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: Na3Mn4Te6.
The XRD pattern shows main peaks at: 11.7°(0.12), 22.9°(0.5), 23.6°(0.56), 25.7°(1.0), 26.3°(0.53), 32.9°(0.39), 33.4°(0.13), 33.7°(0.11), 40.2°(0.31), 40.5°(0.64), 42.6°(0.39), 43.2°(0.21), 43.5°(0.17), 46.9°(0.27), 47.9°(0.13), 48.6°(0.22), 59.8°(0.12), 60.7°(0.13), 64.6°(0.12), 66... | JVASP-153415 | 7.76 7.76 7.54
90 90 120
Na 0.342 0.658 0.000
Na 0.658 0.342 -0.000
Na 0.000 0.000 0.000
Mn 0.980 0.662 0.625
Mn 0.338 0.020 0.375
Mn 0.020 0.338 0.375
Mn 0.662 0.980 0.625
Te 0.657 0.657 0.738
Te 0.343 0.343 0.262
Te 0.007 0.668 0.262
Te 0.332 0.993 0.738
Te 0.993 0.332 0.738
Te 0.668 0.007 0.262 |
Below is a description of a material. | The chemical formula is: Sr2ZnN2.
The XRD pattern shows main peaks at: 31.2°(1.0), 32.9°(0.62), 42.1°(0.14), 47.2°(0.21), 54.4°(0.25), 57.6°(0.35), 65.1°(0.14), 68.9°(0.07), 70.2°(0.1), 77.6°(0.07), 78.5°(0.09), 84.2°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-2946 | 3.85 3.86 6.99
106 106 90
Sr 0.659 0.659 0.317
Sr 0.341 0.341 0.683
Zn 0.000 0.000 0.000
N 0.857 0.857 0.713
N 0.143 0.143 0.287 |
Below is a description of a material. | The chemical formula is: NbAlCo2.
The XRD pattern shows main peaks at: 25.9°(0.2), 42.9°(1.0), 62.2°(0.17), 78.5°(0.34).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-15524 | 4.22 4.22 4.22
60 60 60
Nb 0.000 0.000 0.000
Al 0.500 0.500 0.500
Co 0.250 0.250 0.250
Co 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: ThSi2Os2.
The XRD pattern shows main peaks at: 18.1°(0.08), 22.8°(0.28), 34.6°(0.21), 35.0°(1.0), 36.6°(0.19), 42.5°(0.37), 57.3°(0.22), 61.7°(0.11), 64.8°(0.18), 72.9°(0.25), 73.9°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-86326 | 4.25 4.25 5.76
111 111 90
Th 0.000 0.000 0.000
Si 0.631 0.631 0.262
Si 0.369 0.369 0.738
Os 0.750 0.250 0.500
Os 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: LiVPO4.
The XRD pattern shows main peaks at: 10.9°(1.0), 22.3°(0.06), 26.5°(0.23), 28.7°(0.2), 34.0°(0.11), 38.6°(0.2), 40.2°(0.1), 44.8°(0.12), 47.4°(0.05), 51.7°(0.12), 60.4°(0.1), 69.9°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-42698 | 4.66 8.57 4.66
105 60 105
Li 0.002 0.007 0.002
Li 0.573 0.720 0.573
V 0.123 0.368 0.123
V 0.453 0.358 0.453
P 0.709 0.128 0.709
P 0.866 0.599 0.866
O 0.163 0.530 0.536
O 0.040 0.196 0.744
O 0.412 0.196 0.040
O 0.648 0.944 0.648
O 0.831 0.530 0.163
O 0.536 0.530 0.831
O 0.744 0.196 0.412
O 0.928 0.783 0.928 |
Below is a description of a material. | The chemical formula is: Tm2TeO6.
The XRD pattern shows main peaks at: 25.6°(1.0), 32.6°(0.81), 36.5°(0.26), 49.7°(0.67), 52.6°(0.16), 59.4°(0.16), 63.2°(0.18), 75.3°(0.15), 86.7°(0.13), 88.9°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-50444 | 4.92 9.95 4.92
90 90 90
Tm -0.000 0.335 0.000
Tm -0.000 0.665 0.000
Tm 0.500 0.165 0.500
Tm 0.500 0.835 0.500
Te 1.000 0.000 0.000
Te 0.500 0.500 0.500
O 0.218 0.500 0.781
O 0.719 0.000 0.719
O 0.685 0.648 0.685
O 0.685 0.352 0.685
O 0.315 0.648 0.315
O 0.782 0.500 0.219
O 0.281 -0.000 0.281
O 0.185 0.148 0.815
O 0.815... |
Below is a description of a material. | The chemical formula is: ZrAu2.
The XRD pattern shows main peaks at: 20.1°(0.06), 26.8°(0.12), 35.3°(0.71), 39.6°(1.0), 50.8°(0.25), 63.2°(0.07), 66.2°(0.45), 74.5°(0.19), 85.3°(0.19), 88.0°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-35751 | 3.60 3.60 5.09
110 110 90
Zr 0.000 0.000 0.000
Au 0.667 0.667 0.335
Au 0.333 0.333 0.665 |
Below is a description of a material. | The chemical formula is: ScIn2Cu.
The XRD pattern shows main peaks at: 16.9°(0.11), 21.0°(0.17), 22.4°(0.32), 25.0°(0.1), 33.0°(0.31), 33.8°(1.0), 35.4°(0.36), 36.4°(0.16), 41.8°(0.7), 42.2°(0.41), 42.7°(0.31), 44.4°(0.35), 48.2°(0.1), 55.3°(0.12), 60.8°(0.11), 61.6°(0.2), 62.8°(0.11), 65.9°(0.17), 75.3°(0.11), 83.5°(0... | JVASP-156222 | 5.68 5.68 7.13
90 90 44
Sc 0.072 0.072 0.250
Sc 0.928 0.928 0.750
In 0.365 0.365 0.042
In 0.365 0.365 0.458
In 0.635 0.635 0.542
In 0.635 0.635 0.958
Cu 0.795 0.795 0.250
Cu 0.205 0.205 0.750 |
Below is a description of a material. | The chemical formula is: KSc2F7.
The XRD pattern shows main peaks at: 16.7°(0.38), 21.9°(0.7), 27.2°(1.0), 27.6°(0.32), 28.6°(0.61), 36.3°(0.09), 40.5°(0.16), 43.8°(0.3), 44.7°(0.57), 48.0°(0.4), 48.9°(0.42), 50.4°(0.26), 51.5°(0.12), 53.0°(0.14), 53.9°(0.18), 56.0°(0.12), 64.3°(0.15), 65.1°(0.1), 68.4°(0.23), 74.3°(0.... | JVASP-22536 | 4.06 6.25 6.25
116 90 90
K 0.000 0.000 0.000
Sc 0.500 0.693 0.307
Sc 0.500 0.307 0.693
F 0.000 0.703 0.297
F 0.000 0.297 0.703
F 0.500 0.045 0.333
F 0.500 0.955 0.667
F 0.500 0.333 0.045
F 0.500 0.667 0.955
F 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: HfNi2Pt.
The XRD pattern shows main peaks at: 23.7°(0.21), 32.7°(0.2), 40.8°(1.0), 47.0°(0.32), 48.4°(0.16), 53.2°(0.1), 59.7°(0.07), 68.6°(0.11), 69.7°(0.2), 83.0°(0.25), 85.1°(0.12), 88.3°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-191586 | 3.76 3.87 3.87
90 90 90
Ni 0.500 0.000 0.500
Ni 0.500 0.500 0.000
Hf 0.000 0.000 0.000
Pt 0.000 0.500 0.500 |
Below is a description of a material. | The chemical formula is: RuW.
The XRD pattern shows main peaks at: 19.9°(0.11), 37.2°(0.28), 40.4°(0.26), 42.6°(1.0), 56.1°(0.18), 67.1°(0.16), 75.0°(0.19), 81.4°(0.21), 82.8°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-109692 | 2.79 2.79 4.46
90 90 120
Ru 0.333 0.667 0.500
W 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: HoBi2ClO4.
