.65 6.67
96 99 98
Li 0.041 0.005 0.032
Li 0.821 0.634 0.343
Li 0.263 0.591 0.143
Fe 0.746 0.433 0.841
Fe 0.165 0.353 0.613
Fe 0.597 0.146 0.366
Fe 0.393 0.860 0.662
O 0.474 0.585 0.766
O 0.807 0.355 0.569
O 0.340 0.122 0.513
F 0.895 0.670 0.076
F 0.629 0.096 0.868
F 0.100 0.334 0.909
F 0.886 0.148 0.242
F 0.177 0... |
Below is a description of a material. | The chemical formula is: Cu3Os.
The XRD pattern shows main peaks at: 24.1°(0.29), 34.4°(0.22), 42.4°(1.0), 49.4°(0.48), 55.7°(0.13), 61.5°(0.09), 72.4°(0.29), 77.6°(0.07), 87.7°(0.36).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-126998 | 3.69 3.69 3.69
90 90 90
Cu 0.000 0.500 0.500
Cu 0.500 0.000 0.500
Cu 0.500 0.500 0.000
Os 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Ce3SnC.
The XRD pattern shows main peaks at: 15.3°(1.0), 26.7°(0.58), 30.9°(0.88), 34.7°(0.59), 44.3°(0.69), 47.2°(0.3), 52.5°(0.26), 55.0°(0.23), 57.5°(0.14), 64.5°(0.12), 66.7°(0.18), 71.1°(0.1), 73.2°(0.3), 75.4°(0.12), 81.6°(0.24), 83.7°(0.06), 87.7°(0.07).
Generate atomic structure descrip... | JVASP-17617 | 5.78 5.78 5.78
90 90 90
Ce 0.000 0.500 0.500
Ce 0.500 0.000 0.500
Ce 0.500 0.500 0.000
Sn 0.500 0.500 0.500
C 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Ce3Zn.
The XRD pattern shows main peaks at: 21.7°(0.06), 33.8°(1.0), 38.7°(0.17), 39.5°(0.32), 56.5°(0.23), 57.1°(0.1), 67.0°(0.12), 68.0°(0.26), 71.1°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-37929 | 5.66 5.66 5.66
132 132 69
Ce 0.750 0.250 0.500
Ce 0.250 0.750 0.500
Ce 0.500 0.500 0.000
Zn 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: SrVO2.
The XRD pattern shows main peaks at: 15.4°(0.09), 29.1°(0.07), 31.0°(0.48), 33.1°(1.0), 41.7°(0.56), 43.1°(0.14), 52.8°(0.36), 56.5°(0.29), 60.4°(0.16), 64.6°(0.05), 69.5°(0.16), 70.7°(0.21), 79.9°(0.11), 87.4°(0.17).
Generate atomic structure description with lattice lengths, angles, co... | JVASP-183438 | 3.06 3.06 5.77
90 90 90
Sr 0.500 0.500 0.555
V -0.000 -0.000 0.047
O 0.000 0.000 0.380
O 0.500 0.500 0.028 |
Below is a description of a material. | The chemical formula is: BeRuPb.
The XRD pattern shows main peaks at: 14.4°(0.45), 29.0°(0.23), 33.1°(0.28), 36.2°(1.0), 44.1°(0.12), 44.5°(0.42), 56.2°(0.16), 59.1°(0.18), 61.1°(0.07), 67.1°(0.13), 70.3°(0.17), 71.3°(0.15), 76.6°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates an... | JVASP-71357 | 3.13 3.13 6.16
90 90 119
Be 0.000 0.000 0.941
Ru 0.667 0.333 0.716
Pb 0.333 0.667 0.343 |
Below is a description of a material. | The chemical formula is: HfFe2.
The XRD pattern shows main peaks at: 21.3°(0.16), 22.3°(0.09), 24.0°(0.14), 31.0°(0.13), 37.2°(0.57), 40.2°(1.0), 43.3°(0.13), 43.8°(0.8), 44.8°(0.41), 62.3°(0.11), 67.2°(0.09), 69.1°(0.3), 71.8°(0.14), 74.8°(0.21), 79.3°(0.13), 86.7°(0.09).
Generate atomic structure description with lat... | JVASP-151292 | 4.83 4.83 7.98
90 90 120
Hf 0.334 0.666 0.065
Hf 0.666 0.334 0.565
Hf 0.666 0.334 0.935
Hf 0.334 0.666 0.435
Fe 0.000 0.000 0.000
Fe 0.000 0.000 0.500
Fe 0.830 0.660 0.250
Fe 0.340 0.170 0.250
Fe 0.829 0.171 0.250
Fe 0.170 0.340 0.750
Fe 0.660 0.830 0.750
Fe 0.171 0.829 0.750 |
Below is a description of a material. | The chemical formula is: LiMnS2.
The XRD pattern shows main peaks at: 15.0°(1.0), 30.4°(0.09), 34.1°(0.98), 43.5°(0.78), 54.1°(0.36), 56.3°(0.31), 63.0°(0.05), 65.5°(0.12), 71.8°(0.16), 81.9°(0.08), 87.7°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-181597 | 3.39 3.39 5.90
90 90 120
Li -0.000 -0.000 0.500
Mn 0.000 -0.000 -0.000
S 0.667 0.333 0.221
S 0.333 0.667 0.779 |
Below is a description of a material. | The chemical formula is: BeCu.
The XRD pattern shows main peaks at: 33.2°(0.98), 47.7°(1.0), 59.4°(0.22), 69.8°(0.14), 79.5°(0.27), 88.9°(0.3).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-14498 | 2.70 2.70 2.70
90 90 90
Be 0.000 0.000 0.000
Cu 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: AlSn.
The XRD pattern shows main peaks at: 24.2°(0.97), 27.3°(0.17), 36.8°(1.0), 42.6°(0.36), 49.5°(0.14), 51.3°(0.2), 56.3°(0.06), 57.5°(0.28), 62.1°(0.15), 67.3°(0.12), 73.0°(0.17), 74.1°(0.28), 78.2°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and a... | JVASP-4552 | 4.25 4.25 3.27
90 90 120
Al 0.000 0.000 0.000
Sn 0.333 0.667 0.500 |
Below is a description of a material. | The chemical formula is: Li2BeSi.
The XRD pattern shows main peaks at: 22.7°(0.47), 27.5°(0.89), 35.7°(0.24), 42.7°(1.0), 46.3°(0.2), 51.3°(0.29), 56.8°(0.12), 59.2°(0.19), 59.8°(0.1), 64.9°(0.07), 69.1°(0.11), 71.6°(0.21), 75.5°(0.09), 83.3°(0.13), 87.2°(0.07).
