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: FeOF.
The XRD pattern shows main peaks at: 28.3°(1.0), 36.9°(0.22), 37.4°(0.35), 42.5°(0.2), 44.9°(0.1), 55.6°(0.22), 56.6°(0.34), 58.5°(0.15), 64.7°(0.08), 67.5°(0.05), 70.0°(0.09), 72.1°(0.11), 72.7°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and at... | JVASP-48017 | 2.88 4.56 4.37
90 90 90
Fe 0.000 0.711 0.003
Fe 0.500 0.289 0.503
O 0.000 0.429 0.717
O 0.500 0.571 0.217
F 0.500 0.930 0.780
F 0.000 0.070 0.280 |
Below is a description of a material. | The chemical formula is: Mg2Sn.
The XRD pattern shows main peaks at: 18.4°(0.46), 30.3°(0.9), 35.7°(1.0), 53.9°(0.4), 63.1°(0.24).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-56535 | 5.89 5.89 5.89
60 60 60
Mg 0.500 0.000 0.500
Mg -0.000 0.500 0.500
Mg 0.500 0.500 0.500
Mg 0.500 0.500 -0.000
Sn 0.875 0.875 0.875
Sn 0.125 0.125 0.125 |
Below is a description of a material. | The chemical formula is: LiUO3.
The XRD pattern shows main peaks at: 22.2°(1.0), 30.4°(0.46), 32.9°(0.35), 35.7°(0.06), 40.1°(0.22), 45.4°(0.19), 49.3°(0.29), 52.2°(0.1), 52.8°(0.21), 57.2°(0.18), 58.8°(0.11), 63.1°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-10200 | 5.93 5.93 5.93
54 54 54
Li 0.473 0.473 0.473
Li 0.973 0.973 0.973
U 0.237 0.237 0.237
U 0.737 0.737 0.737
O 0.134 0.839 0.497
O 0.339 0.634 0.997
O 0.634 0.997 0.339
O 0.997 0.339 0.634
O 0.497 0.134 0.839
O 0.839 0.497 0.134 |
Below is a description of a material. | The chemical formula is: BaSO2.
The XRD pattern shows main peaks at: 17.7°(0.39), 23.0°(0.46), 29.1°(1.0), 32.7°(0.81), 35.8°(0.25), 37.4°(0.25), 43.0°(0.27), 46.9°(0.25), 49.3°(0.38), 50.5°(0.1), 52.9°(0.11), 56.2°(0.34), 60.4°(0.31), 65.5°(0.18), 68.6°(0.08), 76.2°(0.07), 78.1°(0.11), 79.8°(0.22), 85.1°(0.07), 89.0°(... | JVASP-135878 | 3.87 3.87 5.02
90 90 90
Ba 0.500 0.500 0.531
S 0.000 0.000 0.060
O 0.000 0.000 0.387
O 0.500 0.500 0.032 |
Below is a description of a material. | The chemical formula is: LiVOF2.
The XRD pattern shows main peaks at: 13.8°(0.61), 18.7°(1.0), 20.8°(0.08), 23.3°(0.05), 26.6°(0.06), 30.1°(0.19), 34.5°(0.19), 35.8°(0.17), 42.3°(0.35), 44.0°(0.56), 56.7°(0.07), 58.5°(0.13), 61.5°(0.12), 62.1°(0.11), 63.4°(0.1), 63.9°(0.19).
Generate atomic structure description with l... | JVASP-139884 | 5.26 6.47 6.49
95 83 97
Li 0.675 0.227 0.594
Li 0.177 0.399 0.776
Li 0.823 0.601 0.224
Li 0.325 0.773 0.406
V 0.754 0.748 0.748
V 0.246 0.252 0.252
V 0.744 0.069 0.063
V 0.256 0.931 0.937
O 0.391 0.981 0.203
O 0.895 0.805 0.018
O 0.105 0.195 0.982
O 0.609 0.019 0.797
F 0.863 0.463 0.709
F 0.359 0.293 0.536
F 0.641 0.70... |
Below is a description of a material. | The chemical formula is: Ti2AlPd.
The XRD pattern shows main peaks at: 24.4°(0.18), 28.2°(0.17), 40.3°(1.0), 47.6°(0.09), 58.3°(0.16), 66.0°(0.06), 73.3°(0.29), 87.1°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-181664 | 4.48 4.48 4.48
60 60 60
Ti -0.000 -0.000 -0.000
Ti 0.750 0.750 0.750
Al 0.250 0.250 0.250
Pd 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Ba2ErNbO6.
The XRD pattern shows main peaks at: 29.8°(1.0), 42.6°(0.32), 52.8°(0.45), 61.8°(0.21), 70.1°(0.19), 77.9°(0.07), 85.6°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-9994 | 6.01 6.01 6.01
60 60 60
Ba 0.750 0.750 0.750
Ba 0.250 0.250 0.250
Er 0.000 0.000 0.000
Nb 0.500 0.500 0.500
O 0.261 0.739 0.739
O 0.261 0.739 0.261
O 0.739 0.261 0.739
O 0.261 0.261 0.739
O 0.739 0.261 0.261
O 0.739 0.739 0.261 |
Below is a description of a material. | The chemical formula is: YbNaPd6O8.
The XRD pattern shows main peaks at: 15.4°(0.21), 26.9°(0.08), 31.2°(0.13), 35.0°(1.0), 38.4°(0.7), 47.5°(0.06), 55.5°(0.13), 57.9°(0.26), 60.3°(0.35), 65.0°(0.19), 73.8°(0.06), 76.0°(0.22), 78.1°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates ... | JVASP-111736 | 5.74 5.74 5.74
90 90 90
Yb 0.000 0.000 0.000
Na 0.500 0.500 0.500
Pd 0.251 0.000 0.500
Pd 0.749 0.000 0.500
Pd 0.500 0.251 0.000
Pd 0.500 0.749 0.000
Pd 0.000 0.500 0.251
Pd 0.000 0.500 0.749
O 0.244 0.244 0.244
O 0.756 0.756 0.756
O 0.756 0.756 0.244
O 0.756 0.244 0.756
O 0.244 0.244 0.756
O 0.244 0.756 0.244
O 0.244 ... |
Below is a description of a material. | The chemical formula is: Al3Ga.
The XRD pattern shows main peaks at: 21.7°(0.28), 30.9°(0.24), 38.1°(1.0), 44.3°(0.46), 49.8°(0.12), 55.0°(0.08), 64.4°(0.31), 68.8°(0.06), 77.3°(0.36), 81.5°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-194047 | 4.09 4.09 4.09
90 90 90
Al 0.500 0.500 0.000
Al 0.000 0.500 0.500
Al 0.500 0.000 0.500
Ga 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: MoWSe2S2.
The XRD pattern shows main peaks at: 2.6°(1.0), 5.1°(0.12), 12.9°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-28698 | 3.26 3.26 34.34
90 90 120
Mo 0.333 0.667 0.095
Mo 0.667 0.333 0.282
W 0.333 0.667 0.470
W 0.667 0.333 0.657
Se 0.333 0.667 0.331
Se 0.333 0.667 0.706
Se 0.333 0.667 0.232
Se 0.333 0.667 0.607
S 0.667 0.333 0.050
S 0.667 0.333 0.424
S 0.667 0.333 0.140
S 0.667 0.333 0.515 |
Below is a description of a material. | The chemical formula is: TiPHO5.
The XRD pattern shows main peaks at: 18.7°(0.41), 25.3°(0.33), 26.7°(0.82), 27.0°(0.82), 27.9°(1.0), 28.7°(0.16), 35.2°(0.14), 39.4°(0.05), 41.0°(0.16), 44.4°(0.2), 45.3°(0.12), 48.3°(0.19), 52.0°(0.06), 55.0°(0.11), 55.7°(0.11), 57.6°(0.14), 58.5°(0.14), 59.5°(0.14), 60.2°(0.12), 74.0°... | JVASP-164725 | 5.10 7.53 5.14
112 86 111
Ti 0.000 0.500 -0.000
Ti 0.000 -0.000 -0.000
P 0.388 0.246 0.617
P 0.612 0.754 0.383
H -0.173 0.282 0.291
H 0.173 0.718 0.709
O 0.087 0.742 0.891
O 0.274 0.423 0.762
O 0.287 0.668 0.333
O 0.311 0.152 0.297
O 0.254 0.081 0.742
O 0.746 0.919 0.258
O 0.689 0.848 0.703
O 0.713 0.332 0.667
O 0.726 ... |
Below is a description of a material. | The chemical formula is: HeSe2.
The XRD pattern shows main peaks at: 18.1°(1.0), 25.7°(0.1), 26.2°(0.48), 30.4°(0.95), 32.5°(0.25), 38.6°(0.19), 42.1°(0.3), 43.3°(0.3), 45.9°(0.16), 46.6°(0.1), 48.0°(0.2), 49.6°(0.23), 51.8°(0.13), 55.8°(0.08), 59.2°(0.08), 63.3°(0.09), 66.0°(0.09), 68.0°(0.09), 68.6°(0.09), 70.5°(0.08... | JVASP-123667 | 4.44 3.79 5.03
90 102 115
He -0.000 0.334 0.167
Se 0.714 0.690 0.566
Se 0.286 -0.024 0.767 |
Below is a description of a material. | The chemical formula is: LiCaUF8.