The XRD pattern shows main peaks at: 9.9°(0.08), 19.8°(0.09), 22.9°(0.13), 25.0°(0.2), 30.5°(1.0), 32.6°(0.36), 40.3°(0.07), 44.9°(0.16), 46.8°(0.21), 52.8°(0.21), 53.8°(0.05), 56.9°(0.36), 63.4°(0.08), 68.4°(0.06), 76.4°(0.12), 77.8°(0.07).
Generate atomic structure description with... | JVASP-26358 | 3.88 3.88 8.96
90 90 90
Ho 0.000 0.000 0.000
Bi 0.500 0.500 0.720
Bi 0.500 0.500 0.280
Cl 0.000 0.000 0.500
O 0.500 0.000 0.847
O 0.500 0.000 0.153
O 0.000 0.500 0.153
O 0.000 0.500 0.847 |
Below is a description of a material. | The chemical formula is: Mn3InC.
The XRD pattern shows main peaks at: 22.6°(0.11), 32.2°(0.18), 39.7°(1.0), 46.1°(0.61), 51.9°(0.05), 57.3°(0.07), 67.3°(0.34), 81.0°(0.37), 85.4°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-93252 | 3.94 3.94 3.94
90 90 90
Mn 0.500 0.000 0.000
Mn 0.000 0.000 0.500
Mn 0.000 0.500 0.000
In 0.500 0.500 0.500
C 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: CeSe2.
The XRD pattern shows main peaks at: 14.3°(0.67), 24.9°(0.12), 25.2°(0.14), 26.6°(0.45), 27.6°(0.09), 30.0°(1.0), 31.4°(0.11), 36.5°(0.52), 40.3°(0.36), 43.6°(0.64), 46.1°(0.21), 48.7°(0.06), 53.9°(0.17), 58.1°(0.14), 60.9°(0.11), 80.1°(0.11).
Generate atomic structure description with l... | JVASP-94329 | 4.15 4.15 12.64
80 80 60
Ce 0.916 0.916 0.251
Ce 0.084 0.084 0.749
Se 0.792 0.792 0.625
Se 0.628 0.628 0.117
Se 0.538 0.538 0.385
Se 0.376 0.376 0.873 |
Below is a description of a material. | The chemical formula is: Ba3As2O8.
The XRD pattern shows main peaks at: 27.3°(1.0), 30.7°(0.96), 37.7°(0.06), 39.4°(0.07), 41.5°(0.46), 45.9°(0.28), 52.5°(0.34), 54.5°(0.18), 56.2°(0.13), 63.9°(0.16), 65.4°(0.2), 70.8°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types... | JVASP-10566 | 7.91 7.91 7.91
43 43 43
Ba 0.794 0.794 0.794
Ba 0.206 0.206 0.206
Ba 0.000 0.000 0.000
As 0.593 0.593 0.593
As 0.407 0.407 0.407
O 0.672 0.672 0.672
O 0.328 0.328 0.328
O 0.727 0.727 0.243
O 0.727 0.243 0.727
O 0.243 0.727 0.727
O 0.273 0.757 0.273
O 0.273 0.273 0.757
O 0.757 0.273 0.273 |
Below is a description of a material. | The chemical formula is: Cu2SiTe3.
The XRD pattern shows main peaks at: 25.7°(0.88), 26.0°(1.0), 29.8°(0.17), 42.2°(0.23), 42.9°(0.9), 50.2°(0.31), 50.9°(0.41), 61.9°(0.14), 62.7°(0.06), 67.5°(0.06), 68.9°(0.15), 77.6°(0.14), 78.5°(0.06), 79.1°(0.07).
Generate atomic structure description with lattice lengths, angles, ... | JVASP-108137 | 7.28 7.28 7.28
145 131 60
Cu 0.157 0.167 0.990
Cu 0.824 0.833 0.990
Si 0.516 0.500 0.016
Te 0.922 0.669 0.253
Te 0.583 0.331 0.253
Te 0.247 0.000 0.247 |
Below is a description of a material. | The chemical formula is: Ti2ZnH2.
The XRD pattern shows main peaks at: 19.2°(0.06), 37.8°(0.58), 39.7°(1.0), 42.8°(0.05), 54.5°(0.18), 56.9°(0.05), 60.2°(0.06), 69.5°(0.31), 73.3°(0.13), 80.8°(0.05), 85.6°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-193926 | 3.37 3.37 5.19
71 71 90
H 0.750 0.250 0.500
H 0.250 0.750 0.500
Zn -0.000 -0.000 0.000
Ti 0.347 0.347 0.305
Ti 0.653 0.653 0.695 |
Below is a description of a material. | The chemical formula is: InB2As.
The XRD pattern shows main peaks at: 24.3°(0.96), 40.2°(1.0), 47.5°(0.49), 58.1°(0.17), 63.9°(0.2), 73.0°(0.34), 78.2°(0.14), 86.8°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-75891 | 4.49 4.49 4.49
60 60 60
In 0.750 0.750 0.750
B 0.000 0.000 0.000
B 0.250 0.250 0.250
As 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Er5Sb3.
The XRD pattern shows main peaks at: 23.1°(0.05), 28.8°(0.16), 30.8°(0.34), 34.1°(1.0), 35.0°(0.53), 35.3°(0.87), 50.6°(0.23), 54.0°(0.13), 54.5°(0.27), 56.3°(0.16), 59.6°(0.1), 68.0°(0.14), 71.0°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-21842 | 8.88 8.88 6.20
90 90 120
Er 0.245 0.000 0.250
Er 0.755 -0.000 0.750
Er 0.245 0.245 0.750
Er 0.000 0.245 0.250
Er 0.755 0.755 0.250
Er -0.000 0.755 0.750
Er 0.333 0.667 0.500
Er 0.667 0.333 0.000
Er 0.667 0.333 0.500
Er 0.333 0.667 0.000
Sb -0.000 0.612 0.250
Sb 0.612 0.612 0.750
Sb 0.388 0.000 0.750
Sb 0.612 -0.000 0.2... |
Below is a description of a material. | The chemical formula is: SrCa2SnN.
The XRD pattern shows main peaks at: 17.0°(0.14), 25.8°(0.2), 31.0°(1.0), 34.3°(0.23), 36.8°(0.39), 40.8°(0.08), 43.4°(0.1), 51.2°(0.29), 53.0°(0.13), 59.4°(0.16), 62.7°(0.27), 64.7°(0.14), 78.2°(0.06), 83.7°(0.11), 86.5°(0.06), 88.3°(0.06).
Generate atomic structure description with ... | JVASP-191259 | 4.89 4.89 5.23
90 90 90
Sr 0.000 -0.000 0.500
Ca -0.000 0.500 0.000
Ca 0.500 -0.000 -0.000
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: KSbP2O8.
The XRD pattern shows main peaks at: 10.9°(0.73), 21.7°(0.22), 22.6°(0.1), 25.9°(1.0), 28.2°(0.09), 33.6°(0.08), 36.6°(0.23), 37.4°(0.27), 43.1°(0.09), 43.8°(0.19), 46.1°(0.15), 53.4°(0.09), 59.7°(0.15), 60.8°(0.14), 67.0°(0.09), 67.5°(0.1).
Generate atomic structure description with l... | JVASP-152111 | 8.57 8.57 8.57
32 32 32
K 0.500 0.500 0.500
Sb 0.000 0.000 0.000
P 0.261 0.261 0.261
P 0.739 0.739 0.739
O 0.200 0.200 0.200
O 0.800 0.800 0.800
O 0.009 0.400 0.737
O 0.737 0.009 0.400
O 0.400 0.737 0.009
O 0.991 0.600 0.263
O 0.263 0.991 0.600
O 0.600 0.263 0.991 |
Below is a description of a material. | The chemical formula is: Ba2MnN2.