Generate atomic structure description with lattice length... | JVASP-71883 | 4.66 4.66 4.66
135 135 65
Li 0.000 0.000 0.000
Li 0.500 0.500 0.000
Be 0.750 0.250 0.500
Si 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: BaBiMo.
The XRD pattern shows main peaks at: 19.6°(0.33), 22.6°(0.18), 32.2°(1.0), 38.0°(0.2), 39.7°(0.06), 46.2°(0.19), 50.6°(0.08), 52.0°(0.08), 57.5°(0.35), 61.3°(0.07), 67.4°(0.12), 71.0°(0.06), 76.7°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-66289 | 5.56 5.56 5.56
60 60 60
Ba 0.750 0.750 0.750
Bi 0.000 0.000 0.000
Mo 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: CeNd3.
The XRD pattern shows main peaks at: 28.4°(0.07), 29.5°(0.42), 30.7°(0.32), 32.4°(1.0), 36.8°(0.23), 42.4°(0.05), 48.7°(0.11), 50.3°(0.24), 59.4°(0.06), 60.1°(0.27), 61.2°(0.14), 83.1°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-127962 | 3.63 3.63 11.64
90 90 119
Ce 0.000 0.000 0.000
Nd 0.000 0.000 0.500
Nd 0.333 0.667 0.244
Nd 0.667 0.333 0.756 |
Below is a description of a material. | The chemical formula is: YbMnCuP2.
The XRD pattern shows main peaks at: 13.6°(0.12), 26.4°(0.08), 29.8°(1.0), 38.4°(0.53), 41.6°(0.12), 46.6°(0.36), 50.0°(0.11), 56.3°(0.16), 61.9°(0.13), 63.4°(0.09), 64.2°(0.19), 75.9°(0.12), 80.9°(0.11), 86.4°(0.06).
Generate atomic structure description with lattice lengths, angles,... | JVASP-100535 | 3.90 3.90 6.51
90 90 120
Yb 0.333 0.667 0.990
Mn 0.000 0.000 0.377
Cu 0.667 0.333 0.635
P 0.667 0.333 0.273
P 0.000 0.000 0.725 |
Below is a description of a material. | The chemical formula is: MoWSeS3.
The XRD pattern shows main peaks at: 2.6°(1.0), 5.3°(0.07), 13.2°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-28670 | 3.22 3.22 33.60
90 90 120
Mo 0.333 0.667 0.096
Mo 0.667 0.333 0.659
W 0.333 0.667 0.467
W 0.667 0.333 0.281
Se 0.333 0.667 0.710
Se 0.333 0.667 0.608
S 0.333 0.667 0.328
S 0.667 0.333 0.050
S 0.667 0.333 0.420
S 0.667 0.333 0.142
S 0.667 0.333 0.513
S 0.333 0.667 0.234 |
Below is a description of a material. | The chemical formula is: CuTeCl.
The XRD pattern shows main peaks at: 14.4°(0.46), 15.6°(0.1), 26.0°(0.09), 26.7°(0.17), 27.9°(0.25), 29.1°(0.09), 31.4°(0.55), 32.2°(1.0), 37.8°(0.17), 39.5°(0.14), 42.7°(0.13), 44.1°(0.33), 47.1°(0.28), 48.0°(0.19), 48.8°(0.1), 52.2°(0.15), 54.5°(0.08), 60.3°(0.1), 62.2°(0.16), 71.9°(0... | JVASP-136316 | 6.63 6.63 6.96
117 117 30
Cu 0.271 0.271 0.236
Cu 0.729 0.729 0.764
Te 0.901 0.901 0.541
Te 0.099 0.099 0.459
Cl 0.361 0.361 -0.020
Cl 0.639 0.639 0.020 |
Below is a description of a material. | The chemical formula is: BaBi2Br.
The XRD pattern shows main peaks at: 11.0°(0.35), 22.1°(0.24), 29.8°(0.84), 30.7°(1.0), 31.9°(0.12), 37.4°(0.25), 39.8°(0.1), 42.7°(0.3), 48.6°(0.12), 50.2°(0.28), 53.4°(0.44), 55.0°(0.06), 59.8°(0.06), 61.9°(0.11), 68.0°(0.25), 70.2°(0.15), 70.7°(0.1), 74.6°(0.06), 83.7°(0.07), 86.2°(... | JVASP-65573 | 4.24 4.24 8.04
90 90 90
Ba 0.500 0.500 0.720
Bi 0.000 0.000 0.040
Bi 0.500 0.500 0.194
Br 0.000 0.000 0.546 |
Below is a description of a material. | The chemical formula is: Fe9Se8.
The XRD pattern shows main peaks at: 12.2°(0.06), 15.9°(0.58), 29.4°(1.0), 38.6°(0.44), 48.2°(0.99), 49.1°(0.07), 50.2°(0.46), 53.0°(0.09), 55.7°(0.17), 59.2°(0.26), 67.4°(0.07), 72.9°(0.09), 73.7°(0.12), 78.2°(0.13), 88.6°(0.15).
Generate atomic structure description with lattice lengt... | JVASP-159576 | 7.27 7.27 5.56
90 90 90
Fe 0.750 0.000 0.239
Fe 0.750 0.500 0.245
Fe 0.250 0.500 0.245
Fe 0.500 0.250 0.245
Fe 0.000 0.000 0.554
Fe 0.000 0.250 0.239
Fe 0.000 0.750 0.239
Fe 0.250 0.000 0.239
Fe 0.500 0.750 0.245
Se 0.000 0.500 -0.020
Se 0.753 0.753 0.503
Se 0.247 0.247 0.503
Se 0.247 0.753 0.503
Se 0.753 0.247 0.503
S... |
Below is a description of a material. | The chemical formula is: Yb3Pb.
The XRD pattern shows main peaks at: 31.6°(1.0), 36.7°(0.53), 52.9°(0.34), 62.9°(0.44), 66.1°(0.12), 78.0°(0.06), 86.6°(0.19), 89.4°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-100261 | 4.90 4.90 4.90
90 90 90
Yb 0.000 0.500 0.500
Yb 0.500 0.000 0.500
Yb 0.500 0.500 0.000
Pb 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: NO.
The XRD pattern shows main peaks at: 23.9°(0.84), 24.2°(0.29), 25.3°(0.37), 29.7°(0.35), 30.5°(0.74), 33.3°(0.06), 34.3°(1.0), 34.7°(0.26), 39.1°(0.25), 40.2°(0.11), 49.6°(0.13), 50.6°(0.08), 51.3°(0.11), 54.1°(0.08), 56.1°(0.07), 59.7°(0.08), 62.6°(0.07).