The XRD pattern shows main peaks at: 16.3°(0.29), 18.8°(1.0), 24.0°(0.19), 29.1°(0.52), 29.9°(0.24), 34.1°(0.06), 38.0°(0.11), 39.2°(0.36), 41.1°(0.13), 45.0°(0.12), 46.0°(0.27), 48.1°(0.19), 49.0°(0.09), 52.0°(0.07), 56.4°(0.1), 58.0°(0.17), 58.5°(0.09), 62.2°(0.09), 64.5°(0.09), 79.1... | JVASP-51349 | 6.59 6.59 6.59
133 133 68
Li 0.000 0.000 0.000
Ca 0.250 0.750 0.500
U 0.500 0.500 0.000
F 0.203 0.752 0.104
F 0.649 0.099 0.896
F 0.901 0.797 0.550
F 0.248 0.351 0.450
F 0.139 0.180 0.631
F 0.550 0.508 0.369
F 0.492 0.861 0.042
F 0.820 0.450 0.958 |
Below is a description of a material. | The chemical formula is: BaSi2Br.
The XRD pattern shows main peaks at: 13.8°(0.66), 21.9°(0.09), 27.8°(0.4), 29.5°(0.25), 32.7°(1.0), 41.0°(0.19), 42.3°(0.28), 44.7°(0.14), 51.3°(0.27), 52.4°(0.25), 57.4°(0.05), 61.3°(0.14), 63.2°(0.05), 68.6°(0.12), 71.3°(0.21), 73.8°(0.1), 76.4°(0.06), 84.8°(0.14).
Generate atomic st... | JVASP-68973 | 7.10 7.10 7.10
144 144 50
Ba 0.250 0.750 0.500
Si 0.000 0.000 0.000
Si 0.500 0.500 0.000
Br 0.750 0.250 0.500 |
Below is a description of a material. | The chemical formula is: Pm3Sc.
The XRD pattern shows main peaks at: 7.8°(0.23), 15.6°(0.09), 23.5°(0.1), 30.1°(0.88), 31.5°(0.38), 33.1°(1.0), 37.7°(0.41), 49.9°(0.23), 51.5°(0.28), 60.8°(0.12), 61.6°(0.33), 62.6°(0.16), 65.5°(0.08), 83.6°(0.1), 85.2°(0.14), 87.8°(0.07).
Generate atomic structure description with latt... | JVASP-125796 | 3.55 3.55 11.36
90 90 119
Pm 0.667 0.333 0.762
Pm 0.000 0.000 0.500
Pm 0.333 0.667 0.238
Sc 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: MgNiF6.
The XRD pattern shows main peaks at: 20.2°(0.13), 22.3°(0.34), 25.2°(1.0), 34.7°(0.29), 42.8°(0.45), 45.5°(0.1), 51.8°(0.15), 56.7°(0.39), 60.2°(0.09), 65.5°(0.08), 67.2°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-8354 | 5.20 5.20 5.20
55 55 55
Mg 0.500 0.500 0.500
Ni 0.000 0.000 0.000
F 0.379 0.090 0.770
F 0.090 0.770 0.379
F 0.230 0.621 0.910
F 0.910 0.230 0.621
F 0.621 0.910 0.230
F 0.770 0.379 0.090 |
Below is a description of a material. | The chemical formula is: MgSb2O6.
The XRD pattern shows main peaks at: 23.7°(1.0), 32.8°(0.18), 33.7°(0.64), 34.7°(0.13), 40.8°(0.1), 42.4°(0.11), 48.4°(0.17), 53.3°(0.12), 54.5°(0.26), 55.9°(0.07), 59.1°(0.14), 59.5°(0.09), 60.7°(0.08), 61.5°(0.18), 70.8°(0.08), 74.7°(0.07), 80.9°(0.05).
Generate atomic structure desc... | JVASP-9225 | 5.17 5.46 7.55
90 90 89
Mg 0.469 0.576 0.750
Mg 0.969 0.924 0.250
Sb 0.495 0.009 0.999
Sb 0.995 0.491 0.001
Sb 0.995 0.491 0.499
Sb 0.495 0.009 0.501
O 0.349 0.036 0.250
O 0.849 0.464 0.750
O 0.326 0.320 0.932
O 0.826 0.180 0.068
O 0.208 0.783 0.569
O 0.208 0.783 0.931
O 0.708 0.717 0.069
O 0.613 0.942 0.750
O 0.826 0.... |
Below is a description of a material. | The chemical formula is: Li2V3CuO8.
The XRD pattern shows main peaks at: 17.8°(0.3), 18.8°(1.0), 35.0°(0.17), 36.1°(0.44), 36.6°(0.07), 38.1°(0.09), 43.7°(0.76), 46.3°(0.07), 62.1°(0.21), 64.8°(0.2), 81.5°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-42832 | 5.98 5.98 5.98
57 57 57
Li 0.124 0.124 0.124
Li 0.876 0.876 0.876
V -0.000 0.500 0.500
V 0.500 -0.000 0.500
V 0.500 0.500 -0.000
Cu 0.500 0.500 0.500
O 0.260 0.260 0.260
O 0.250 0.250 0.714
O 0.250 0.714 0.250
O 0.714 0.250 0.250
O 0.286 0.750 0.750
O 0.750 0.286 0.750
O 0.750 0.750 0.286
O 0.740 0.740 0.740 |
Below is a description of a material. | The chemical formula is: Mg3Fe3O8.
The XRD pattern shows main peaks at: 18.5°(0.14), 30.4°(0.52), 35.8°(1.0), 43.5°(0.13), 54.0°(0.17), 57.5°(0.33), 63.2°(0.47), 71.7°(0.06), 74.8°(0.08), 87.8°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-45869 | 5.89 5.89 5.89
59 59 59
Mg 0.625 0.125 0.625
Mg 0.625 0.625 0.125
Mg 0.125 0.625 0.625
Fe 0.994 0.994 0.994
Fe 0.256 0.256 0.256
Fe 0.625 0.625 0.625
O 0.855 0.393 0.393
O 0.383 0.383 0.383
O 0.393 0.855 0.393
O 0.393 0.393 0.855
O 0.857 0.395 0.857
O 0.857 0.857 0.395
O 0.395 0.857 0.857
O 0.867 0.867 0.867 |
Below is a description of a material. | The chemical formula is: Li2Mn4O5F3.
The XRD pattern shows main peaks at: 18.3°(0.24), 20.3°(0.46), 29.7°(0.57), 30.1°(0.7), 34.3°(0.61), 35.5°(0.19), 35.9°(1.0), 41.3°(0.12), 43.6°(0.17), 46.4°(0.11), 52.2°(0.11), 54.7°(0.24), 57.3°(0.39), 61.5°(0.35), 62.6°(0.16), 64.0°(0.15).
Generate atomic structure description wi... | JVASP-142083 | 6.02 6.02 5.82
61 61 59
Li 0.871 0.382 0.379
Li 0.382 0.871 0.379
Mn 0.390 0.390 0.861
Mn 0.982 0.982 0.019
Mn 0.758 0.758 0.724
Mn 0.375 0.375 0.377
O 0.598 0.163 0.618
O 0.600 0.600 0.649
O 0.582 0.153 0.134
O 0.153 0.582 0.134
O 0.163 0.598 0.618
F 0.119 0.119 0.604
F 0.145 0.145 0.111
F 0.632 0.632 0.142 |
Below is a description of a material. | The chemical formula is: ErCuSb2.
The XRD pattern shows main peaks at: 22.6°(0.07), 27.6°(0.13), 30.8°(0.11), 34.7°(1.0), 36.8°(0.11), 42.0°(0.4), 51.3°(0.14), 55.5°(0.09), 57.1°(0.11), 60.9°(0.12), 68.4°(0.12), 72.1°(0.26), 73.3°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates an... | JVASP-91687 | 4.30 4.30 9.77
90 90 90
Er 0.750 0.750 0.751
Er 0.250 0.250 0.249
Cu 0.250 0.750 0.500
Cu 0.750 0.250 0.500
Sb 0.250 0.750 0.000
Sb 0.750 0.250 0.000
Sb 0.750 0.750 0.335
Sb 0.250 0.250 0.665 |
Below is a description of a material. | The chemical formula is: ScGa5Co.
The XRD pattern shows main peaks at: 25.4°(0.19), 30.6°(0.09), 33.5°(0.27), 41.1°(1.0), 43.8°(0.61), 51.3°(0.06), 51.8°(0.12), 61.4°(0.18), 63.7°(0.17), 73.1°(0.06), 78.6°(0.29), 79.3°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-35430 | 4.13 4.13 6.64
90 90 90
Sc 0.000 0.000 0.000
Ga 0.000 0.500 0.303
Ga 0.000 0.500 0.697
Ga 0.500 0.000 0.303
Ga 0.500 0.000 0.697
Ga 0.500 0.500 0.000
Co 0.000 0.000 0.500 |
Below is a description of a material. | The chemical formula is: BeCd4Mo.