The XRD pattern shows main peaks at: 22.6°(0.19), 27.4°(0.18), 29.9°(1.0), 30.7°(0.79), 41.6°(0.3), 44.0°(0.26), 52.6°(0.23), 54.1°(0.37), 63.9°(0.08), 72.6°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-110307 | 4.12 4.12 7.14
106 106 90
Ba 0.142 0.142 0.785
Ba 0.858 0.858 0.215
Mn 0.500 0.500 0.500
N 0.633 0.633 0.765
N 0.367 0.367 0.235 |
Below is a description of a material. | The chemical formula is: TbCo2.
The XRD pattern shows main peaks at: 21.6°(0.14), 35.7°(0.62), 42.1°(1.0), 44.1°(0.14), 64.1°(0.23), 68.5°(0.29), 75.5°(0.2), 86.4°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-149053 | 5.03 5.03 5.03
59 59 59
Tb 0.125 0.125 0.125
Tb 0.875 0.875 0.875
Co 0.500 0.500 0.500
Co -0.000 0.500 0.500
Co 0.500 0.000 0.500
Co 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: ThZr2.
The XRD pattern shows main peaks at: 11.0°(0.27), 22.0°(0.1), 30.7°(0.1), 32.7°(1.0), 33.3°(0.27), 38.1°(0.59), 46.0°(0.08), 54.6°(0.2), 55.4°(0.21), 65.2°(0.13), 65.5°(0.23), 66.3°(0.1), 68.6°(0.11), 81.6°(0.08).
Generate atomic structure description with lattice lengths, angles, coordi... | JVASP-99398 | 3.36 3.36 8.06
90 90 120
Th 0.000 0.000 0.000
Zr 0.333 0.667 0.654
Zr 0.667 0.333 0.346 |
Below is a description of a material. | The chemical formula is: PrAl2Ga2.
The XRD pattern shows main peaks at: 15.7°(0.31), 29.8°(0.63), 31.9°(1.0), 33.9°(0.88), 42.7°(0.56), 45.6°(0.56), 54.3°(0.44), 62.0°(0.19), 64.3°(0.44), 66.5°(0.06), 82.3°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-56460 | 4.23 4.23 6.37
109 109 90
Pr 0.000 0.000 0.000
Al 0.250 0.750 0.500
Al 0.750 0.250 0.500
Ga 0.612 0.612 0.224
Ga 0.388 0.388 0.776 |
Below is a description of a material. | The chemical formula is: KVO3.
The XRD pattern shows main peaks at: 17.0°(0.16), 22.9°(0.11), 23.9°(0.12), 24.6°(0.05), 28.6°(1.0), 31.5°(0.42), 33.6°(0.08), 34.4°(0.34), 37.2°(0.15), 39.0°(0.1), 46.7°(0.15), 47.3°(0.09), 51.6°(0.06), 54.3°(0.15), 58.2°(0.1), 59.3°(0.06), 61.6°(0.05), 65.7°(0.06).
Generate atomic struc... | JVASP-55307 | 5.21 5.68 10.67
90 90 90
K 0.060 0.750 0.894
K 0.060 0.250 0.606
K 0.940 0.250 0.106
K 0.940 0.750 0.394
V 0.474 0.750 0.159
V 0.474 0.250 0.341
V 0.526 0.250 0.841
V 0.526 0.750 0.659
O 0.414 0.500 0.750
O 0.586 0.000 0.250
O 0.153 0.750 0.148
O 0.153 0.250 0.352
O 0.847 0.250 0.852
O 0.396 0.250 0.983
O 0.604 0.750 0... |
Below is a description of a material. | The chemical formula is: YBeCl2.
The XRD pattern shows main peaks at: 17.2°(0.44), 24.4°(0.39), 32.5°(0.18), 34.8°(0.46), 37.0°(1.0), 46.7°(0.23), 48.4°(0.11), 50.1°(0.15), 53.4°(0.1), 59.5°(0.3), 63.8°(0.18), 68.1°(0.09), 70.8°(0.07), 73.4°(0.05), 78.8°(0.1), 80.1°(0.17).
Generate atomic structure description with lat... | JVASP-72158 | 5.85 5.85 5.85
141 141 56
Y 0.500 0.500 0.000
Be 0.750 0.250 0.500
Cl 0.000 0.000 0.000
Cl 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: Ca3Nd.
The XRD pattern shows main peaks at: 18.2°(0.3), 21.0°(0.18), 29.9°(1.0), 35.2°(0.06), 42.7°(0.19), 53.0°(0.42), 62.0°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-99756 | 5.99 5.99 5.99
60 60 60
Ca 0.250 0.250 0.250
Ca 0.750 0.750 0.750
Ca 0.500 0.500 0.500
Nd 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Ba2CoNiS4.
The XRD pattern shows main peaks at: 9.9°(0.12), 19.9°(0.07), 22.5°(0.3), 28.6°(1.0), 30.1°(0.27), 35.1°(0.34), 36.5°(0.47), 40.9°(0.48), 42.0°(0.15), 47.2°(0.09), 50.6°(0.18), 51.6°(0.2), 56.0°(0.26), 59.3°(0.17), 59.8°(0.26), 67.1°(0.16), 67.6°(0.1), 70.8°(0.09), 86.0°(0.08), 89.2°... | JVASP-104973 | 4.41 4.41 8.91
90 90 90
Ba 0.500 0.500 0.199
Ba 0.000 0.000 0.800
Co 0.500 0.500 0.587
Ni 0.000 0.000 0.414
S 0.500 0.500 0.841
S 0.000 0.000 0.154
S 0.500 0.000 0.502
S 0.000 0.500 0.502 |
Below is a description of a material. | The chemical formula is: MnAlNi6.
The XRD pattern shows main peaks at: 44.0°(1.0), 51.2°(0.3), 51.5°(0.14), 75.6°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-99959 | 3.57 3.57 7.09
90 90 90
Mn 0.000 0.000 0.500
Al 0.000 0.000 0.000
Ni 0.500 0.500 0.000
Ni 0.500 0.500 0.500
Ni 0.500 0.000 0.251
Ni 0.500 0.000 0.749
Ni 0.000 0.500 0.251
Ni 0.000 0.500 0.749 |
Below is a description of a material. | The chemical formula is: KO2.
The XRD pattern shows main peaks at: 26.7°(0.47), 32.7°(1.0), 42.7°(0.39), 47.0°(0.45), 54.8°(0.17), 68.6°(0.21), 75.2°(0.11), 78.0°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-20479 | 3.87 3.87 4.32
116 116 90
K 0.000 0.000 0.000
O 0.601 0.601 0.203
O 0.399 0.399 0.797 |
Below is a description of a material. | The chemical formula is: SmTmRh2.
The XRD pattern shows main peaks at: 37.1°(1.0), 53.5°(0.16), 66.9°(0.32), 79.0°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-39035 | 4.85 4.85 4.85
60 60 60
Sm 0.250 0.250 0.250
Tm 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: NaGeO2.
The XRD pattern shows main peaks at: 16.5°(0.68), 32.9°(0.22), 33.4°(0.15), 34.3°(0.4), 39.5°(1.0), 43.1°(0.07), 51.7°(0.12), 56.5°(0.3), 57.7°(0.28), 60.5°(0.12), 67.2°(0.08), 68.3°(0.12), 72.2°(0.13), 85.1°(0.08).
Generate atomic structure description with lattice lengths, angles, coo... | JVASP-115030 | 5.68 5.68 5.68
32 32 32
Na 0.500 0.500 0.500
Ge 0.000 0.000 0.000
O 0.735 0.735 0.735
O 0.265 0.265 0.265 |
Below is a description of a material. | The chemical formula is: Sr3As.