Generate atomic structure descript... | JVASP-90670 | 3.86 3.86 7.50
75 75 84
N 0.840 0.160 0.250
N 0.160 0.840 0.750
N 0.587 0.413 0.250
N 0.413 0.587 0.750
O 0.632 0.687 0.114
O 0.313 0.368 0.386
O 0.368 0.313 0.886
O 0.687 0.632 0.614 |
Below is a description of a material. | The chemical formula is: ZnBiO3.
The XRD pattern shows main peaks at: 21.9°(0.65), 29.3°(1.0), 33.1°(0.75), 33.5°(0.11), 40.0°(0.16), 44.8°(0.32), 47.8°(0.5), 49.4°(0.14), 52.9°(0.14), 56.8°(0.31), 59.1°(0.2), 61.1°(0.15), 69.6°(0.11), 71.0°(0.09), 77.0°(0.13), 79.3°(0.11), 80.8°(0.14).
Generate atomic structure descri... | JVASP-134231 | 4.11 4.11 4.11
82 82 82
Zn 0.564 0.564 0.564
Bi -0.017 -0.017 -0.017
O 0.089 0.502 0.749
O 0.502 0.749 0.089
O 0.749 0.089 0.502 |
Below is a description of a material. | The chemical formula is: SrIn3Au.
The XRD pattern shows main peaks at: 14.0°(0.17), 20.5°(0.42), 27.3°(0.12), 28.6°(0.4), 30.8°(1.0), 39.0°(0.68), 39.6°(0.62), 40.6°(0.45), 42.8°(0.07), 56.3°(0.23), 57.5°(0.33), 58.2°(0.06), 65.6°(0.05), 72.3°(0.13), 83.7°(0.07).
Generate atomic structure description with lattice lengt... | JVASP-107286 | 7.13 7.13 7.13
142 142 54
Sr -0.001 -0.001 0.000
In 0.231 0.731 0.500
In 0.731 0.231 0.500
In 0.383 0.383 -0.000
Au 0.597 0.597 0.000 |
Below is a description of a material. | The chemical formula is: AlZnIr2.
The XRD pattern shows main peaks at: 29.5°(0.44), 42.2°(1.0), 52.3°(0.12), 61.2°(0.17), 69.4°(0.16), 77.1°(0.32).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-41982 | 4.28 4.28 4.28
60 60 60
Al 0.250 0.250 0.250
Zn 0.750 0.750 0.750
Ir 0.000 0.000 0.000
Ir 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: HgPtO2.
The XRD pattern shows main peaks at: 23.8°(1.0), 33.0°(0.42), 33.6°(0.85), 35.7°(0.61), 37.2°(0.26), 44.6°(0.23), 46.8°(0.39), 48.7°(0.13), 51.6°(0.26), 54.3°(0.11), 57.8°(0.2), 62.0°(0.14), 63.2°(0.14), 64.8°(0.13), 68.0°(0.11), 68.5°(0.1), 69.2°(0.1), 70.6°(0.09), 74.9°(0.1), 75.6°(0.... | JVASP-109909 | 3.19 3.19 7.61
98 98 60
Hg 0.500 0.500 0.500
Pt 0.000 0.000 0.000
O 0.635 0.635 0.873
O 0.365 0.365 0.127 |
Below is a description of a material. | The chemical formula is: SnSe.
The XRD pattern shows main peaks at: 24.8°(0.22), 26.0°(0.09), 29.0°(0.31), 30.0°(1.0), 30.4°(0.53), 37.1°(0.4), 40.6°(0.15), 42.5°(0.2), 42.9°(0.24), 46.3°(0.17), 48.6°(0.28), 50.2°(0.07), 53.5°(0.24), 60.6°(0.1), 65.0°(0.08), 65.8°(0.07), 70.7°(0.09), 74.2°(0.1), 78.4°(0.06), 82.8°(0.07... | JVASP-299 | 4.21 4.52 11.78
90 90 90
Sn 0.750 0.386 0.621
Sn 0.250 0.614 0.379
Sn 0.250 0.886 0.879
Sn 0.750 0.114 0.121
Se 0.750 0.028 0.355
Se 0.250 0.972 0.645
Se 0.250 0.528 0.145
Se 0.750 0.472 0.855 |
Below is a description of a material. | The chemical formula is: CuSeO4.
The XRD pattern shows main peaks at: 19.4°(0.08), 22.1°(0.12), 23.7°(0.92), 26.0°(0.57), 32.1°(0.47), 33.8°(1.0), 37.2°(0.57), 41.8°(0.19), 47.6°(0.1), 48.6°(0.23), 52.5°(0.1), 53.5°(0.19), 56.5°(0.16), 58.3°(0.26), 60.6°(0.13), 63.8°(0.38), 66.5°(0.1), 67.2°(0.1), 69.6°(0.17), 87.6°(0.... | JVASP-37845 | 4.90 4.90 6.52
90 90 110
Cu 0.000 0.000 0.000
Cu 0.000 0.000 0.500
Se 0.352 0.648 0.250
Se 0.648 0.352 0.750
O 0.243 0.757 0.033
O 0.228 0.275 0.250
O 0.725 0.772 0.250
O 0.243 0.757 0.467
O 0.757 0.243 0.533
O 0.275 0.228 0.750
O 0.772 0.725 0.750
O 0.757 0.243 0.967 |
Below is a description of a material. | The chemical formula is: MgPa3.
The XRD pattern shows main peaks at: 19.3°(0.08), 21.6°(0.22), 27.3°(0.06), 33.7°(1.0), 35.2°(0.07), 39.1°(0.4), 45.1°(0.07), 53.6°(0.06), 56.5°(0.31), 67.4°(0.3), 70.9°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-79046 | 5.63 5.63 5.63
131 131 70
Mg 0.000 0.000 0.000
Pa 0.500 0.500 0.000
Pa 0.750 0.250 0.500
Pa 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: Th2Co17.
The XRD pattern shows main peaks at: 21.3°(0.18), 21.9°(0.07), 25.7°(0.13), 30.7°(0.59), 31.9°(0.14), 37.3°(0.46), 38.7°(0.36), 43.3°(0.68), 43.7°(1.0), 44.7°(0.4), 79.5°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-11446 | 6.30 6.30 6.30
83 83 83
Th 0.343 0.343 0.343
Th 0.657 0.657 0.657
Co 0.852 0.345 0.345
Co 0.148 0.655 0.655
Co 0.655 0.655 0.148
Co 0.655 0.148 0.655
Co 0.285 0.000 0.715
Co -0.000 0.715 0.285
Co 0.715 0.285 0.000
Co 0.345 0.345 0.852
Co 0.285 0.715 -0.000
Co 0.000 0.500 -0.000
Co 0.500 -0.000 0.000
Co -0.000 -0.000 0.... |
Below is a description of a material. | The chemical formula is: Ba3InBi.