The XRD pattern shows main peaks at: 19.6°(0.58), 22.7°(0.09), 32.3°(0.09), 38.0°(1.0), 39.8°(0.73), 46.3°(0.2), 50.7°(0.13), 61.4°(0.34), 67.5°(0.28), 71.1°(0.1), 80.2°(0.11), 81.4°(0.24), 89.1°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-65273 | 5.55 5.55 5.55
60 60 60
Be 0.000 0.000 0.000
Cd 0.125 0.625 0.625
Cd 0.625 0.625 0.625
Cd 0.625 0.125 0.625
Cd 0.625 0.625 0.125
Mo 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: AlO.
The XRD pattern shows main peaks at: 16.5°(0.54), 33.5°(0.71), 36.9°(0.43), 47.0°(1.0), 47.5°(0.18), 50.2°(0.08), 51.2°(0.05), 58.9°(0.52), 62.1°(0.49), 68.7°(0.28), 72.0°(0.06), 78.6°(0.22), 80.6°(0.14), 88.9°(0.05).
Generate atomic structure description with lattice lengths, angles, coor... | JVASP-137975 | 2.73 2.73 5.36
90 90 90
Al 0.000 0.000 0.246
Al 0.500 0.500 0.754
O 0.000 0.000 0.852
O 0.500 0.500 0.148 |
Below is a description of a material. | The chemical formula is: Cu2AsAu.
The XRD pattern shows main peaks at: 24.5°(0.23), 28.4°(0.11), 40.6°(1.0), 48.0°(0.13), 58.7°(0.15), 64.6°(0.05), 73.8°(0.3), 87.8°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-75716 | 4.45 4.45 4.45
60 60 60
Cu 0.000 0.000 0.000
Cu 0.250 0.250 0.250
As 0.500 0.500 0.500
Au 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: TaBe2Pt2.
The XRD pattern shows main peaks at: 19.2°(0.16), 25.4°(0.23), 33.4°(0.07), 37.6°(0.1), 38.8°(1.0), 48.0°(0.25), 52.2°(0.09), 55.1°(0.08), 63.4°(0.2), 70.4°(0.16), 83.3°(0.26).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-179192 | 5.35 5.35 5.35
138 138 60
Ta 0.000 0.000 0.000
Be 0.608 0.608 -0.000
Be 0.392 0.392 -0.000
Pt 0.750 0.250 0.500
Pt 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: Be2AsCl.
The XRD pattern shows main peaks at: 24.4°(0.92), 28.2°(0.14), 40.3°(1.0), 47.7°(0.44), 58.3°(0.16), 64.1°(0.17), 66.0°(0.06), 73.3°(0.32), 78.5°(0.13), 87.1°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-75680 | 4.47 4.47 4.47
60 60 60
Be 0.000 0.000 0.000
Be 0.250 0.250 0.250
As 0.500 0.500 0.500
Cl 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: NaTiVS4.
The XRD pattern shows main peaks at: 12.9°(1.0), 31.3°(0.3), 37.2°(0.64), 43.3°(0.26), 46.5°(0.07), 53.3°(0.15), 53.7°(0.22), 54.1°(0.23), 67.0°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-104713 | 7.16 7.16 5.90
82 82 27
Na 0.244 0.244 0.899
Ti 0.494 0.494 0.492
V 0.992 0.992 0.017
S 0.892 0.892 0.705
S 0.388 0.388 0.205
S 0.592 0.592 0.810
S 0.099 0.099 0.305 |
Below is a description of a material. | The chemical formula is: VGeRu2.
The XRD pattern shows main peaks at: 29.7°(0.08), 42.4°(1.0), 61.6°(0.16), 77.6°(0.32).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-79972 | 4.26 4.26 4.26
59 60 60
V 0.750 0.750 0.750
Ge 0.250 0.250 0.250
Ru 0.500 0.500 0.500
Ru -0.000 0.000 -0.000 |
Below is a description of a material. | The chemical formula is: TiVMo2.
The XRD pattern shows main peaks at: 28.7°(0.16), 41.1°(1.0), 59.5°(0.16), 74.8°(0.34), 89.1°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-186948 | 4.40 4.40 4.40
60 60 60
Mo 0.250 0.250 0.250
Mo 0.750 0.750 0.750
Ti 0.500 0.500 0.500
V -0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Pr2USe4.
The XRD pattern shows main peaks at: 24.5°(0.41), 31.7°(1.0), 37.7°(0.67), 45.5°(0.23).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-169235 | 7.72 7.72 7.72
109 109 109
Pr 0.250 0.622 0.372
Pr 0.750 0.878 0.128
Pr 0.628 0.378 0.250
Pr 0.872 0.122 0.750
U 0.125 0.750 0.875
U 0.375 0.250 0.625
Se 0.006 0.852 0.505
Se 0.005 0.352 0.506
Se 0.154 0.148 0.153
Se 0.495 0.002 0.347
Se 0.346 0.498 0.994
Se 0.653 0.648 0.654
Se 0.494 0.998 0.846
Se 0.847 0.502 0.995 |
Below is a description of a material. | The chemical formula is: PrIn5Rh.
The XRD pattern shows main peaks at: 18.9°(0.08), 29.3°(0.32), 30.1°(0.06), 35.2°(0.17), 35.8°(1.0), 38.2°(0.53), 44.8°(0.06), 52.9°(0.19), 55.2°(0.21), 62.6°(0.08), 63.7°(0.07), 67.5°(0.34), 81.9°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates a... | JVASP-35460 | 4.71 4.71 7.65
90 90 90
Pr 0.000 0.000 0.000
In 0.000 0.500 0.305
In 0.000 0.500 0.695
In 0.500 0.000 0.305
In 0.500 0.000 0.695
In 0.500 0.500 0.000
Rh 0.000 0.000 0.500 |
Below is a description of a material. | The chemical formula is: YbPt2.
The XRD pattern shows main peaks at: 20.2°(0.09), 33.2°(0.24), 39.2°(1.0), 41.0°(0.46), 47.7°(0.07), 63.4°(0.31), 69.7°(0.29).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-14700 | 5.39 5.39 5.39
60 60 60
Yb 0.125 0.125 0.125
Yb 0.875 0.875 0.875
Pt 0.000 0.500 0.500
Pt 0.500 0.000 0.500
Pt 0.500 0.500 0.000
Pt 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: KNaV2O6.
The XRD pattern shows main peaks at: 17.2°(0.22), 17.7°(0.13), 23.7°(0.35), 24.8°(0.29), 27.0°(1.0), 27.5°(0.32), 28.3°(0.34), 31.3°(0.21), 31.7°(0.93), 34.9°(0.16), 39.4°(0.27), 41.1°(0.14), 44.9°(0.11), 50.7°(0.15), 51.2°(0.14), 54.7°(0.14), 58.3°(0.18), 59.1°(0.13), 64.5°(0.1), 64.9... | JVASP-175160 | 7.30 7.30 5.84
79 79 86
K 0.805 0.195 0.250
K 0.195 0.805 0.750
Na 0.406 0.594 0.250
Na 0.594 0.406 0.750
V 0.873 0.700 0.278
V 0.300 0.127 0.222
V 0.127 0.300 0.722
V 0.700 0.873 0.778
O 0.712 0.538 0.351
O 0.462 0.288 0.149
O 0.288 0.462 0.649
O 0.538 0.712 0.851
O 0.135 0.169 0.482
O 0.831 0.865 0.018
O 0.865 0.831 ... |
Below is a description of a material. | The chemical formula is: YC.
The XRD pattern shows main peaks at: 28.4°(1.0), 32.9°(0.39), 47.2°(0.43), 55.9°(0.41), 58.7°(0.1), 68.9°(0.07), 76.1°(0.18), 78.5°(0.13), 87.7°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-78352 | 3.85 3.85 3.85
60 60 60
Y 0.000 0.000 0.000
C 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: RbClO3.
The XRD pattern shows main peaks at: 19.8°(0.21), 25.5°(0.44), 26.5°(0.14), 27.5°(0.35), 29.7°(0.51), 32.6°(1.0), 36.9°(0.07), 40.2°(0.2), 41.1°(0.33), 42.1°(0.12), 43.0°(0.14), 43.4°(0.21), 50.2°(0.13), 52.4°(0.11), 53.5°(0.08), 54.5°(0.16), 59.9°(0.07), 63.3°(0.07), 68.3°(0.14), 70.2°... | JVASP-136396 | 4.69 4.46 4.69
74 79 74
Rb 0.263 0.232 0.263
Cl 0.805 -0.197 0.805
O 0.649 0.568 0.431
O 0.976 0.954 0.976
O 0.431 0.568 0.649 |
Below is a description of a material. | The chemical formula is: NiAs2.
The XRD pattern shows main peaks at: 30.7°(0.31), 34.5°(1.0), 37.9°(0.82), 44.0°(0.2), 52.1°(0.81), 54.6°(0.07), 57.0°(0.26), 59.4°(0.47), 64.0°(0.06), 72.6°(0.07), 74.7°(0.22), 76.8°(0.11), 80.9°(0.06), 87.0°(0.24).