The XRD pattern shows main peaks at: 30.1°(1.0), 31.3°(0.21), 36.5°(0.31), 48.9°(0.25), 52.6°(0.1), 55.0°(0.19), 61.8°(0.24), 62.5°(0.13), 77.3°(0.07), 79.6°(0.12), 86.0°(0.05), 88.9°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-185372 | 4.92 4.92 6.68
111 111 90
Sr 0.250 0.750 0.500
Sr 0.750 0.250 0.500
Sr 0.500 0.500 0.000
As 0.000 -0.000 0.000 |
Below is a description of a material. | The chemical formula is: Ba4ScPb.
The XRD pattern shows main peaks at: 15.1°(0.15), 17.5°(0.09), 24.8°(0.22), 29.2°(1.0), 30.5°(0.43), 35.4°(0.06), 39.7°(0.06), 43.7°(0.1), 46.5°(0.37), 50.9°(0.31), 59.8°(0.13), 60.5°(0.18), 69.3°(0.05), 71.4°(0.24), 82.3°(0.07).
Generate atomic structure description with lattice lengt... | JVASP-64148 | 7.17 7.17 7.17
60 60 60
Ba 0.127 0.624 0.624
Ba 0.624 0.624 0.624
Ba 0.624 0.127 0.624
Ba 0.624 0.624 0.127
Sc 0.000 0.000 0.000
Pb 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: LiTiInNi.
The XRD pattern shows main peaks at: 25.1°(0.38), 29.1°(0.22), 41.6°(1.0), 49.2°(0.19), 51.6°(0.05), 60.3°(0.16), 75.9°(0.3).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-187367 | 4.34 4.34 4.34
60 60 59
Ni 0.500 0.500 0.500
Ti 0.250 0.250 0.250
Li 0.000 0.000 0.000
In 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: LiSmAu2.
The XRD pattern shows main peaks at: 22.1°(0.17), 25.6°(0.26), 36.5°(1.0), 43.1°(0.09), 45.2°(0.08), 52.7°(0.18), 59.4°(0.1), 65.8°(0.41), 77.7°(0.13), 83.4°(0.06), 89.0°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-39142 | 4.92 4.92 4.92
60 60 60
Li 0.250 0.250 0.250
Sm 0.750 0.750 0.750
Au 0.500 0.500 0.500
Au 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: HoInAg2.
The XRD pattern shows main peaks at: 36.6°(1.0), 52.7°(0.17), 65.9°(0.32), 77.8°(0.1), 89.1°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-18584 | 4.91 4.91 4.91
59 59 60
Ho 0.000 0.000 0.000
In 0.500 0.500 0.500
Ag 0.250 0.250 0.250
Ag 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: HgTe.
The XRD pattern shows main peaks at: 25.1°(0.09), 29.1°(1.0), 41.6°(0.73), 51.6°(0.28), 60.3°(0.12), 68.4°(0.34), 76.0°(0.26).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-19985 | 4.34 4.34 4.34
60 60 60
Hg 0.000 0.000 0.000
Te 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: LaAsS.
The XRD pattern shows main peaks at: 20.0°(0.06), 24.0°(0.43), 24.5°(0.5), 26.6°(0.05), 31.4°(0.2), 33.0°(0.69), 37.5°(1.0), 44.5°(0.21), 45.5°(0.24), 50.6°(0.06), 51.4°(0.12), 52.1°(0.12), 65.5°(0.13), 76.1°(0.06), 77.3°(0.07), 78.8°(0.11).
Generate atomic structure description with lat... | JVASP-171079 | 4.07 3.99 17.74
90 90 89
La 0.222 0.251 0.853
La 0.278 0.249 0.353
La 0.778 0.749 0.147
La 0.722 0.751 0.647
As 0.202 0.750 0.503
As 0.298 0.750 0.003
As 0.798 0.250 0.497
As 0.702 0.250 0.997
S 0.225 0.251 0.686
S 0.275 0.249 0.186
S 0.775 0.749 0.314
S 0.725 0.751 0.814 |
Below is a description of a material. | The chemical formula is: ErTh.
The XRD pattern shows main peaks at: 30.9°(1.0), 31.3°(0.33), 35.9°(0.67), 51.4°(0.25), 52.0°(0.24), 61.5°(0.28), 62.0°(0.14), 64.3°(0.13), 76.2°(0.08), 84.0°(0.12), 84.6°(0.06), 85.3°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-171719 | 3.55 3.55 6.07
72 90 120
Er 0.000 0.000 -0.000
Th 0.500 -0.000 0.500 |
Below is a description of a material. | The chemical formula is: HfAl3.
The XRD pattern shows main peaks at: 19.9°(0.41), 24.7°(0.98), 32.1°(0.26), 38.0°(1.0), 40.4°(0.2), 46.0°(0.26), 50.6°(0.15), 52.5°(0.13), 52.9°(0.25), 62.9°(0.22), 67.2°(0.08), 71.9°(0.14), 79.9°(0.22).
Generate atomic structure description with lattice lengths, angles, coordinates and ... | JVASP-191536 | 3.94 5.26 5.26
116 112 112
Hf 0.500 0.750 0.250
Al 1.000 0.000 1.000
Al 0.000 0.500 0.500
Al 0.500 0.250 0.750 |
Below is a description of a material. | The chemical formula is: Ge2O3.
The XRD pattern shows main peaks at: 33.6°(1.0), 48.2°(0.41), 60.0°(0.41), 70.5°(0.22), 80.4°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-37693 | 3.78 3.78 3.78
90 90 90
Ge 0.000 0.000 0.000
Ge 0.500 0.500 0.500
O 0.500 0.500 0.000
O 0.500 0.000 0.500
O 0.000 0.500 0.500 |
Below is a description of a material. | The chemical formula is: ZrTi2O.
The XRD pattern shows main peaks at: 22.4°(0.12), 34.8°(1.0), 39.3°(0.89), 53.5°(0.28), 54.2°(0.08), 57.3°(0.06), 68.3°(0.25), 69.0°(0.2), 71.2°(0.14), 84.5°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-5320 | 4.59 4.59 6.77
90 90 119
Zr 0.000 0.000 0.500
Zr 0.000 0.000 0.000
Ti 0.667 0.333 0.717
Ti 0.333 0.667 0.283
Ti 0.333 0.667 0.717
Ti 0.667 0.333 0.283
O 0.333 0.667 0.000
O 0.667 0.333 0.000 |
Below is a description of a material. | The chemical formula is: ReO2.
The XRD pattern shows main peaks at: 25.5°(1.0), 36.4°(0.28), 37.7°(0.66), 52.5°(0.18), 53.4°(0.61), 59.2°(0.19), 66.4°(0.17), 74.7°(0.1), 77.4°(0.06), 78.1°(0.15), 80.4°(0.07), 88.7°(0.06), 89.4°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and a... | JVASP-16866 | 4.93 4.93 2.73
90 90 90
Re 0.500 0.500 0.500
Re 0.000 0.000 0.000
O 0.718 0.718 0.000
O 0.218 0.782 0.500
O 0.282 0.282 0.000
O 0.782 0.218 0.500 |
Below is a description of a material. | The chemical formula is: Y3Bi.
The XRD pattern shows main peaks at: 18.3°(0.14), 25.9°(0.13), 31.9°(1.0), 37.0°(0.5), 41.6°(0.08), 45.7°(0.06), 53.3°(0.34), 63.5°(0.41), 66.7°(0.12), 78.8°(0.05), 87.5°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-107704 | 4.86 4.86 4.86
90 90 90
Y 0.000 0.500 0.500
Y 0.500 0.000 0.500
Y 0.500 0.500 0.000
Bi 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: VWO4.
The XRD pattern shows main peaks at: 18.8°(0.22), 24.7°(1.0), 32.4°(0.12), 36.7°(0.25), 37.7°(0.26), 38.2°(0.16), 46.5°(0.2), 50.6°(0.07), 53.3°(0.26), 54.0°(0.16), 60.6°(0.12), 61.7°(0.14), 67.8°(0.06), 68.7°(0.07), 73.9°(0.11), 80.3°(0.07).