The XRD pattern shows main peaks at: 19.6°(0.3), 24.0°(0.85), 27.8°(1.0), 34.2°(0.16), 39.7°(0.74), 44.7°(0.07), 47.0°(0.4), 49.2°(0.27), 53.4°(0.09), 57.4°(0.12), 63.2°(0.17), 65.0°(0.36), 72.1°(0.27), 77.3°(0.12), 85.6°(0.09).
Generate atomic structure description with lattice length... | JVASP-182410 | 6.42 6.42 6.42
90 90 90
Ba 0.000 0.500 0.500
Ba 0.500 0.000 0.500
Ba 0.500 0.500 0.000
In 0.500 0.500 0.500
Bi 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: NaMg.
The XRD pattern shows main peaks at: 30.9°(0.22), 31.4°(0.3), 34.8°(1.0), 44.7°(0.15), 55.0°(0.16), 58.1°(0.21), 64.7°(0.18), 66.8°(0.13), 84.2°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-123942 | 3.34 3.34 5.70
90 90 120
Na 0.667 0.333 0.750
Mg 0.333 0.667 0.250 |
Below is a description of a material. | The chemical formula is: GaHRh2Pt.
The XRD pattern shows main peaks at: 22.4°(0.13), 32.2°(0.1), 39.6°(1.0), 45.8°(0.33), 46.7°(0.16), 66.7°(0.1), 67.5°(0.19), 80.5°(0.26), 81.8°(0.12), 85.4°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-192713 | 3.96 3.96 3.89
90 90 90
H 0.000 -0.000 -0.000
Rh 0.000 0.500 0.000
Rh 0.500 -0.000 -0.000
Ga 0.500 0.500 0.500
Pt 0.000 -0.000 0.500 |
Below is a description of a material. | The chemical formula is: ZrNb2Mo.
The XRD pattern shows main peaks at: 37.7°(1.0), 39.0°(0.51), 52.5°(0.08), 56.3°(0.17), 67.3°(0.15), 69.8°(0.33), 80.6°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-187111 | 3.27 3.27 6.97
90 90 90
Mo 0.500 0.500 0.000
Nb 0.000 -0.000 0.776
Nb -0.000 0.000 0.224
Zr 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: HoMgCd2.
The XRD pattern shows main peaks at: 21.6°(0.24), 35.6°(1.0), 42.0°(0.11), 51.2°(0.17), 63.9°(0.34), 75.4°(0.1), 86.2°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-101400 | 5.05 5.05 5.05
60 60 60
Ho 0.500 0.500 0.500
Mg 0.000 0.000 0.000
Cd 0.750 0.750 0.750
Cd 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: NdCo5.
The XRD pattern shows main peaks at: 22.7°(0.05), 30.8°(0.51), 36.0°(0.35), 41.8°(0.38), 43.0°(1.0), 46.3°(0.26), 48.1°(0.07), 60.0°(0.15), 61.5°(0.14), 64.1°(0.2), 69.5°(0.23), 76.3°(0.15), 83.4°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and ... | JVASP-149503 | 4.99 4.99 3.92
90 90 120
Nd 0.000 0.000 0.000
Co 0.333 0.667 0.000
Co 0.667 0.333 0.000
Co -0.000 0.500 0.500
Co 0.500 -0.000 0.500
Co 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: ScAgS.
The XRD pattern shows main peaks at: 21.8°(0.63), 26.3°(0.87), 34.4°(0.4), 38.2°(1.0), 44.4°(0.1), 47.0°(0.96), 52.3°(0.12), 54.0°(0.11), 68.1°(0.33), 69.1°(0.15), 75.3°(0.24), 81.8°(0.09), 87.7°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and a... | JVASP-114190 | 4.71 4.71 3.39
90 90 120
Sc 0.667 0.333 0.000
Ag 0.000 0.000 0.000
S 0.333 0.667 0.000 |
Below is a description of a material. | The chemical formula is: TeSO2.
The XRD pattern shows main peaks at: 21.6°(0.47), 30.8°(1.0), 38.0°(0.34), 44.0°(0.3), 44.5°(0.1), 49.6°(0.23), 50.0°(0.21), 54.8°(0.19), 55.1°(0.2), 64.0°(0.09), 64.4°(0.12), 68.8°(0.16), 72.7°(0.16), 73.5°(0.09), 76.9°(0.09), 81.3°(0.06), 89.4°(0.1).
Generate atomic structure descripti... | JVASP-115317 | 4.11 4.11 4.07
90 90 90
Te 0.500 0.500 0.289
S 0.000 0.000 0.151
O 0.000 0.000 0.786
O 0.500 0.500 0.785 |
Below is a description of a material. | The chemical formula is: LiGa2Au.
The XRD pattern shows main peaks at: 13.5°(0.11), 27.3°(1.0), 37.7°(0.38), 43.8°(0.42), 47.2°(0.14), 54.4°(0.13), 61.9°(0.23), 72.3°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-76926 | 13.09 6.97 6.96
28 20 20
Li 0.056 0.001 -0.001
Ga 0.680 -0.000 0.000
Ga 0.287 -0.002 0.002
Au 0.478 0.002 -0.001 |
Below is a description of a material. | The chemical formula is: ZrTaNb2.
The XRD pattern shows main peaks at: 12.9°(0.17), 37.5°(1.0), 38.0°(0.51), 48.1°(0.05), 53.2°(0.08), 54.8°(0.16), 67.3°(0.15), 68.3°(0.35), 79.9°(0.09), 81.3°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-187097 | 3.35 3.35 6.88
90 90 90
Nb 0.000 0.000 0.769
Nb -0.000 -0.000 0.231
Zr 0.500 0.500 0.500
Ta 0.500 0.500 -0.000 |
Below is a description of a material. | The chemical formula is: ScMnCr.
The XRD pattern shows main peaks at: 20.7°(0.13), 22.3°(0.09), 23.5°(0.09), 36.2°(0.23), 39.9°(0.65), 42.1°(0.1), 42.9°(1.0), 43.6°(0.95), 45.5°(0.24), 48.1°(0.28), 50.4°(0.12), 54.9°(0.08), 67.6°(0.21), 69.8°(0.21), 74.0°(0.29), 76.9°(0.25).
Generate atomic structure description with l... | JVASP-141751 | 4.96 4.96 7.98
90 90 119
Sc 0.667 0.333 0.691
Sc 0.333 0.667 0.815
Sc 0.333 0.667 0.185
Sc 0.667 0.333 0.309
Mn 0.171 0.829 0.500
Mn 0.343 0.172 0.000
Mn 0.828 0.657 0.000
Mn 0.827 0.173 0.000
Cr 0.001 0.999 0.242
Cr 0.001 0.999 0.758
Cr 0.662 0.833 0.500
Cr 0.167 0.338 0.500 |
Below is a description of a material. | The chemical formula is: AlGaO3.