Generate atomic structure description with lattice lengths, angles, coo... | JVASP-59734 | 5.82 5.82 5.82
90 90 90
Ni 0.000 0.000 0.000
Ni 0.500 0.000 0.500
Ni 0.500 0.500 0.000
Ni 0.000 0.500 0.500
As 0.377 0.377 0.377
As 0.123 0.623 0.877
As 0.877 0.123 0.623
As 0.623 0.877 0.123
As 0.623 0.623 0.623
As 0.877 0.377 0.123
As 0.123 0.877 0.377
As 0.377 0.123 0.877 |
Below is a description of a material. | The chemical formula is: Rb3EuF6.
The XRD pattern shows main peaks at: 15.5°(0.26), 18.2°(0.05), 25.2°(1.0), 25.6°(0.96), 36.0°(0.27), 37.0°(0.21), 44.6°(0.58), 45.3°(0.37), 51.8°(0.14), 52.5°(0.19), 58.5°(0.22), 65.3°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types... | JVASP-100621 | 6.97 6.97 6.97
119 119 91
Rb 0.750 0.250 0.500
Rb 0.250 0.750 0.500
Rb 0.500 0.500 0.000
Eu 0.000 0.000 0.000
F -0.000 0.312 0.312
F 0.000 0.688 0.688
F 0.312 -0.000 0.312
F 0.688 0.000 0.688
F 0.232 0.232 -0.000
F 0.768 0.768 0.000 |
Below is a description of a material. | The chemical formula is: CaSiBr.
The XRD pattern shows main peaks at: 17.3°(0.88), 18.0°(0.45), 25.1°(1.0), 30.6°(0.56), 31.0°(0.22), 31.7°(0.24), 34.9°(0.26), 36.2°(0.33), 36.5°(0.32), 39.8°(0.2), 40.8°(0.21), 43.5°(0.3), 44.5°(0.4), 44.8°(0.36), 51.4°(0.13), 53.9°(0.11), 54.6°(0.11), 63.7°(0.09), 64.5°(0.13), 72.0°(0... | JVASP-117765 | 5.64 5.89 3.55
90 90 60
Ca 0.433 -0.029 0.000
Si -0.092 0.452 0.000
Br -0.015 -0.137 0.000 |
Below is a description of a material. | The chemical formula is: Dy2NiAs2.
The XRD pattern shows main peaks at: 25.9°(0.26), 31.5°(1.0), 35.8°(0.54), 40.7°(0.25), 44.2°(0.67), 55.3°(0.19), 58.1°(0.14), 61.6°(0.08), 73.3°(0.17), 75.8°(0.12), 81.3°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-99880 | 4.10 4.10 14.20
90 90 120
Dy 0.667 0.333 0.620
Dy 0.333 0.667 0.120
Dy 0.667 0.333 0.354
Dy 0.333 0.667 0.854
Ni 0.000 0.000 0.987
Ni 0.000 0.000 0.487
As 0.667 0.333 0.987
As 0.333 0.667 0.487
As 0.000 0.000 0.737
As 0.000 0.000 0.237 |
Below is a description of a material. | The chemical formula is: NbC.
The XRD pattern shows main peaks at: 32.0°(0.31), 32.7°(1.0), 46.4°(0.92), 58.3°(0.23), 66.9°(0.05), 68.1°(0.22), 68.5°(0.12), 76.5°(0.16), 77.6°(0.19).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-37142 | 3.16 3.16 5.59
90 90 120
Nb 0.000 0.000 0.500
Nb 0.000 0.000 0.000
C 0.333 0.667 0.250
C 0.667 0.333 0.750 |
Below is a description of a material. | The chemical formula is: Tm2NiAg.
The XRD pattern shows main peaks at: 25.9°(0.13), 37.0°(1.0), 53.3°(0.17), 60.1°(0.05), 66.6°(0.38), 78.7°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-161225 | 4.86 4.86 4.86
60 60 60
Tm 0.000 0.000 0.000
Tm 0.500 0.500 0.500
Ni 0.750 0.750 0.750
Ag 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: LiBe2Ni.
The XRD pattern shows main peaks at: 15.1°(1.0), 30.5°(0.17), 34.3°(0.26), 37.7°(0.41), 46.5°(0.37), 49.3°(0.17), 51.9°(0.16), 59.1°(0.19), 70.1°(0.07), 74.4°(0.05), 84.5°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-65132 | 2.61 2.61 5.86
90 90 90
Li 0.000 0.000 0.500
Be 0.000 0.000 0.001
Be 0.500 0.500 0.203
Ni 0.500 0.500 0.796 |
Below is a description of a material. | The chemical formula is: ZnBi4O8.
The XRD pattern shows main peaks at: 10.1°(0.23), 19.6°(0.56), 20.3°(0.81), 27.5°(0.57), 28.1°(1.0), 30.3°(0.54), 30.7°(0.76), 32.0°(0.48), 32.5°(0.63), 33.7°(0.16), 40.8°(0.24), 41.3°(0.36), 44.6°(0.21), 46.1°(0.17), 48.5°(0.27), 49.5°(0.19), 50.2°(0.19), 52.5°(0.18), 54.7°(0.35), 55.... | JVASP-9284 | 3.51 7.07 9.31
69 85 77
Zn 0.583 0.809 0.809
Bi 0.426 0.732 0.486
Bi -0.010 0.300 0.854
Bi 0.084 0.641 0.120
Bi 0.723 0.189 0.480
O 0.168 0.387 0.327
O 0.510 0.767 0.201
O 0.546 0.262 0.721
O 0.903 0.615 0.697
O 0.856 -0.062 0.379
O 0.027 0.878 0.902
O 0.310 0.971 0.601
O 0.651 0.521 0.013 |
Below is a description of a material. | The chemical formula is: K2NpO4.
The XRD pattern shows main peaks at: 13.4°(0.84), 21.7°(1.0), 26.9°(0.1), 28.9°(0.84), 29.3°(0.54), 32.4°(0.21), 39.9°(0.25), 40.8°(0.15), 42.0°(0.3), 44.2°(0.19), 47.7°(0.25), 51.1°(0.19), 51.8°(0.38), 59.3°(0.17), 60.0°(0.18), 60.9°(0.09), 68.9°(0.11), 75.9°(0.09), 83.4°(0.1), 83.9°(0... | JVASP-35374 | 4.31 4.31 7.30
107 107 90
K 0.348 0.348 0.696
K 0.652 0.652 0.304
Np 0.000 0.000 0.000
O 0.146 0.146 0.293
O 0.854 0.854 0.707
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: ArEr3.
The XRD pattern shows main peaks at: 6.6°(1.0), 26.5°(0.11), 30.7°(0.32), 32.8°(0.51), 33.4°(0.11), 36.1°(0.25), 40.4°(0.17), 53.1°(0.13), 60.3°(0.07), 64.2°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-123181 | 3.45 3.45 13.43
90 90 120
Ar 0.000 0.000 0.000
Er 0.333 0.667 0.295
Er 0.000 0.000 0.500
Er 0.667 0.333 0.705 |
Below is a description of a material. | The chemical formula is: U2InPt2.
The XRD pattern shows main peaks at: 16.0°(0.11), 33.6°(0.14), 35.6°(1.0), 36.4°(0.36), 46.5°(0.07), 49.5°(0.09), 50.0°(0.12), 54.6°(0.13), 63.4°(0.15), 66.2°(0.05), 69.8°(0.17), 73.0°(0.06), 84.3°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates a... | JVASP-150596 | 7.81 7.81 3.65
90 90 90
U 0.168 0.668 0.500
U 0.832 0.332 0.500
U 0.332 0.168 0.500
U 0.668 0.832 0.500
In 0.000 0.000 0.000
In 0.500 0.500 0.000
Pt 0.634 0.134 0.000
Pt 0.366 0.866 0.000
Pt 0.866 0.634 0.000
Pt 0.134 0.366 0.000 |
Below is a description of a material. | The chemical formula is: HfBeBi.
The XRD pattern shows main peaks at: 16.3°(0.15), 27.8°(0.69), 33.0°(0.23), 36.5°(1.0), 37.9°(0.47), 41.5°(0.06), 50.4°(0.07), 51.1°(0.28), 54.7°(0.17), 62.5°(0.16), 64.8°(0.12), 65.4°(0.14), 66.3°(0.17), 67.6°(0.34), 77.6°(0.08), 81.1°(0.06).
Generate atomic structure description with ... | JVASP-67420 | 5.93 5.93 5.93
147 147 47
Hf 0.637 0.637 0.000
Be 0.023 0.023 0.000
Bi 0.340 0.340 0.000 |
Below is a description of a material. | The chemical formula is: Pm2CuPd.
The XRD pattern shows main peaks at: 24.9°(0.07), 35.6°(1.0), 51.2°(0.18), 63.9°(0.36), 75.3°(0.12), 86.1°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-100218 | 5.05 5.05 5.05
60 59 60
Pm 0.250 0.250 0.250
Pm 0.750 0.750 0.750
Cu 0.500 0.500 0.500
Pd 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: CoSbO4.