Generate atomic structure description with lat... | JVASP-184728 | 5.46 5.46 5.46
138 138 60
V 0.750 0.250 0.500
W 0.000 0.000 0.000
O 0.974 0.474 0.500
O 0.793 0.793 -0.000
O 0.526 0.026 0.500
O 0.207 0.207 0.000 |
Below is a description of a material. | The chemical formula is: YbNdPt2.
The XRD pattern shows main peaks at: 36.1°(1.0), 52.0°(0.18), 65.0°(0.37), 76.7°(0.11), 87.8°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-173650 | 4.97 4.97 4.97
59 59 59
Yb 0.750 0.750 0.750
Nd 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: K2TlRuF6.
The XRD pattern shows main peaks at: 19.5°(0.65), 27.7°(1.0), 39.5°(0.34), 44.4°(0.27), 49.0°(0.36), 57.2°(0.22), 64.7°(0.19), 78.5°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-108977 | 6.45 6.45 6.45
60 60 60
K 0.250 0.250 0.250
K 0.750 0.750 0.750
Tl 0.500 0.500 0.500
Ru 0.000 0.000 0.000
F 0.220 0.220 0.780
F 0.220 0.780 0.780
F 0.780 0.780 0.220
F 0.220 0.780 0.220
F 0.780 0.220 0.780
F 0.780 0.220 0.220 |
Below is a description of a material. | The chemical formula is: Te8Pd5Se2.
The XRD pattern shows main peaks at: 17.1°(0.12), 30.9°(1.0), 43.4°(0.3), 44.9°(0.15), 55.4°(0.06), 59.6°(0.08), 74.1°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-171570 | 4.04 17.57 5.19
89 90 83
Te 0.337 0.327 0.283
Te 0.734 0.532 0.272
Te 0.131 0.739 0.261
Te 0.467 0.065 0.723
Te 0.869 0.261 0.750
Te 0.267 0.466 0.742
Te 0.664 0.671 0.735
Te 0.064 0.873 0.715
Pd -0.001 0.001 -0.002
Pd 0.404 0.193 0.015
Pd 0.802 0.396 0.012
Pd 0.199 0.602 0.003
Pd 0.596 0.807 -0.009
Se 0.936 0.128 0.25... |
Below is a description of a material. | The chemical formula is: Hf2Se3.
The XRD pattern shows main peaks at: 14.1°(0.3), 16.0°(0.08), 19.8°(0.06), 27.6°(0.09), 28.6°(0.3), 31.2°(0.39), 35.1°(1.0), 40.1°(0.29), 45.8°(0.21), 48.9°(0.53), 61.6°(0.2).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-169054 | 6.45 13.08 6.46
75 119 104
Hf 0.744 0.231 0.926
Hf 0.913 0.731 0.426
Hf 0.834 0.499 0.833
Hf 0.166 0.499 0.501
Hf 0.499 0.498 0.167
Hf 0.666 0.998 0.667
Hf -0.002 0.999 0.333
Hf 0.333 0.999 0.001
Se 0.620 0.868 0.041
Se 0.291 0.866 0.377
Se 0.955 0.866 0.714
Se 0.452 0.366 0.877
Se 0.125 0.366 0.214
Se 0.789 0.368 0.54... |
Below is a description of a material. | The chemical formula is: BeVOsRh.
The XRD pattern shows main peaks at: 26.4°(0.18), 30.6°(0.6), 43.8°(1.0), 51.8°(0.05), 54.3°(0.16), 63.6°(0.15), 72.2°(0.21), 80.4°(0.31).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-189210 | 4.14 4.14 4.14
59 60 60
Rh -0.000 0.000 -0.000
Os 0.500 0.500 0.500
Be 0.750 0.750 0.750
V 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: TlZnIn.
The XRD pattern shows main peaks at: 22.6°(0.19), 26.1°(0.56), 37.2°(1.0), 44.0°(0.11), 46.0°(0.15), 53.7°(0.19), 60.7°(0.2), 67.2°(0.37), 79.4°(0.12), 85.3°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-156400 | 4.83 4.83 4.83
60 60 60
Tl 0.750 0.750 0.750
Zn 0.000 0.000 0.000
In 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: Ti2NbSbH.
The XRD pattern shows main peaks at: 22.4°(0.14), 29.4°(0.17), 37.2°(1.0), 42.1°(0.37), 45.6°(0.14), 48.1°(0.08), 55.2°(0.06), 61.0°(0.13), 63.8°(0.22), 73.7°(0.28), 78.8°(0.12), 79.4°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom type... | JVASP-192894 | 4.30 4.30 3.98
90 90 90
Sb 0.500 0.500 0.500
Nb 0.000 0.000 0.500
H 0.000 0.000 -0.000
Ti 0.000 0.500 0.000
Ti 0.500 0.000 -0.000 |
Below is a description of a material. | The chemical formula is: SnRh2.
The XRD pattern shows main peaks at: 36.9°(0.08), 38.4°(0.66), 39.0°(0.25), 39.5°(1.0), 40.0°(0.6), 42.4°(0.47), 46.6°(0.3), 55.9°(0.1), 58.9°(0.14), 64.8°(0.25), 67.8°(0.1), 70.6°(0.07), 72.6°(0.1), 74.9°(0.14), 75.5°(0.17), 83.3°(0.11), 87.6°(0.09).
Generate atomic structure descriptio... | JVASP-85566 | 4.27 5.61 8.11
90 90 90
Sn 0.750 0.808 0.101
Sn 0.750 0.308 0.399
Sn 0.250 0.192 0.899
Sn 0.250 0.692 0.601
Rh 0.250 0.168 0.570
Rh 0.750 0.455 0.724
Rh 0.750 0.955 0.776
Rh 0.750 0.832 0.430
Rh 0.750 0.332 0.070
Rh 0.250 0.668 0.930
Rh 0.250 0.045 0.224
Rh 0.250 0.545 0.276 |
Below is a description of a material. | The chemical formula is: LiFeF4.
The XRD pattern shows main peaks at: 17.6°(0.92), 25.8°(0.72), 26.9°(1.0), 31.9°(0.17), 35.4°(0.18), 37.8°(0.19), 40.1°(0.3), 40.6°(0.26), 42.6°(0.12), 43.0°(0.15), 50.4°(0.08), 50.9°(0.11), 52.6°(0.16), 53.0°(0.18), 53.4°(0.34), 54.5°(0.08), 55.4°(0.26), 61.4°(0.19), 66.6°(0.09), 67.7°... | JVASP-43620 | 5.55 4.67 5.64
90 114 90
Li 0.500 0.000 0.500
Li 0.500 0.500 0.000
Fe -0.000 0.500 0.500
Fe 0.000 0.000 0.000
F 0.152 0.714 0.837
F 0.152 0.786 0.337
F 0.326 0.301 0.638
F 0.326 0.199 0.138
F 0.674 0.801 0.862
F 0.674 0.699 0.362
F 0.848 0.214 0.663
F 0.848 0.286 0.163 |
Below is a description of a material. | The chemical formula is: Li3Fe4SbO8.
The XRD pattern shows main peaks at: 18.1°(1.0), 21.4°(0.14), 29.0°(0.07), 34.1°(0.3), 35.1°(0.17), 35.5°(0.22), 36.4°(0.3), 36.8°(0.14), 41.3°(0.97), 43.7°(0.39), 46.9°(0.13), 54.9°(0.1), 59.5°(0.14), 60.1°(0.13), 60.8°(0.26), 62.5°(0.24), 75.2°(0.06), 77.2°(0.12), 78.2°(0.06), 89.... | JVASP-145870 | 5.95 5.95 6.22
60 60 62
Li 0.000 0.500 -0.000
Li 0.500 0.000 -0.000
Li -0.000 0.000 0.500
Fe 0.000 0.000 0.000
Fe 0.500 0.000 0.500
Fe -0.000 0.500 0.500
Fe 0.500 0.500 0.500
Sb 0.500 0.500 -0.000
O 0.746 0.746 0.743
O 0.271 0.741 0.228
O 0.741 0.271 0.228
O 0.254 0.254 0.257
O 0.249 0.249 0.744
O 0.729 0.259 0.772
O 0... |
Below is a description of a material. | The chemical formula is: Fe3O4.