The XRD pattern shows main peaks at: 24.0°(0.14), 25.4°(0.25), 28.2°(0.08), 35.3°(1.0), 35.9°(0.21), 36.6°(0.2), 41.0°(0.09), 43.7°(0.14), 44.3°(0.13), 44.9°(0.08), 49.2°(0.15), 52.2°(0.24), 53.8°(0.07), 59.9°(0.1), 62.4°(0.13), 62.9°(0.13), 64.2°(0.17), 65.1°(0.28), 74.6°(0.12), 87.6°(... | JVASP-50544 | 4.91 5.00 7.40
90 90 90
Al 0.000 0.500 0.000
Al 0.000 0.500 0.500
Al 0.500 0.000 0.000
Al 0.500 0.000 0.500
Ga 0.008 0.962 0.750
Ga 0.492 0.462 0.750
Ga 0.508 0.538 0.250
Ga 0.992 0.038 0.250
O 0.823 0.817 0.069
O 0.677 0.317 0.431
O 0.677 0.317 0.069
O 0.628 0.082 0.750
O 0.372 0.918 0.250
O 0.177 0.183 0.569
O 0.323 ... |
Below is a description of a material. | The chemical formula is: FeH3.
The XRD pattern shows main peaks at: 38.7°(1.0), 55.8°(0.17), 70.0°(0.33), 82.9°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-90860 | 3.29 3.29 3.29
90 90 90
Fe 0.500 0.500 0.500
Fe 0.000 0.000 0.000
H 0.500 0.000 0.750
H 0.000 0.250 0.500
H 0.750 0.500 0.000
H 0.500 0.000 0.250
H 0.000 0.750 0.500
H 0.250 0.500 0.000 |
Below is a description of a material. | The chemical formula is: HfTiF6.
The XRD pattern shows main peaks at: 18.8°(0.42), 21.7°(1.0), 30.9°(0.39), 36.4°(0.24), 44.3°(0.22), 48.5°(0.1), 49.8°(0.41), 54.9°(0.15), 58.6°(0.09), 64.4°(0.14), 67.7°(0.09), 68.8°(0.17), 85.5°(0.05), 89.6°(0.06).
Generate atomic structure description with lattice lengths, angles, co... | JVASP-90791 | 8.19 5.79 5.79
60 45 45
Hf 0.500 0.000 0.000
Ti 0.000 0.000 0.000
F 0.254 0.000 0.000
F 0.254 0.492 0.000
F 0.254 0.000 0.492
F 0.746 0.000 0.000
F 0.746 0.000 0.508
F 0.746 0.508 0.000 |
Below is a description of a material. | The chemical formula is: KTaF6.
The XRD pattern shows main peaks at: 16.9°(0.77), 18.4°(0.32), 23.9°(0.7), 25.1°(1.0), 30.4°(0.25), 34.1°(0.08), 38.3°(0.11), 39.0°(0.09), 42.8°(0.58), 44.8°(0.21), 49.0°(0.16), 51.4°(0.16), 52.8°(0.09), 54.5°(0.14), 55.2°(0.09), 55.8°(0.15), 58.7°(0.09), 67.0°(0.11), 68.6°(0.15), 77.4°(... | JVASP-172382 | 5.26 5.26 9.64
90 90 90
K -0.000 0.000 0.000
K -0.000 0.000 0.500
Ta 0.500 0.500 0.250
Ta 0.500 0.500 0.750
F 0.240 0.240 0.250
F 0.760 0.760 0.250
F 0.240 0.760 0.750
F 0.760 0.240 0.750
F 0.316 0.684 0.110
F 0.684 0.316 0.110
F 0.684 0.684 0.890
F 0.316 0.316 0.610
F 0.316 0.316 0.890
F 0.684 0.684 0.610
F 0.684 0.31... |
Below is a description of a material. | The chemical formula is: Sr3SbN.
The XRD pattern shows main peaks at: 29.9°(1.0), 34.6°(0.6), 49.8°(0.41), 59.1°(0.42), 62.1°(0.13), 73.0°(0.06), 80.9°(0.18), 83.4°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-2628 | 5.18 5.18 5.18
90 90 90
Sr 0.500 0.000 0.000
Sr 0.000 0.000 0.500
Sr 0.000 0.500 0.000
Sb 0.500 0.500 0.500
N 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Zn.
The XRD pattern shows main peaks at: 34.1°(0.89), 39.9°(0.34), 40.5°(0.14), 42.7°(1.0), 44.3°(0.9), 48.3°(0.09), 50.7°(0.16), 56.2°(0.12), 65.8°(0.23), 69.3°(0.23), 72.1°(0.27), 82.2°(0.36), 87.6°(0.11), 88.7°(0.11).
Generate atomic structure description with lattice lengths, angles, coordi... | JVASP-169775 | 2.62 2.62 8.03
80 99 120
Zn -0.000 -0.000 0.000
Zn 0.778 0.222 0.335
Zn 0.222 0.778 0.665 |
Below is a description of a material. | The chemical formula is: V2O3F2.
The XRD pattern shows main peaks at: 15.0°(0.61), 25.2°(1.0), 25.7°(0.93), 28.1°(0.28), 30.2°(0.56), 31.0°(0.62), 31.5°(0.67), 34.9°(0.39), 37.3°(0.33), 42.2°(0.21), 42.6°(0.37), 46.0°(0.2), 52.2°(0.21), 53.1°(0.17), 55.4°(0.24), 56.0°(0.69), 56.5°(0.23), 57.2°(0.26), 66.7°(0.22), 68.3°... | JVASP-142668 | 4.72 5.32 6.58
104 111 88
V 0.901 0.299 0.803
V 0.594 0.232 0.196
V 0.406 0.768 0.804
V 0.099 0.701 0.197
O 0.865 0.370 0.097
O 0.720 0.867 0.087
O 0.450 0.520 0.282
O 0.550 0.480 0.718
O 0.280 0.133 0.913
O 0.135 0.630 0.903
F 0.902 0.242 0.498
F 0.671 0.967 0.704
F 0.329 0.033 0.296
F 0.098 0.758 0.502 |
Below is a description of a material. | The chemical formula is: Li2CrCl4.
The XRD pattern shows main peaks at: 14.9°(0.9), 17.6°(0.21), 23.5°(0.08), 24.2°(0.11), 27.0°(0.31), 29.5°(0.32), 30.1°(0.33), 32.3°(0.68), 35.6°(1.0), 46.8°(0.12), 48.0°(0.18), 48.9°(0.39), 49.6°(0.18), 51.3°(0.33), 61.2°(0.14), 62.6°(0.16), 67.7°(0.06), 75.4°(0.08).