The XRD pattern shows main peaks at: 19.1°(0.06), 24.7°(1.0), 37.0°(0.18), 37.9°(0.22), 38.7°(0.16), 46.5°(0.23), 53.3°(0.21), 54.6°(0.14), 60.8°(0.09), 62.0°(0.14), 67.8°(0.07), 69.5°(0.08), 74.5°(0.1), 80.4°(0.06), 80.9°(0.06).
Generate atomic structure description with lattice length... | JVASP-43066 | 5.41 5.41 5.41
137 137 61
Co 0.000 0.000 0.000
Sb 0.750 0.250 0.500
O 0.535 0.035 0.500
O 0.204 0.204 -0.000
O 0.965 0.465 0.500
O 0.796 0.796 0.000 |
Below is a description of a material. | The chemical formula is: PrRe4Si2.
The XRD pattern shows main peaks at: 12.5°(0.72), 33.3°(0.06), 36.0°(1.0), 38.1°(0.08), 43.3°(0.19), 43.8°(0.21), 44.4°(0.35), 45.3°(0.06), 55.1°(0.13), 63.3°(0.13), 74.7°(0.12), 75.4°(0.12), 80.3°(0.06), 80.9°(0.06), 82.5°(0.05).
Generate atomic structure description with lattice len... | JVASP-35476 | 4.13 4.17 7.39
106 90 90
Pr 0.000 0.000 0.000
Re 0.500 0.189 0.378
Re 0.500 0.811 0.622
Re 0.000 0.304 0.607
Re 0.000 0.696 0.393
Si 0.500 0.411 0.822
Si 0.500 0.589 0.178 |
Below is a description of a material. | The chemical formula is: ZrNiSn.
The XRD pattern shows main peaks at: 23.9°(0.38), 27.7°(0.13), 39.5°(1.0), 46.7°(0.19), 57.1°(0.17), 71.7°(0.31), 85.1°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-78660 | 4.56 4.56 4.56
60 60 60
Zr 0.250 0.250 0.250
Ni 0.500 0.500 0.500
Sn 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: RbSF.
The XRD pattern shows main peaks at: 12.5°(0.07), 15.0°(1.0), 19.6°(0.11), 21.3°(0.45), 24.8°(0.06), 29.3°(0.16), 30.3°(0.17), 33.1°(0.13), 34.0°(0.26), 39.7°(0.07), 41.1°(0.1), 42.7°(0.12), 43.4°(0.06), 44.0°(0.08), 48.9°(0.08), 51.9°(0.1), 55.7°(0.05), 56.3°(0.05), 63.5°(0.06), 69.9°(0.... | JVASP-138931 | 5.89 5.89 7.11
90 90 90
Rb 0.000 0.000 0.343
S 0.000 0.000 0.740
F 0.000 0.000 -0.016 |
Below is a description of a material. | The chemical formula is: YCoP.
The XRD pattern shows main peaks at: 26.9°(0.1), 29.2°(0.06), 35.2°(1.0), 45.6°(0.14), 47.5°(0.33), 60.4°(0.18), 67.9°(0.24), 80.2°(0.15), 88.4°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-187898 | 3.83 3.83 7.96
90 90 120
Y -0.000 -0.000 0.500
Y -0.000 -0.000 -0.000
P 0.333 0.667 0.250
P 0.667 0.333 0.750
Co 0.667 0.333 0.250
Co 0.333 0.667 0.750 |
Below is a description of a material. | The chemical formula is: PrGaPt.
The XRD pattern shows main peaks at: 25.9°(0.42), 32.7°(0.34), 33.7°(1.0), 36.5°(0.06), 39.1°(0.19), 39.9°(0.76), 44.1°(0.16), 47.4°(0.09), 48.2°(0.06), 50.5°(0.06), 53.2°(0.19), 57.1°(0.12), 60.4°(0.05), 61.0°(0.07), 64.7°(0.15), 66.2°(0.1), 68.5°(0.14), 72.8°(0.11), 74.8°(0.05).
Gener... | JVASP-145086 | 4.52 7.23 7.85
90 90 90
Pr 0.250 0.017 0.698
Pr 0.250 0.517 0.802
Pr 0.750 0.983 0.302
Pr 0.750 0.483 0.198
Ga 0.250 0.171 0.077
Ga 0.250 0.671 0.423
Ga 0.750 0.829 0.923
Ga 0.750 0.329 0.577
Pt 0.250 0.284 0.404
Pt 0.250 0.784 0.096
Pt 0.750 0.716 0.596
Pt 0.750 0.216 0.904 |
Below is a description of a material. | The chemical formula is: RbScO2.
The XRD pattern shows main peaks at: 13.8°(0.08), 27.9°(0.46), 32.4°(0.51), 34.7°(0.79), 38.2°(1.0), 47.9°(0.18), 56.4°(0.35), 64.0°(0.25), 66.6°(0.07), 67.9°(0.1), 70.1°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-2616 | 3.26 3.26 12.81
90 90 120
Rb 0.333 0.667 0.250
Rb 0.667 0.333 0.750
Sc 0.000 0.000 0.000
Sc 0.000 0.000 0.500
O 0.333 0.667 0.584
O 0.667 0.333 0.084
O 0.333 0.667 0.916
O 0.667 0.333 0.416 |
Below is a description of a material. | The chemical formula is: LuMg2Mn3S8.
The XRD pattern shows main peaks at: 14.7°(1.0), 17.0°(0.23), 24.2°(0.22), 28.4°(0.82), 34.4°(0.93), 45.2°(0.34), 49.2°(0.41), 49.6°(0.44), 61.8°(0.14), 72.5°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-112731 | 7.41 7.41 7.41
59 59 59
Lu 0.500 0.500 0.500
Mg 0.875 0.875 0.875
Mg 0.125 0.125 0.125
Mn 0.500 0.500 0.000
Mn 0.000 0.500 0.500
Mn 0.500 0.000 0.500
S 0.741 0.741 0.741
S 0.248 0.248 0.720
S 0.248 0.720 0.248
S 0.720 0.248 0.248
S 0.752 0.280 0.752
S 0.280 0.752 0.752
S 0.259 0.259 0.259
S 0.752 0.752 0.280 |
Below is a description of a material. | The chemical formula is: NdCrGe3.
The XRD pattern shows main peaks at: 29.0°(0.21), 31.2°(0.28), 33.6°(0.1), 35.5°(0.2), 37.2°(1.0), 46.5°(0.3), 47.9°(0.12), 54.0°(0.06), 59.5°(0.25), 60.1°(0.16), 65.0°(0.06), 69.3°(0.12), 71.8°(0.06), 72.9°(0.1), 86.5°(0.08), 89.7°(0.06).
Generate atomic structure description with lat... | JVASP-150656 | 6.15 6.15 5.74
90 90 119
Nd 0.333 0.667 0.750
Nd 0.667 0.333 0.250
Cr 0.000 0.000 0.000
Cr 0.000 0.000 0.500
Ge 0.192 0.384 0.250
Ge 0.616 0.808 0.250
Ge 0.192 0.808 0.250
Ge 0.808 0.616 0.750
Ge 0.384 0.192 0.750
Ge 0.808 0.192 0.750 |
Below is a description of a material. | The chemical formula is: Sb5Os.
The XRD pattern shows main peaks at: 7.4°(0.2), 14.9°(0.12), 30.1°(1.0), 34.6°(0.06), 40.1°(0.43), 45.9°(0.32), 55.8°(0.18), 62.5°(0.12), 75.0°(0.14), 80.9°(0.11), 84.9°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-124679 | 3.96 3.96 11.93
90 90 120
Sb 0.667 0.333 0.130
Sb 0.667 0.333 0.582
Sb 0.333 0.667 0.370
Sb 0.333 0.667 0.918
Sb 0.000 0.000 0.750
Os 0.000 0.000 0.250 |
Below is a description of a material. | The chemical formula is: NClO3.
The XRD pattern shows main peaks at: 20.4°(1.0), 28.5°(0.6), 29.6°(0.24), 34.3°(0.24), 36.2°(0.12), 41.5°(0.31), 49.7°(0.08), 61.3°(0.08), 70.0°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-92741 | 4.36 4.36 4.36
87 87 87
N 0.064 0.064 0.064
Cl 0.494 0.494 0.494
O 0.175 0.581 0.581
O 0.581 0.175 0.581
O 0.581 0.581 0.175 |
Below is a description of a material. | The chemical formula is: HfMgRh2.
The XRD pattern shows main peaks at: 24.3°(0.32), 40.1°(1.0), 47.5°(0.16), 58.1°(0.17), 63.9°(0.07), 72.9°(0.34), 78.2°(0.05), 86.7°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-41280 | 4.49 4.49 4.49
60 60 60
Hf 0.250 0.250 0.250
Mg 0.750 0.750 0.750
Rh 0.000 0.000 0.000
Rh 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: KBe2P.