The XRD pattern shows main peaks at: 33.1°(0.09), 33.9°(1.0), 34.4°(0.33), 38.2°(0.44), 42.2°(0.08), 43.1°(0.1), 44.1°(0.42), 47.2°(0.53), 50.8°(0.12), 58.4°(0.09), 58.9°(0.22), 59.8°(0.1), 62.3°(0.13), 66.3°(0.27), 76.4°(0.16), 78.9°(0.08).
Generate atomic structure description with lat... | JVASP-13872 | 2.83 4.92 9.61
90 90 106
Fe 0.131 0.261 0.572
Fe 0.869 0.739 0.428
Fe 0.869 0.739 0.072
Fe 0.131 0.261 0.928
Fe 0.624 0.249 0.250
Fe 0.376 0.751 0.750
O 0.500 0.000 0.500
O 0.500 0.000 0.000
O 0.220 0.440 0.112
O 0.780 0.560 0.888
O 0.780 0.560 0.612
O 0.220 0.440 0.388
O 0.038 0.075 0.750
O 0.962 0.925 0.250 |
Below is a description of a material. | The chemical formula is: Sr2Zn3Cd.
The XRD pattern shows main peaks at: 15.8°(0.1), 31.4°(1.0), 32.1°(0.25), 35.5°(0.06), 36.2°(0.28), 37.3°(0.47), 38.5°(0.61), 49.9°(0.16), 52.9°(0.21), 59.0°(0.05), 61.2°(0.13), 61.7°(0.14), 63.6°(0.08), 66.8°(0.1), 68.1°(0.11).
Generate atomic structure description with lattice lengt... | JVASP-99613 | 6.08 6.08 7.83
50 50 46
Sr 0.453 0.453 0.795
Sr 0.546 0.546 0.203
Zn 0.176 0.176 0.389
Zn 0.153 0.153 0.789
Zn 0.835 0.835 0.218
Cd 0.836 0.836 0.606 |
Below is a description of a material. | The chemical formula is: LiInF4.
The XRD pattern shows main peaks at: 17.6°(1.0), 24.7°(0.9), 29.1°(0.7), 31.8°(0.54), 39.6°(0.25), 41.8°(0.28), 45.8°(0.16), 47.5°(0.19), 50.6°(0.34), 51.0°(0.31), 52.3°(0.2), 54.4°(0.14), 57.1°(0.16), 57.9°(0.09), 58.6°(0.09), 59.4°(0.08), 61.0°(0.08), 62.6°(0.08), 63.2°(0.07), 74.4°(0... | JVASP-118245 | 3.62 3.62 5.07
84 84 89
Li 0.500 0.500 0.500
In 0.000 0.000 0.000
F 0.459 0.953 0.249
F 0.953 0.460 0.249
F 0.541 0.047 0.751
F 0.047 0.540 0.751 |
Below is a description of a material. | The chemical formula is: Li3Co2Si2O8.
The XRD pattern shows main peaks at: 21.9°(0.52), 22.7°(1.0), 24.6°(0.09), 28.5°(0.16), 33.1°(0.22), 34.0°(0.27), 36.1°(0.39), 37.0°(0.07), 37.8°(0.2), 38.7°(0.1), 42.7°(0.11), 46.6°(0.07), 49.8°(0.07), 58.1°(0.13), 59.9°(0.1), 60.4°(0.11), 66.1°(0.15), 70.4°(0.07), 72.3°(0.06).
Ge... | JVASP-142852 | 4.97 5.27 6.35
89 89 89
Li 0.497 0.175 0.996
Li 0.997 0.824 0.500
Li 0.002 0.340 0.246
Co 0.991 0.828 0.983
Co 0.500 0.168 0.498
Si 0.991 0.324 0.747
Si 0.495 0.679 0.246
O 0.104 0.182 0.966
O 0.665 0.280 0.744
O 0.069 0.625 0.749
O 0.111 0.190 0.530
O 0.605 0.828 0.454
O 0.598 0.379 0.254
O 0.162 0.687 0.237
O 0.615 0... |
Below is a description of a material. | The chemical formula is: ZnS.
The XRD pattern shows main peaks at: 27.4°(0.26), 28.1°(1.0), 29.2°(0.74), 47.3°(0.91), 56.0°(0.15), 56.6°(0.11), 88.1°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-22623 | 3.84 3.84 31.40
90 90 120
Zn 0.667 0.333 0.200
Zn 0.000 0.000 0.300
Zn 0.333 0.667 0.400
Zn 0.000 0.000 0.000
Zn 0.667 0.333 0.600
Zn 0.000 0.000 0.500
Zn 0.333 0.667 0.700
Zn 0.667 0.333 0.900
Zn 0.000 0.000 0.800
Zn 0.333 0.667 0.100
S 0.667 0.333 0.975
S 0.667 0.333 0.275
S 0.000 0.000 0.075
S 0.667 0.333 0.675
S 0.... |
Below is a description of a material. | The chemical formula is: SrCeO3.
The XRD pattern shows main peaks at: 20.6°(0.17), 28.8°(0.25), 29.3°(1.0), 29.7°(0.22), 41.9°(0.32), 47.1°(0.07), 51.3°(0.17), 52.4°(0.27), 60.7°(0.14), 68.7°(0.07), 85.1°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-164010 | 6.02 6.20 8.62
90 90 90
Sr 0.986 0.451 0.250
Sr 0.486 0.049 0.750
Sr 0.514 0.951 0.250
Sr 0.014 0.549 0.750
Ce 0.500 0.500 0.500
Ce 0.500 0.500 -0.000
Ce 0.000 0.000 -0.000
Ce 0.000 0.000 0.500
O 0.390 0.547 0.250
O 0.300 0.799 0.559
O 0.800 0.701 0.441
O 0.700 0.201 0.441
O 0.200 0.299 0.941
O 0.200 0.299 0.559
O 0.80... |
Below is a description of a material. | The chemical formula is: Ti2C.
The XRD pattern shows main peaks at: 17.8°(0.12), 36.1°(1.0), 41.9°(0.78), 60.7°(0.43), 72.7°(0.34), 76.5°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-21619 | 6.10 6.10 6.10
60 60 60
Ti 0.767 0.244 0.244
Ti 0.244 0.767 0.244
Ti 0.244 0.244 0.767
Ti 0.756 0.756 0.756
Ti 0.756 0.233 0.756
Ti 0.233 0.756 0.756
Ti 0.756 0.756 0.233
Ti 0.244 0.244 0.244
C -0.000 0.500 0.000
C 0.500 0.000 0.000
C 0.000 0.000 0.500
C 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: ZrCu2P2.
The XRD pattern shows main peaks at: 30.6°(1.0), 39.8°(0.85), 43.8°(0.13), 47.4°(0.6), 52.2°(0.14), 57.5°(0.17), 63.6°(0.2), 66.6°(0.32), 77.7°(0.12), 83.1°(0.2), 88.3°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-16029 | 3.83 3.83 6.19
90 90 120
Zr 0.000 0.000 0.000
Cu 0.667 0.333 0.641
Cu 0.333 0.667 0.359
P 0.667 0.333 0.250
P 0.333 0.667 0.750 |
Below is a description of a material. | The chemical formula is: Sc3Rh.
The XRD pattern shows main peaks at: 18.1°(0.09), 24.1°(0.18), 35.5°(0.07), 36.8°(1.0), 45.6°(0.24), 59.8°(0.21), 66.1°(0.14), 78.4°(0.24).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-185271 | 3.98 3.98 5.66
110 110 90
Sc 0.250 0.750 0.500
Sc 0.750 0.250 0.500
Sc 0.500 0.500 -0.000
Rh -0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: RbMg6W.