Generate atomic ... | JVASP-13035 | 7.13 7.13 7.38
117 117 89
Li 0.107 0.893 0.750
Li 0.893 0.107 0.250
Li 0.500 0.500 -0.000
Li 0.500 0.500 0.500
Cr 0.500 -0.000 0.500
Cr -0.000 0.500 -0.000
Cl 0.279 0.253 0.527
Cl 0.731 0.234 0.489
Cl 0.766 0.269 0.011
Cl 0.269 0.766 0.511
Cl 0.234 0.731 0.989
Cl 0.721 0.747 0.473
Cl 0.253 0.279 0.027
Cl 0.747 0.721 0.... |
Below is a description of a material. | The chemical formula is: ErSi2Tc2.
The XRD pattern shows main peaks at: 23.4°(0.3), 34.4°(0.32), 35.6°(1.0), 44.1°(0.36), 50.2°(0.12), 57.1°(0.15), 57.8°(0.17), 63.7°(0.15), 64.1°(0.11), 69.0°(0.09), 75.5°(0.24).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-156012 | 5.84 5.84 5.84
138 138 59
Er 0.000 0.000 0.000
Si 0.379 0.379 -0.000
Si 0.621 0.621 -0.000
Tc 0.750 0.250 0.500
Tc 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: FeAgO2.
The XRD pattern shows main peaks at: 14.0°(0.15), 28.3°(0.69), 36.9°(1.0), 39.0°(0.84), 42.3°(0.3), 51.6°(0.37), 65.2°(0.28), 72.5°(0.28), 77.3°(0.1), 78.6°(0.09), 87.7°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-7868 | 2.86 2.86 12.63
90 90 119
Fe 0.000 0.000 0.500
Fe 0.000 0.000 0.000
Ag 0.667 0.333 0.750
Ag 0.333 0.667 0.250
O 0.333 0.667 0.421
O 0.667 0.333 0.921
O 0.667 0.333 0.579
O 0.333 0.667 0.079 |
Below is a description of a material. | The chemical formula is: CeIn2Rh.
The XRD pattern shows main peaks at: 31.4°(1.0), 33.0°(0.13), 35.0°(0.36), 35.7°(0.1), 37.6°(0.28), 39.1°(0.53), 40.6°(0.31), 41.0°(0.18), 42.8°(0.07), 46.8°(0.1), 55.4°(0.16), 56.5°(0.1), 61.8°(0.16), 62.5°(0.11), 66.1°(0.11), 68.3°(0.14), 69.7°(0.09), 71.3°(0.06), 84.5°(0.08), 88.5°(... | JVASP-103013 | 5.53 5.53 7.77
90 90 130
Ce 0.068 0.932 0.250
Ce 0.932 0.068 0.750
In 0.357 0.643 0.047
In 0.643 0.357 0.953
In 0.643 0.357 0.547
In 0.357 0.643 0.453
Rh 0.808 0.192 0.250
Rh 0.192 0.808 0.750 |
Below is a description of a material. | The chemical formula is: Li2Bi.
The XRD pattern shows main peaks at: 20.7°(1.0), 25.7°(0.25), 33.2°(0.67), 36.3°(0.29), 42.2°(0.19), 45.0°(0.35), 50.1°(0.22), 56.9°(0.16), 57.3°(0.16), 63.4°(0.22), 65.8°(0.11), 69.8°(0.09), 71.5°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-114327 | 4.94 4.94 3.47
90 90 120
Li 0.333 0.667 0.000
Li 0.667 0.333 0.000
Bi 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: LaV2BiO8.
The XRD pattern shows main peaks at: 18.1°(0.46), 24.0°(1.0), 32.3°(0.7), 34.2°(0.23), 39.0°(0.16), 43.3°(0.05), 47.7°(0.56), 49.2°(0.14), 55.4°(0.14), 60.0°(0.17), 62.1°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-143195 | 6.18 6.18 6.18
106 106 116
La 0.250 0.750 0.500
V 0.750 0.250 0.500
V 0.500 0.500 0.000
Bi 0.000 0.000 0.000
O 0.917 0.598 0.681
O 0.492 0.671 0.821
O 0.849 0.671 0.179
O 0.917 0.236 0.319
O 0.329 0.151 0.821
O 0.764 0.083 0.681
O 0.402 0.083 0.319
O 0.329 0.508 0.179 |
Below is a description of a material. | The chemical formula is: NaScGe2O6.
The XRD pattern shows main peaks at: 18.0°(0.23), 19.4°(0.24), 25.6°(0.38), 26.6°(0.11), 28.6°(1.0), 29.4°(0.15), 33.5°(0.53), 34.2°(0.61), 42.4°(0.11), 43.0°(0.18), 45.0°(0.09), 47.2°(0.09), 52.7°(0.12), 53.4°(0.19), 54.1°(0.2), 57.7°(0.1), 58.4°(0.1), 62.6°(0.18), 63.6°(0.18), 66.7... | JVASP-167470 | 5.57 6.87 6.87
83 77 77
Na 0.750 0.691 0.309
Na 0.250 0.309 0.691
Sc 0.750 0.099 0.901
Sc 0.250 0.901 0.099
Ge 0.737 0.618 0.804
Ge 0.763 0.196 0.382
Ge 0.263 0.382 0.196
Ge 0.237 0.804 0.618
O 0.003 0.661 0.617
O 0.497 0.383 0.339
O 0.997 0.339 0.383
O 0.503 0.617 0.661
O 0.325 0.904 0.376
O 0.175 0.624 0.096
O 0.675 ... |
Below is a description of a material. | The chemical formula is: RbBrO3.
The XRD pattern shows main peaks at: 27.8°(1.0), 28.9°(0.87), 33.4°(0.07), 40.5°(0.57), 48.4°(0.18), 50.5°(0.29), 51.3°(0.16), 57.3°(0.13), 59.9°(0.17), 65.5°(0.2), 67.3°(0.18), 74.9°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-156533 | 4.46 4.46 4.46
87 87 87
Rb 0.002 0.002 0.002
Br 0.474 0.474 0.474
O 0.530 0.530 0.099
O 0.530 0.099 0.530
O 0.099 0.530 0.530 |
Below is a description of a material. | The chemical formula is: LiAl2Ag.
The XRD pattern shows main peaks at: 21.6°(0.15), 22.4°(0.88), 31.3°(0.76), 31.9°(0.13), 38.8°(1.0), 43.9°(0.17), 45.7°(0.3), 49.9°(0.19), 51.5°(0.18), 56.5°(0.25), 65.3°(0.22), 66.7°(0.1), 70.0°(0.13), 72.9°(0.06), 77.4°(0.12), 79.9°(0.23), 83.4°(0.1).