The XRD pattern shows main peaks at: 12.6°(0.41), 25.4°(0.21), 31.1°(1.0), 38.4°(0.68), 40.5°(0.41), 42.6°(0.07), 48.4°(0.12), 57.1°(0.21), 58.5°(0.12), 60.5°(0.18), 67.8°(0.17), 72.2°(0.22), 89.1°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-74306 | 3.15 3.15 7.01
90 90 90
K 0.000 0.000 0.514
Be 0.000 0.000 0.988
Be 0.500 0.500 0.144
P 0.500 0.500 0.854 |
Below is a description of a material. | The chemical formula is: AlPN3.
The XRD pattern shows main peaks at: 20.8°(1.0), 36.2°(0.31), 36.7°(0.1), 38.1°(0.47), 53.3°(0.07), 53.8°(0.19), 56.8°(0.06), 66.4°(0.19), 67.0°(0.08), 69.9°(0.06), 77.5°(0.07), 89.5°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-121181 | 2.84 4.97 4.97
59 90 90
Al 0.000 0.586 0.586
P 0.500 0.916 0.916
N 0.500 0.773 0.289
N 0.000 0.808 0.808
N 0.500 0.289 0.773 |
Below is a description of a material. | The chemical formula is: TiNbGaO6.
The XRD pattern shows main peaks at: 21.4°(0.11), 27.0°(1.0), 35.3°(0.61), 38.5°(0.14), 40.4°(0.09), 53.3°(0.59), 55.6°(0.17), 62.9°(0.12), 67.6°(0.2), 80.6°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-119130 | 4.67 4.67 9.08
90 90 90
Ti 0.500 0.500 0.500
Ti 0.000 0.000 1.000
Nb 0.500 0.500 0.833
Nb 0.000 0.000 0.333
Ga 0.500 0.500 0.168
Ga 0.000 0.000 0.668
O 0.700 0.700 0.000
O 0.304 0.304 0.664
O 0.306 0.306 0.335
O 0.300 0.300 0.000
O 0.806 0.194 0.835
O 0.194 0.806 0.835
O 0.804 0.196 0.164
O 0.694 0.694 0.335
O 0.200 0.... |
Below is a description of a material. | The chemical formula is: BeSiBr.
The XRD pattern shows main peaks at: 17.1°(0.21), 27.7°(1.0), 34.6°(0.22), 37.2°(0.3), 37.6°(0.34), 41.5°(0.09), 51.7°(0.21), 52.0°(0.26), 54.2°(0.12), 61.9°(0.19), 65.9°(0.13), 67.5°(0.11), 78.1°(0.13), 85.1°(0.06).
Generate atomic structure description with lattice lengths, angles, co... | JVASP-67647 | 5.71 5.71 5.71
145 145 49
Be 0.111 0.111 0.000
Si 0.564 0.564 0.000
Br 0.325 0.325 0.000 |
Below is a description of a material. | The chemical formula is: Pm2ZnOs.
The XRD pattern shows main peaks at: 21.6°(0.09), 35.7°(1.0), 42.1°(0.05), 51.4°(0.18), 64.2°(0.33), 75.6°(0.1), 86.6°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-37779 | 5.03 5.03 5.03
60 60 60
Pm 0.000 0.000 0.000
Pm 0.500 0.500 0.500
Zn 0.750 0.750 0.750
Os 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: Li2VF5.
The XRD pattern shows main peaks at: 14.7°(1.0), 24.7°(0.91), 26.8°(0.45), 29.7°(0.26), 30.8°(0.38), 33.6°(0.22), 39.8°(0.19), 40.6°(0.5), 41.8°(0.5), 45.2°(0.07), 50.6°(0.17), 53.8°(0.25), 55.5°(0.33), 63.7°(0.16), 65.6°(0.27), 86.5°(0.05).
Generate atomic structure description with la... | JVASP-147415 | 6.63 6.63 5.46
101 101 43
Li 0.810 0.279 0.044
Li 0.721 0.190 0.456
Li 0.279 0.810 0.544
Li 0.190 0.721 -0.044
V 0.000 0.500 0.500
V 0.500 0.000 0.000
F 0.045 -0.045 0.250
F 0.692 0.518 0.450
F 0.869 0.722 0.834
F 0.722 0.869 0.334
F 0.518 0.692 -0.050
F 0.482 0.308 0.050
F 0.278 0.131 0.666
F -0.045 0.045 0.750
F 0.13... |
Below is a description of a material. | The chemical formula is: BeCdSe2.
The XRD pattern shows main peaks at: 13.9°(0.5), 24.5°(0.41), 28.0°(0.49), 28.3°(0.59), 35.0°(1.0), 37.5°(0.66), 45.4°(0.45), 49.7°(0.53), 50.3°(0.36), 56.7°(0.08), 58.5°(0.26), 63.8°(0.13), 64.4°(0.28), 73.4°(0.31), 73.8°(0.12), 79.7°(0.09), 80.7°(0.09), 84.4°(0.16), 84.9°(0.11), 85.3... | JVASP-70913 | 3.63 3.63 6.38
90 90 90
Be 0.000 0.000 0.311
Cd 0.500 0.500 0.815
Se 0.000 0.000 0.971
Se 0.500 0.500 0.403 |
Below is a description of a material. | The chemical formula is: TiP2O7.
The XRD pattern shows main peaks at: 13.7°(0.32), 14.3°(0.1), 15.6°(1.0), 19.2°(0.14), 20.5°(0.28), 21.2°(0.1), 28.0°(0.46), 28.9°(0.34), 30.3°(0.43), 32.1°(0.3), 39.1°(0.22), 43.1°(0.12), 50.9°(0.09), 57.1°(0.1), 59.9°(0.05).
Generate atomic structure description with lattice lengths, ... | JVASP-21363 | 6.38 6.48 6.96
93 117 90
Ti 0.096 0.342 0.202
Ti 0.904 0.658 0.798
P 0.321 0.630 0.659
P 0.679 0.370 0.341
P 0.224 0.857 0.284
P 0.776 0.143 0.716
O 0.942 0.331 0.875
O 0.082 0.058 0.220
O 0.229 0.438 0.498
O 0.785 0.183 0.492
O 0.590 0.650 0.777
O 0.058 0.669 0.125
O 0.918 0.942 0.780
O 0.215 0.817 0.508
O 0.781 0.363... |
Below is a description of a material. | The chemical formula is: TmNi2.
The XRD pattern shows main peaks at: 21.8°(0.15), 35.9°(0.63), 42.4°(1.0), 44.4°(0.14), 64.6°(0.24), 69.0°(0.29), 76.2°(0.22), 87.2°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-158577 | 5.00 5.00 5.00
120 90 120
Tm 0.000 0.000 0.000
Tm 0.750 0.500 0.250
Ni 0.375 0.750 0.125
Ni 0.875 0.250 0.625
Ni 0.375 0.750 0.625
Ni 0.375 0.250 0.625 |
Below is a description of a material. | The chemical formula is: Hf3Sb2.
The XRD pattern shows main peaks at: 9.5°(0.44), 19.1°(0.09), 30.8°(0.22), 34.0°(0.7), 35.4°(0.09), 37.8°(1.0), 39.3°(0.06), 48.8°(0.23), 58.8°(0.07), 63.4°(0.42), 71.6°(0.08), 81.6°(0.11), 83.9°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and a... | JVASP-186622 | 3.73 3.73 9.27
90 90 90
Hf 0.500 0.500 0.317
Hf -0.000 -0.000 0.500
Hf 0.500 0.500 0.683
Sb 0.000 0.000 0.826
Sb -0.000 -0.000 0.174 |
Below is a description of a material. | The chemical formula is: NiH.
The XRD pattern shows main peaks at: 42.0°(1.0), 48.9°(0.51), 71.7°(0.26), 86.7°(0.33).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-18409 | 2.63 2.63 2.63
60 60 60
Ni 0.000 0.000 0.000
H 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: YbPd3.
The XRD pattern shows main peaks at: 38.4°(1.0), 44.7°(0.47), 65.0°(0.32), 78.1°(0.38), 82.3°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-14533 | 4.06 4.06 4.06
90 90 90
Yb 0.000 0.000 0.000
Pd 0.000 0.500 0.500
Pd 0.500 0.500 0.000
Pd 0.500 0.000 0.500 |
Below is a description of a material. | The chemical formula is: HfRu2.
The XRD pattern shows main peaks at: 23.6°(0.12), 38.2°(1.0), 41.5°(0.79), 57.7°(0.31), 61.3°(0.08), 73.5°(0.31), 75.8°(0.13), 76.8°(0.23).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-186618 | 4.35 5.30 3.03
55 90 65
Hf 0.853 0.194 0.869
Ru 0.520 0.861 0.702
Ru 0.186 0.527 0.035 |
Below is a description of a material. | The chemical formula is: CaAs2O6.
The XRD pattern shows main peaks at: 17.4°(0.6), 20.9°(0.15), 27.3°(1.0), 35.3°(0.07), 36.6°(0.31), 40.8°(0.33), 46.2°(0.18), 51.7°(0.57), 58.6°(0.09), 60.3°(0.19), 65.8°(0.17), 67.1°(0.1), 68.7°(0.07), 71.1°(0.08), 76.9°(0.07), 86.1°(0.09), 88.3°(0.11).