The XRD pattern shows main peaks at: 13.0°(0.41), 18.5°(0.7), 20.8°(0.23), 26.3°(0.31), 28.0°(0.45), 33.8°(1.0), 36.3°(0.14), 37.5°(0.37), 42.4°(0.15), 43.3°(0.19), 45.4°(0.08), 46.6°(0.13), 47.4°(0.26), 50.6°(0.1), 54.1°(0.1), 57.9°(0.2), 58.6°(0.09), 65.3°(0.12), 71.0°(0.1), 72.1°(0.1... | JVASP-91821 | 6.79 9.60 4.26
90 90 135
Rb 0.250 0.375 0.250
Mg 0.750 0.375 0.250
Mg 0.750 0.875 0.250
Mg 0.250 0.082 0.750
Mg 0.250 0.668 0.750
Mg 0.664 0.082 0.750
Mg 0.836 0.668 0.750
W 0.250 0.875 0.250 |
Below is a description of a material. | The chemical formula is: TiCo3.
The XRD pattern shows main peaks at: 40.9°(0.27), 44.5°(0.27), 46.9°(1.0), 62.1°(0.14), 74.5°(0.15), 83.7°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-91939 | 4.07 5.09 5.09
119 90 90
Ti 0.750 0.667 0.333
Ti 0.250 0.333 0.667
Co 0.750 0.161 0.322
Co 0.750 0.161 0.839
Co 0.750 0.678 0.839
Co 0.250 0.839 0.678
Co 0.250 0.839 0.161
Co 0.250 0.322 0.161 |
Below is a description of a material. | The chemical formula is: LiBe2Ge.
The XRD pattern shows main peaks at: 11.5°(1.0), 23.1°(0.19), 34.2°(0.14), 34.9°(0.07), 36.2°(0.27), 41.7°(0.31), 47.2°(0.05), 49.2°(0.09), 49.7°(0.1), 50.7°(0.1), 55.0°(0.08), 59.6°(0.05), 61.7°(0.05), 70.5°(0.06), 86.9°(0.07).
Generate atomic structure description with lattice length... | JVASP-68471 | 2.62 2.62 7.71
90 90 90
Li 0.500 0.500 0.500
Be 0.000 0.000 0.744
Be 0.000 0.000 0.256
Ge 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: Li2HgHPd.
The XRD pattern shows main peaks at: 20.9°(0.19), 24.6°(0.75), 29.7°(0.97), 32.5°(0.14), 38.9°(1.0), 42.5°(0.42), 49.7°(0.45), 50.4°(0.13), 54.5°(0.07), 59.6°(0.27), 61.7°(0.14), 67.4°(0.17), 68.0°(0.21), 70.0°(0.15), 75.4°(0.31), 83.6°(0.12), 87.0°(0.11).
Generate atomic structure de... | JVASP-187489 | 4.25 4.25 3.62
90 90 90
H -0.000 -0.000 0.000
Hg 0.500 0.500 0.500
Pd -0.000 -0.000 0.500
Li -0.000 0.500 0.000
Li 0.500 -0.000 0.000 |
Below is a description of a material. | The chemical formula is: BaIn2Cl.
The XRD pattern shows main peaks at: 20.3°(0.08), 24.1°(0.1), 25.7°(0.42), 31.7°(1.0), 41.3°(0.24), 49.2°(0.51), 52.8°(0.05), 59.8°(0.07), 66.2°(0.11), 69.3°(0.22), 75.0°(0.08), 81.0°(0.13), 83.8°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates an... | JVASP-179105 | 4.37 4.37 6.94
90 90 90
Ba 0.500 0.500 0.500
In -0.000 0.500 -0.000
In 0.500 0.000 -0.000
Cl 0.000 -0.000 0.500 |
Below is a description of a material. | The chemical formula is: CeInPt4.
The XRD pattern shows main peaks at: 20.0°(0.23), 32.9°(0.16), 38.8°(1.0), 40.6°(0.54), 47.3°(0.12), 51.8°(0.06), 58.8°(0.06), 62.8°(0.33), 69.1°(0.31), 82.2°(0.12), 83.3°(0.21).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-149339 | 5.44 5.44 5.44
60 60 60
Ce 0.000 0.000 0.000
In 0.250 0.250 0.250
Pt 0.126 0.625 0.625
Pt 0.625 0.625 0.625
Pt 0.625 0.126 0.625
Pt 0.625 0.625 0.126 |
Below is a description of a material. | The chemical formula is: Mn3OF5.
The XRD pattern shows main peaks at: 25.6°(1.0), 26.8°(0.91), 33.4°(1.0), 37.4°(0.12), 38.0°(0.22), 38.9°(0.19), 41.2°(0.08), 42.8°(0.08), 50.3°(0.69), 51.7°(0.52), 52.6°(0.18), 55.2°(0.15), 59.9°(0.09), 61.8°(0.07), 64.9°(0.44), 75.7°(0.05), 79.7°(0.06), 88.2°(0.06).
Generate atomic st... | JVASP-46991 | 4.82 4.82 9.69
90 90 87
Mn 0.016 0.984 0.011
Mn 0.016 0.984 0.333
Mn 0.016 0.984 0.655
Mn 0.514 0.486 0.833
Mn 0.479 0.521 0.170
Mn 0.479 0.521 0.497
O 0.189 0.811 0.176
O 0.189 0.811 0.491
F 0.791 0.209 0.178
F 0.699 0.694 0.665
F 0.687 0.705 0.333
F 0.699 0.694 0.002
F 0.204 0.796 0.833
F 0.295 0.313 0.333
F 0.306 0.... |
Below is a description of a material. | The chemical formula is: YBeIr.
The XRD pattern shows main peaks at: 17.6°(0.38), 29.9°(0.92), 35.7°(0.27), 39.4°(1.0), 40.8°(0.52), 44.8°(0.15), 54.2°(0.07), 54.7°(0.06), 55.3°(0.3), 59.1°(0.17), 62.2°(0.06), 67.6°(0.18), 70.5°(0.11), 71.0°(0.14), 72.3°(0.17), 73.3°(0.29), 84.8°(0.07), 88.4°(0.06).
Generate atomic str... | JVASP-66769 | 5.50 5.50 5.50
146 146 47
Y 0.332 0.332 -0.000
Be 0.041 0.041 0.000
Ir 0.627 0.627 -0.000 |
Below is a description of a material. | The chemical formula is: CuRh3.
The XRD pattern shows main peaks at: 41.3°(1.0), 47.7°(0.15), 48.2°(0.32), 70.2°(0.2), 84.5°(0.12), 85.2°(0.22), 89.7°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-193134 | 3.78 3.78 4.65
113 113 90
Rh 0.250 0.750 0.500
Rh 0.750 0.250 0.500
Rh 0.500 0.500 -0.000
Cu -0.000 0.000 -0.000 |
Below is a description of a material. | The chemical formula is: KTa.
The XRD pattern shows main peaks at: 23.4°(0.5), 33.3°(1.0), 41.1°(0.15), 47.9°(0.18), 53.9°(0.21), 59.6°(0.38), 70.0°(0.12), 75.0°(0.1), 79.8°(0.17), 84.5°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-128254 | 3.80 3.80 3.80
90 90 90
K 0.500 0.500 0.500
Ta 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: BaZnAg4O8.
The XRD pattern shows main peaks at: 21.9°(0.09), 25.2°(0.05), 31.2°(1.0), 38.2°(0.1), 44.6°(0.22), 50.1°(0.15), 55.5°(0.36), 61.7°(0.1), 65.2°(0.1), 69.4°(0.08), 74.0°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-58143 | 5.73 5.73 7.07
90 90 120
Ba 0.000 0.000 0.000
Zn 0.000 0.000 0.500
Ag 0.333 0.667 0.706
Ag 0.667 0.333 0.706
Ag 0.333 0.667 0.294
Ag 0.667 0.333 0.294
O 0.281 0.281 0.677
O 0.719 0.000 0.677
O 0.000 0.719 0.677
O 0.719 0.719 0.323
O -0.000 0.281 0.323
O 0.281 -0.000 0.323
O 0.333 0.667 0.000
O 0.667 0.333 0.000 |
Below is a description of a material. | The chemical formula is: PaN.