Generate atomic structure descri... | JVASP-191662 | 3.97 3.97 4.12
90 90 90
Al 0.000 -0.000 0.000
Al 0.500 0.500 0.000
Ag -0.000 0.500 0.500
Li 0.500 -0.000 0.500 |
Below is a description of a material. | The chemical formula is: CeSbIr.
The XRD pattern shows main peaks at: 24.4°(0.08), 25.5°(0.13), 32.1°(0.38), 33.3°(1.0), 35.7°(0.07), 39.0°(0.54), 39.3°(0.38), 43.6°(0.12), 46.5°(0.17), 50.1°(0.05), 52.3°(0.16), 56.3°(0.14), 58.9°(0.05), 63.4°(0.17), 65.3°(0.06), 67.4°(0.11), 68.5°(0.05), 71.0°(0.09), 71.9°(0.11), 73.1... | JVASP-152346 | 4.59 7.29 8.03
90 90 90
Ce 0.250 0.011 0.309
Ce 0.750 0.489 0.809
Ce 0.750 0.989 0.691
Ce 0.250 0.511 0.191
Sb 0.250 0.176 0.912
Sb 0.750 0.324 0.412
Sb 0.750 0.824 0.088
Sb 0.250 0.676 0.588
Ir 0.250 0.277 0.585
Ir 0.750 0.223 0.085
Ir 0.750 0.723 0.415
Ir 0.250 0.777 0.915 |
Below is a description of a material. | The chemical formula is: NaTe.
The XRD pattern shows main peaks at: 21.3°(0.75), 27.7°(0.22), 30.3°(0.68), 35.2°(1.0), 41.5°(0.27), 43.3°(0.16), 48.8°(0.12), 52.2°(0.1), 57.1°(0.39), 66.1°(0.15), 71.5°(0.05), 74.4°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-139642 | 4.16 3.22 4.18
89 90 89
Na 0.118 0.030 0.007
Te 0.618 0.530 0.507 |
Below is a description of a material. | The chemical formula is: Pr3Sb4Au3.
The XRD pattern shows main peaks at: 21.4°(0.25), 24.8°(0.1), 33.0°(1.0), 39.7°(0.48), 41.7°(0.09), 43.7°(0.13), 45.5°(0.13), 49.1°(0.15), 55.8°(0.06), 57.4°(0.11), 62.0°(0.1), 66.4°(0.1), 67.8°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates an... | JVASP-42855 | 8.80 8.80 8.80
109 109 109
Pr 0.250 0.625 0.375
Pr 0.750 0.875 0.125
Pr 0.375 0.250 0.625
Pr 0.625 0.375 0.250
Pr 0.125 0.750 0.875
Pr 0.875 0.125 0.750
Sb 0.825 0.500 0.000
Sb -0.000 0.825 0.500
Sb 0.500 -0.000 0.825
Sb 0.675 0.675 0.675
Sb -0.000 0.325 0.500
Sb 0.325 0.500 0.000
Sb 0.500 -0.000 0.325
Sb 0.175 0.175 0... |
Below is a description of a material. | The chemical formula is: AlRuPt2.
The XRD pattern shows main peaks at: 24.7°(0.06), 28.6°(0.33), 40.9°(1.0), 50.6°(0.1), 59.2°(0.17), 67.0°(0.13), 74.4°(0.38), 88.5°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-181666 | 4.42 4.42 4.42
60 60 60
Al 0.500 0.500 0.500
Ru -0.000 0.000 -0.000
Pt 0.250 0.250 0.250
Pt 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: Ba4PdBr.
The XRD pattern shows main peaks at: 15.5°(0.16), 25.4°(0.17), 29.9°(1.0), 31.3°(0.48), 36.3°(0.09), 44.8°(0.07), 47.7°(0.35), 52.2°(0.33), 61.3°(0.12), 62.1°(0.21), 73.4°(0.22), 84.7°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types... | JVASP-64823 | 7.01 7.01 7.01
60 60 60
Ba 0.125 0.625 0.625
Ba 0.625 0.625 0.625
Ba 0.625 0.125 0.625
Ba 0.625 0.625 0.125
Pd 0.000 0.000 0.000
Br 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: CrNiAs.
The XRD pattern shows main peaks at: 24.6°(0.09), 28.6°(0.13), 29.7°(0.09), 38.1°(0.9), 41.7°(1.0), 44.4°(0.37), 50.4°(0.34), 50.7°(0.45), 51.4°(0.49), 69.4°(0.17), 74.3°(0.27), 81.7°(0.09), 82.2°(0.29), 88.8°(0.1).
Generate atomic structure description with lattice lengths, angles, coo... | JVASP-15495 | 6.24 6.24 3.62
90 90 120
Cr 0.596 0.596 0.500
Cr 0.000 0.404 0.500
Cr 0.404 0.000 0.500
Ni 0.256 0.256 0.000
Ni 0.744 0.000 0.000
Ni 0.000 0.744 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: BaZn2Ag2.
The XRD pattern shows main peaks at: 17.5°(0.09), 31.6°(1.0), 32.4°(0.45), 35.5°(0.07), 37.2°(0.63), 44.6°(0.17), 48.8°(0.11), 50.1°(0.26), 52.3°(0.08), 53.6°(0.21), 61.3°(0.17), 62.9°(0.11), 63.5°(0.26), 72.2°(0.07), 76.4°(0.07), 79.2°(0.07), 85.8°(0.13), 87.0°(0.12), 87.7°(0.05).
Ge... | JVASP-158067 | 6.10 6.10 6.10
133 133 68
Ba 0.000 0.000 0.000
Zn 0.370 0.370 -0.000
Zn 0.630 0.630 -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: NdNiSn.
The XRD pattern shows main peaks at: 26.2°(0.08), 30.8°(0.09), 33.0°(1.0), 33.5°(0.32), 37.3°(0.1), 37.9°(0.3), 39.2°(0.4), 40.5°(0.45), 47.8°(0.07), 51.3°(0.05), 52.5°(0.18), 54.2°(0.08), 55.7°(0.17), 62.1°(0.08), 64.7°(0.22), 67.1°(0.15), 70.6°(0.12), 71.9°(0.09), 75.9°(0.09).
Generat... | JVASP-23431 | 4.60 7.49 7.63
90 90 90
Nd 0.250 0.520 0.197
Nd 0.750 0.480 0.803
Nd 0.250 0.020 0.303
Nd 0.750 0.980 0.697
Ni 0.750 0.190 0.082
Ni 0.250 0.310 0.582
Ni 0.750 0.690 0.418
Ni 0.250 0.810 0.918
Sn 0.250 0.186 0.909
Sn 0.750 0.314 0.409
Sn 0.250 0.686 0.591
Sn 0.750 0.814 0.091 |
Below is a description of a material. | The chemical formula is: KNa4Cl5.