Generate atomic structure descr... | JVASP-86460 | 4.92 4.92 5.09
90 90 120
Ca 0.000 0.000 0.000
As 0.333 0.667 0.500
As 0.667 0.333 0.500
O 0.377 0.377 0.706
O 0.623 -0.000 0.706
O 0.000 0.623 0.706
O 0.377 0.000 0.294
O -0.000 0.377 0.294
O 0.623 0.623 0.294 |
Below is a description of a material. | The chemical formula is: Dy4Ga12Fe.
The XRD pattern shows main peaks at: 20.8°(0.11), 29.5°(0.26), 36.4°(1.0), 42.2°(0.62), 47.5°(0.08), 52.4°(0.08), 61.2°(0.35), 69.4°(0.06), 73.4°(0.34).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-159587 | 7.41 7.41 7.41
109 109 109
Dy -0.000 0.000 0.500
Dy 0.500 0.500 0.500
Dy 0.500 -0.000 -0.000
Dy -0.000 0.500 0.000
Ga 0.282 -0.000 0.282
Ga 0.718 0.000 0.718
Ga -0.000 0.282 0.282
Ga -0.000 0.718 0.718
Ga 0.250 0.750 0.500
Ga 0.250 0.500 0.750
Ga 0.282 0.282 -0.000
Ga 0.750 0.500 0.250
Ga 0.500 0.750 0.250
Ga 0.500 0.2... |
Below is a description of a material. | The chemical formula is: KLi2Be.
The XRD pattern shows main peaks at: 19.0°(0.3), 21.6°(1.0), 27.5°(0.24), 33.7°(0.72), 34.9°(0.24), 38.6°(0.13), 39.3°(0.24), 44.0°(0.12), 45.3°(0.23), 48.0°(0.08), 53.0°(0.06), 53.5°(0.12), 56.3°(0.14), 56.8°(0.07), 66.7°(0.09), 67.7°(0.17), 70.8°(0.07).
Generate atomic structure descr... | JVASP-68616 | 5.68 5.68 5.68
132 132 69
K 0.750 0.250 0.500
Li 0.000 0.000 0.000
Li 0.250 0.750 0.500
Be 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: Sr3Ge2N2.
The XRD pattern shows main peaks at: 19.7°(0.13), 26.8°(0.09), 28.7°(0.39), 29.7°(1.0), 30.0°(0.47), 30.5°(0.37), 32.6°(0.72), 34.9°(0.14), 35.5°(0.64), 37.8°(0.2), 41.1°(0.27), 42.0°(0.12), 44.3°(0.15), 46.7°(0.35), 52.9°(0.07), 55.0°(0.07), 56.5°(0.24), 57.1°(0.16), 60.3°(0.09), 64.... | JVASP-108284 | 3.89 9.04 9.65
67 90 90
Sr 0.250 0.880 0.352
Sr 0.750 0.120 0.648
Sr 0.250 0.482 0.670
Sr 0.750 0.518 0.330
Sr 0.250 0.683 0.944
Sr 0.750 0.317 0.056
Ge 0.250 0.087 0.942
Ge 0.750 0.913 0.058
Ge 0.750 0.762 0.651
Ge 0.250 0.238 0.349
N 0.250 0.430 0.174
N 0.750 0.570 0.826
N 0.250 0.315 0.508
N 0.750 0.685 0.492 |
Below is a description of a material. | The chemical formula is: Ca2BeBr.
The XRD pattern shows main peaks at: 14.4°(0.35), 22.4°(0.25), 29.0°(0.36), 30.1°(0.13), 30.4°(0.12), 33.5°(1.0), 42.3°(0.1), 43.1°(0.23), 45.6°(0.07), 49.1°(0.06), 52.8°(0.23), 54.3°(0.23), 62.6°(0.07), 70.4°(0.1), 72.9°(0.17), 76.7°(0.08), 87.5°(0.11).
Generate atomic structure descr... | JVASP-68598 | 6.84 6.84 6.84
144 144 51
Ca 0.000 0.000 0.000
Ca 0.250 0.750 0.500
Be 0.500 0.500 0.000
Br 0.750 0.250 0.500 |
Below is a description of a material. | The chemical formula is: TmSnPt.
The XRD pattern shows main peaks at: 23.8°(0.13), 26.4°(0.1), 32.9°(0.84), 35.8°(1.0), 36.7°(0.33), 41.9°(0.49), 43.5°(0.36), 45.8°(0.29), 50.8°(0.09), 56.2°(0.09), 60.1°(0.16), 63.8°(0.3), 67.3°(0.36), 76.5°(0.06), 77.6°(0.12), 78.2°(0.1), 84.2°(0.08).
Generate atomic structure descrip... | JVASP-158738 | 7.48 7.48 3.96
90 90 119
Tm 0.597 0.000 0.000
Tm 0.403 0.403 0.000
Tm 0.000 0.597 0.000
Sn 0.262 -0.000 0.500
Sn -0.000 0.262 0.500
Sn 0.738 0.738 0.500
Pt -0.000 -0.000 0.000
Pt 0.667 0.333 0.500
Pt 0.333 0.667 0.500 |
Below is a description of a material. | The chemical formula is: LiGa2Pt.
The XRD pattern shows main peaks at: 25.0°(0.78), 41.4°(1.0), 48.9°(0.39), 59.9°(0.18), 65.9°(0.13), 75.4°(0.36).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-17685 | 4.37 4.37 4.37
60 60 59
Li 0.500 0.500 0.500
Ga 0.250 0.250 0.250
Ga 0.750 0.750 0.750
Pt 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: MnO2.
The XRD pattern shows main peaks at: 9.4°(1.0), 9.7°(0.99), 12.6°(0.16), 14.3°(0.31), 18.8°(0.09), 19.5°(0.09), 20.6°(0.07), 22.3°(0.11), 31.2°(0.05), 33.0°(0.05), 37.4°(0.11), 38.9°(0.12), 46.1°(0.06), 48.9°(0.05), 61.4°(0.07).
Generate atomic structure description with lattice lengths, ... | JVASP-146308 | 2.87 9.19 9.50
82 90 90
Mn 0.500 -0.000 0.500
Mn 0.000 0.997 0.763
Mn 0.000 0.003 0.237
Mn 0.000 0.500 0.000
Mn 0.500 0.235 0.968
Mn 0.500 0.765 0.032
O 0.500 0.387 0.090
O 0.500 0.613 0.910
O 0.000 0.133 0.065
O 0.000 0.867 0.935
O 0.500 0.107 0.314
O 0.000 0.896 0.424
O 0.000 0.104 0.576
O 0.000 0.349 0.878
O 0.500 0... |
Below is a description of a material. | The chemical formula is: Sm2BiO2.
The XRD pattern shows main peaks at: 29.8°(1.0), 31.9°(0.34), 39.3°(0.09), 45.8°(0.18), 51.5°(0.23), 55.6°(0.36), 61.9°(0.11), 65.5°(0.11), 66.8°(0.05), 74.8°(0.08), 75.9°(0.06), 83.6°(0.09), 89.1°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates an... | JVASP-92573 | 3.96 3.96 7.42
105 105 90
Sm 0.666 0.666 0.331
Sm 0.334 0.334 0.669
Bi 0.000 0.000 0.000
O 0.250 0.750 0.500
O 0.750 0.250 0.500 |
Below is a description of a material. | The chemical formula is: Ac2TlSn.
The XRD pattern shows main peaks at: 30.8°(1.0), 44.1°(0.19), 54.8°(0.39), 64.2°(0.12), 72.9°(0.16), 89.3°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-105712 | 5.81 5.81 5.81
60 60 60
Ac 0.750 0.750 0.750
Ac 0.250 0.250 0.250
Tl 0.000 0.000 0.000
Sn 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Ba2ScNbO6.
The XRD pattern shows main peaks at: 21.4°(0.07), 30.4°(1.0), 37.5°(0.15), 43.6°(0.36), 54.1°(0.43), 63.3°(0.2), 71.9°(0.19), 80.0°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-176257 | 5.87 5.87 5.87
60 60 60
Ba 0.750 0.750 0.750
Ba 0.250 0.250 0.250
Sc 0.500 0.500 0.500
Nb 0.000 -0.000 -0.000
O 0.756 0.756 0.244
O 0.244 0.244 0.756
O 0.756 0.244 0.756
O 0.244 0.756 0.244
O 0.244 0.756 0.756
O 0.756 0.244 0.244 |
Below is a description of a material. | The chemical formula is: CePd3.
The XRD pattern shows main peaks at: 37.5°(1.0), 43.5°(0.46), 63.3°(0.32), 75.9°(0.37), 79.9°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-20391 | 4.16 4.16 4.16
90 90 90
Ce 0.000 0.000 0.000
Pd 0.500 0.000 0.500
Pd 0.000 0.500 0.500
Pd 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: ZnNi2Mo.
The XRD pattern shows main peaks at: 42.5°(1.0), 48.6°(0.35), 51.1°(0.14), 71.2°(0.1), 73.2°(0.19), 86.5°(0.21).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-190010 | 2.65 2.65 7.15
90 90 90
Ni -0.000 0.000 0.760
Ni 0.000 0.000 0.240
Mo 0.500 0.500 0.500
Zn 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: LuNiPb.
The XRD pattern shows main peaks at: 23.9°(0.13), 33.9°(1.0), 36.8°(0.73), 41.9°(0.25), 44.3°(0.1), 48.5°(0.16), 51.0°(0.09), 55.0°(0.07), 57.0°(0.14), 62.4°(0.2), 66.0°(0.13), 68.0°(0.24), 73.0°(0.07), 81.1°(0.09).
Generate atomic structure description with lattice lengths, angles, coo... | JVASP-16906 | 7.46 7.46 3.75
90 90 119
Lu 0.600 -0.000 0.500
Lu 0.400 0.400 0.500
Lu -0.000 0.600 0.500
Ni 0.333 0.667 0.000
Ni 0.667 0.333 0.000
Ni 0.000 0.000 0.500
Pb 0.268 -0.000 0.000
Pb 0.732 0.732 0.000
Pb -0.000 0.268 0.000 |
Below is a description of a material. | The chemical formula is: AgBr.
The XRD pattern shows main peaks at: 30.9°(1.0), 44.2°(0.8), 54.9°(0.28), 64.3°(0.09), 73.0°(0.27), 81.3°(0.21).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-134115 | 4.09 4.09 5.81
90 90 90
Ag 0.000 0.000 0.250
Ag 0.500 0.500 0.750
Br 0.000 0.000 0.750
Br 0.500 0.500 0.250 |
Below is a description of a material. | The chemical formula is: ZrPd.
The XRD pattern shows main peaks at: 34.6°(1.0), 37.1°(0.09), 40.4°(0.22), 41.5°(0.29), 42.7°(0.57), 54.0°(0.12), 55.1°(0.13), 65.7°(0.07), 69.0°(0.08), 69.5°(0.08), 70.3°(0.12), 71.3°(0.09), 76.5°(0.16), 80.7°(0.09), 83.9°(0.1).
Generate atomic structure description with lattice lengths,... | JVASP-79768 | 3.40 4.35 5.47
90 108 90
Zr 0.858 0.750 0.717
Zr 0.142 0.250 0.283
Pd 0.589 0.750 0.179
Pd 0.411 0.250 0.821 |
Below is a description of a material. | The chemical formula is: NdGa2Cu2.
The XRD pattern shows main peaks at: 30.4°(0.13), 33.7°(0.58), 34.5°(0.07), 35.1°(1.0), 43.6°(0.53), 46.6°(0.08), 49.0°(0.26), 56.2°(0.27), 62.2°(0.12), 63.4°(0.15), 67.6°(0.21), 72.7°(0.05), 74.5°(0.2), 88.8°(0.12).
Generate atomic structure description with lattice lengths, angles, ... | JVASP-109334 | 5.97 5.97 5.97
139 139 58
Nd 0.000 0.000 0.000
Ga 0.750 0.250 0.500
Ga 0.250 0.750 0.500
Cu 0.383 0.383 -0.000
Cu 0.617 0.617 -0.000 |
Below is a description of a material. | The chemical formula is: K3Ni.
The XRD pattern shows main peaks at: 28.7°(1.0), 33.3°(0.55), 47.8°(0.35), 56.8°(0.4), 59.5°(0.11), 77.3°(0.14), 79.7°(0.13), 89.2°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-125866 | 5.38 5.38 5.38
90 90 90
K 0.000 0.500 0.500
K 0.500 0.000 0.500
K 0.500 0.500 0.000
Ni 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: ZrTiSe4.
The XRD pattern shows main peaks at: 14.5°(0.22), 29.2°(0.07), 31.7°(1.0), 40.9°(0.45), 49.5°(0.3), 53.4°(0.2), 60.0°(0.13), 66.1°(0.08), 75.8°(0.06), 81.4°(0.11), 82.0°(0.12), 85.0°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-12139 | 3.68 6.11 6.38
90 90 90
Zr 0.500 0.000 0.500
Ti 0.000 0.000 0.000
Se 0.000 0.260 0.322
Se 0.500 0.749 0.154
Se 0.500 0.251 0.846
Se 0.000 0.740 0.678 |
Below is a description of a material. | The chemical formula is: Li2SnPb.
The XRD pattern shows main peaks at: 22.0°(0.12), 25.4°(1.0), 36.2°(0.86), 44.8°(0.3), 52.2°(0.17), 58.9°(0.41), 65.2°(0.35), 76.9°(0.07), 82.6°(0.18), 88.1°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-107940 | 4.96 4.96 4.96
60 60 60
Li 0.250 0.250 0.250
Li 0.750 0.750 0.750
Sn 0.000 0.000 0.000
Pb 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Er2CoAg.
The XRD pattern shows main peaks at: 26.0°(0.11), 37.0°(1.0), 53.4°(0.18), 60.3°(0.05), 66.7°(0.33), 78.9°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-161249 | 4.85 4.85 4.85
60 60 60
Er 0.500 0.500 0.500
Er 0.000 0.000 0.000
Co 0.750 0.750 0.750
Ag 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: HfAl2Au.
The XRD pattern shows main peaks at: 22.3°(0.48), 30.2°(0.48), 37.9°(1.0), 43.3°(0.35), 45.6°(0.15), 49.2°(0.25), 55.7°(0.19), 62.9°(0.11), 64.7°(0.21), 67.6°(0.11), 71.3°(0.09), 75.8°(0.26), 79.1°(0.11), 81.0°(0.1), 87.0°(0.06), 88.9°(0.11).
Generate atomic structure description with ... | JVASP-190069 | 3.98 4.18 4.18
90 90 90
Hf 0.500 0.500 0.500
Au 0.500 0.000 -0.000
Al 0.000 -0.000 0.500
Al 0.000 0.500 0.000 |
Below is a description of a material. | The chemical formula is: CdI2.
The XRD pattern shows main peaks at: 12.9°(0.27), 25.9°(0.09), 27.3°(1.0), 29.0°(0.14), 42.2°(0.44), 44.3°(0.07), 51.0°(0.17), 68.2°(0.14), 77.1°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-29993 | 4.29 4.29 27.49
90 90 120
Cd 0.000 0.000 0.562
Cd 0.667 0.333 0.312
Cd 0.667 0.333 0.812
Cd 0.667 0.333 0.063
I 0.333 0.667 0.376
I 0.333 0.667 0.126
I 0.333 0.667 0.876
I 0.000 0.000 -0.001
I 0.667 0.333 0.499
I 0.000 0.000 0.749
I 0.333 0.667 0.626
I 0.000 0.000 0.249 |
Below is a description of a material. | The chemical formula is: Li8Sm.
The XRD pattern shows main peaks at: 3.9°(1.0), 7.8°(0.24), 11.7°(0.1), 15.7°(0.06), 32.5°(0.06), 33.2°(0.06), 34.4°(0.05), 36.0°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-125979 | 3.21 3.21 22.62
90 90 120
Li 0.000 0.000 0.235
Li 0.000 0.000 -0.014
Li 0.333 0.667 0.450
Li 0.667 0.333 0.557
Li 0.667 0.333 0.344
Li 0.000 0.000 0.773
Li 0.333 0.667 0.878
Li 0.333 0.667 0.665
Sm 0.667 0.333 0.110 |
Below is a description of a material. | The chemical formula is: Mg3Au.
The XRD pattern shows main peaks at: 18.7°(0.48), 22.3°(0.62), 29.2°(1.0), 37.8°(0.08), 39.1°(0.46), 43.7°(0.34), 44.4°(0.31), 45.5°(0.1), 49.5°(0.22), 55.5°(0.15), 60.6°(0.14), 61.5°(0.09), 64.9°(0.2), 70.8°(0.07), 74.0°(0.08), 74.5°(0.16).
Generate atomic structure description with lat... | JVASP-16448 | 4.61 4.61 9.51
90 90 120
Mg 0.333 0.667 0.090
Mg 0.667 0.333 0.590
Mg 0.333 0.667 0.750
Mg 0.667 0.333 0.250
Mg 0.333 0.667 0.410
Mg 0.667 0.333 0.910
Au 0.000 0.000 0.250
Au 0.000 0.000 0.750 |
Below is a description of a material. | The chemical formula is: BaReBr2.
The XRD pattern shows main peaks at: 21.2°(0.15), 24.7°(0.05), 30.2°(0.62), 32.8°(1.0), 39.4°(0.06), 43.2°(0.24), 50.6°(0.08), 55.2°(0.46), 60.1°(0.17), 62.7°(0.08), 68.7°(0.12), 71.1°(0.11), 72.6°(0.1), 84.7°(0.07), 88.3°(0.12).
Generate atomic structure description with lattice lengt... | JVASP-69253 | 4.19 4.19 7.21
90 90 90
Ba 0.500 0.500 0.500
Re 0.500 0.500 0.000
Br 0.000 0.000 0.740
Br 0.000 0.000 0.260 |
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