The XRD pattern shows main peaks at: 30.8°(0.5), 31.2°(1.0), 44.4°(0.79), 45.0°(0.17), 55.5°(0.17), 73.0°(0.13), 73.8°(0.08), 74.4°(0.06), 82.6°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-176480 | 4.03 5.81 10.78
105 100 90
K 0.000 -0.000 -0.000
Na 0.603 0.603 0.206
Na 0.205 0.205 0.410
Na 0.795 0.795 0.590
Na 0.397 0.397 0.794
Cl 0.388 0.888 0.777
Cl 0.199 0.699 0.397
Cl 0.801 0.301 0.603
Cl 0.000 0.500 -0.000
Cl 0.612 0.112 0.223 |
Below is a description of a material. | The chemical formula is: DyTe3.
The XRD pattern shows main peaks at: 6.3°(0.45), 19.1°(0.08), 25.5°(0.62), 29.6°(0.96), 31.0°(0.32), 32.1°(0.19), 33.6°(0.11), 37.2°(1.0), 39.2°(0.32), 44.8°(0.23), 47.3°(0.22), 51.5°(0.08), 52.3°(0.17), 61.0°(0.18), 65.2°(0.09), 67.2°(0.16), 69.7°(0.16), 73.2°(0.07), 77.6°(0.11).
Genera... | JVASP-28447 | 4.05 4.60 14.10
90 98 90
Dy 0.949 0.250 0.897
Dy 0.051 0.750 0.103
Te 0.836 0.250 0.671
Te 0.164 0.750 0.329
Te 0.687 0.250 0.375
Te 0.313 0.750 0.625
Te 0.553 0.250 0.106
Te 0.447 0.750 0.894 |
Below is a description of a material. | The chemical formula is: FeNi2.
The XRD pattern shows main peaks at: 23.6°(0.09), 39.1°(0.25), 46.2°(1.0), 48.4°(0.42), 56.5°(0.06), 70.8°(0.07), 75.8°(0.25), 84.0°(0.24).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-149208 | 4.61 4.61 4.61
60 60 60
Fe 0.000 0.000 0.000
Fe 0.750 0.750 0.750
Ni 0.875 0.375 0.375
Ni 0.375 0.375 0.875
Ni 0.375 0.875 0.375
Ni 0.375 0.375 0.375 |
Below is a description of a material. | The chemical formula is: Y6InCo2.
The XRD pattern shows main peaks at: 18.9°(0.06), 28.4°(0.06), 29.4°(0.07), 30.0°(0.15), 32.2°(1.0), 34.4°(0.28), 34.7°(0.41), 35.2°(0.24), 36.0°(0.15), 37.5°(0.1), 38.4°(0.19), 39.6°(0.09), 53.6°(0.06), 54.2°(0.08), 56.3°(0.11), 60.1°(0.2).
Generate atomic structure description with l... | JVASP-170301 | 8.36 8.36 8.36
106 110 111
Y 0.789 0.770 0.559
Y 0.211 0.230 0.441
Y 0.211 0.770 0.980
Y 0.789 0.230 0.020
Y 0.524 0.712 0.812
Y 0.476 0.288 0.188
Y 0.100 0.288 0.812
Y 0.900 0.712 0.188
Y 0.697 0.382 0.685
Y 0.303 0.618 0.315
Y 0.303 0.988 0.685
Y 0.697 0.012 0.315
In 0.000 0.500 0.500
In 0.000 -0.000 -0.000
Co 0.622 ... |
Below is a description of a material. | The chemical formula is: CaTe.
The XRD pattern shows main peaks at: 24.2°(0.42), 28.1°(1.0), 40.1°(0.78), 47.4°(0.24), 49.7°(0.27), 58.0°(0.12), 63.8°(0.1), 65.7°(0.34), 72.9°(0.25), 78.1°(0.08), 86.6°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-134423 | 4.50 4.50 6.36
90 90 90
Ca 0.000 0.000 0.250
Ca 0.500 0.500 0.750
Te 0.000 0.000 0.750
Te 0.500 0.500 0.250 |
Below is a description of a material. | The chemical formula is: V3B.
The XRD pattern shows main peaks at: 23.4°(0.23), 28.7°(0.06), 33.3°(0.09), 37.4°(0.14), 44.6°(1.0), 47.8°(0.45), 59.5°(0.1), 69.9°(0.12), 79.7°(0.17), 86.8°(0.26).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-185436 | 3.11 3.81 5.38
134 90 89
V 0.880 0.097 0.094
V 0.880 0.097 0.594
V 0.380 0.597 0.094
B 0.380 0.597 0.594 |
Below is a description of a material. | The chemical formula is: TaNi3.
The XRD pattern shows main peaks at: 23.8°(0.1), 27.3°(0.3), 34.9°(0.08), 42.7°(1.0), 44.0°(0.09), 48.6°(0.18), 50.2°(0.31), 72.5°(0.2), 73.8°(0.09), 86.7°(0.13), 89.1°(0.22).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-56526 | 3.63 3.63 4.54
113 113 89
Ta 0.000 0.000 0.000
Ni 0.500 0.500 -0.000
Ni 0.750 0.250 0.500
Ni 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: YbZnAu.
The XRD pattern shows main peaks at: 25.4°(0.22), 26.5°(0.25), 32.8°(0.38), 33.8°(0.19), 34.6°(1.0), 35.7°(0.11), 39.3°(0.44), 40.0°(0.1), 41.5°(0.47), 44.7°(0.19), 45.3°(0.08), 49.3°(0.08), 52.1°(0.1), 54.5°(0.1), 59.0°(0.07), 62.6°(0.16), 64.5°(0.11), 68.7°(0.1), 71.3°(0.15), 74.3°(0.... | JVASP-151116 | 4.35 7.03 8.09
90 90 90
Yb 0.250 0.025 0.306
Yb 0.750 0.475 0.806
Yb 0.750 0.975 0.694
Yb 0.250 0.525 0.194
Zn 0.250 0.161 0.930
Zn 0.750 0.339 0.430
Zn 0.750 0.839 0.070
Zn 0.250 0.661 0.570
Au 0.250 0.267 0.612
Au 0.750 0.233 0.112
Au 0.750 0.733 0.388
Au 0.250 0.767 0.888 |
Below is a description of a material. | The chemical formula is: O.
The XRD pattern shows main peaks at: 23.0°(0.93), 28.8°(1.0), 37.2°(0.44), 42.8°(0.08), 52.4°(0.08), 54.9°(0.18), 59.7°(0.07), 63.2°(0.2), 82.3°(0.07), 85.4°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-79207 | 4.02 4.02 6.19
90 90 148
O 0.686 0.314 0.500
O 0.314 0.686 0.500
O 0.314 0.686 -0.000
O 0.686 0.314 0.000 |
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