The XRD pattern shows main peaks at: 31.2°(1.0), 36.2°(0.68), 52.2°(0.46), 62.1°(0.47), 65.2°(0.16), 76.9°(0.08), 85.3°(0.21), 88.1°(0.23).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-36354 | 3.51 3.51 3.51
60 60 60
Pa 0.000 0.000 0.000
N 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: TmMn6Ge6.
The XRD pattern shows main peaks at: 10.9°(0.11), 22.7°(0.14), 33.1°(0.11), 34.7°(0.83), 38.9°(0.46), 40.3°(0.54), 41.4°(1.0), 44.7°(0.26), 46.3°(0.36), 48.8°(0.22), 53.1°(0.18), 57.8°(0.1), 62.2°(0.15), 65.0°(0.19), 66.8°(0.25), 73.3°(0.3), 86.2°(0.09).
Generate atomic structure desc... | JVASP-21074 | 5.17 5.17 8.11
90 90 119
Tm 0.000 0.000 0.000
Mn -0.000 0.500 0.250
Mn 0.500 0.500 0.750
Mn 0.500 -0.000 0.750
Mn -0.000 0.500 0.750
Mn 0.500 0.500 0.250
Mn 0.500 -0.000 0.250
Ge 0.000 0.000 0.342
Ge 0.333 0.667 0.500
Ge 0.667 0.333 0.500
Ge 0.333 0.667 0.000
Ge 0.667 0.333 0.000
Ge 0.000 0.000 0.658 |
Below is a description of a material. | The chemical formula is: TaSeI.
The XRD pattern shows main peaks at: 9.7°(0.6), 19.6°(0.05), 28.5°(1.0), 29.5°(0.32), 30.1°(0.19), 39.7°(0.1), 40.7°(0.41), 41.5°(0.54), 49.6°(0.23), 51.1°(0.29), 58.2°(0.14), 58.9°(0.16), 66.7°(0.19), 67.2°(0.12), 73.4°(0.07), 74.6°(0.19), 80.5°(0.11).
Generate atomic structure descript... | JVASP-135151 | 3.14 3.14 9.07
90 90 90
Ta 0.000 0.000 0.692
Se 0.000 0.000 -0.042
I 0.000 0.000 0.379 |
Below is a description of a material. | The chemical formula is: CaPd3C.
The XRD pattern shows main peaks at: 20.8°(0.15), 29.6°(0.06), 36.5°(1.0), 42.4°(0.53), 47.7°(0.06), 61.5°(0.34), 73.6°(0.37), 77.5°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-16776 | 4.27 4.27 4.27
90 90 90
Ca 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
C 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: ReAu.
The XRD pattern shows main peaks at: 36.9°(0.23), 37.9°(0.28), 41.7°(1.0), 53.9°(0.15), 66.5°(0.16), 71.0°(0.21), 79.2°(0.21), 81.7°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-132620 | 2.81 2.81 4.75
90 90 120
Re 0.333 0.667 0.250
Au 0.667 0.333 0.750 |
Below is a description of a material. | The chemical formula is: TiNbSbO6.
The XRD pattern shows main peaks at: 18.9°(0.24), 24.6°(0.17), 24.9°(0.22), 28.8°(0.7), 29.2°(1.0), 29.5°(0.69), 32.3°(0.61), 34.2°(0.11), 36.7°(0.19), 38.5°(0.14), 45.6°(0.15), 46.8°(0.19), 49.2°(0.12), 49.7°(0.33), 52.7°(0.12), 53.2°(0.14), 55.3°(0.12), 56.1°(0.25), 61.2°(0.12), 64.... | JVASP-173796 | 4.90 5.57 8.67
91 73 90
Ti 0.582 0.679 0.346
Ti 0.418 0.321 0.654
Nb 0.935 0.816 0.653
Nb 0.065 0.184 0.347
Sb 0.294 0.744 0.002
Sb 0.706 0.256 0.998
O 0.512 0.583 0.139
O 0.651 0.915 0.866
O 0.488 0.417 0.861
O 0.349 0.085 0.134
O 0.224 0.847 0.437
O 0.659 0.651 0.559
O 0.776 0.153 0.563
O 0.341 0.349 0.441
O 0.817 0.... |
Below is a description of a material. | The chemical formula is: Be2CdRu.
The XRD pattern shows main peaks at: 29.9°(1.0), 31.3°(0.46), 42.8°(0.44), 43.8°(0.85), 53.9°(0.38), 62.1°(0.15), 65.2°(0.05), 70.4°(0.16), 71.2°(0.15), 73.4°(0.17), 79.0°(0.26), 81.2°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types... | JVASP-68317 | 2.99 2.99 5.72
90 90 90
Be 0.000 0.000 0.683
Be 0.000 0.000 0.317
Cd 0.500 0.500 0.000
Ru 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: SrCaV2O6.
The XRD pattern shows main peaks at: 11.6°(0.08), 26.1°(0.07), 33.1°(1.0), 40.9°(0.15), 47.6°(0.46), 59.2°(0.39), 69.6°(0.22), 79.2°(0.1), 88.6°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-173818 | 5.41 5.40 7.64
90 90 90
Sr 0.499 0.008 0.250
Sr 0.001 0.508 0.250
Ca 0.502 0.986 0.750
Ca -0.002 0.486 0.750
V 0.498 0.500 0.996
V 0.002 0.000 0.504
V 0.498 0.500 0.504
V 0.002 0.000 0.996
O 0.970 -0.000 0.250
O 0.530 0.500 0.250
O 0.042 0.004 0.750
O 0.458 0.504 0.750
O 0.266 0.767 0.012
O 0.234 0.267 0.488
O 0.733 0.... |
Below is a description of a material. | The chemical formula is: ZrMnO3.
The XRD pattern shows main peaks at: 22.6°(0.35), 31.2°(1.0), 33.0°(0.77), 38.0°(0.07), 46.0°(0.4), 50.6°(0.35), 54.2°(0.14), 57.8°(0.37), 59.0°(0.31), 65.0°(0.08), 67.6°(0.1), 69.3°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-44228 | 5.42 5.42 5.76
61 61 60
Zr 0.203 0.203 0.390
Zr 0.703 0.703 0.890
Mn 0.984 0.984 0.048
Mn 0.484 0.484 0.548
O 0.417 0.811 0.687
O 0.811 0.084 0.687
O 0.917 0.584 0.187
O 0.084 0.417 0.687
O 0.311 0.917 0.187
O 0.584 0.311 0.187 |
Below is a description of a material. | The chemical formula is: Nb3Cu.
The XRD pattern shows main peaks at: 39.4°(1.0), 57.0°(0.15), 71.5°(0.3), 84.8°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-101593 | 4.57 4.57 4.57
60 60 60
Nb 0.250 0.250 0.250
Nb 0.750 0.750 0.750
Nb 0.500 0.500 0.500
Cu 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Zr2Al3Co.
The XRD pattern shows main peaks at: 20.7°(0.09), 21.5°(0.21), 34.0°(0.7), 34.9°(0.34), 40.1°(0.22), 40.5°(1.0), 41.3°(0.37), 42.1°(0.16), 43.7°(0.07), 60.8°(0.12), 63.2°(0.12), 65.2°(0.23), 65.8°(0.19), 71.5°(0.17), 73.7°(0.16).
Generate atomic structure description with lattice leng... | JVASP-105952 | 5.14 5.14 5.14
61 61 61
Zr 0.627 0.627 0.627
Zr 0.373 0.373 0.373
Al 0.000 0.500 -0.000
Al 0.500 -0.000 -0.000
Al -0.000 0.000 0.500
Co 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: BeTl2Br.
The XRD pattern shows main peaks at: 11.7°(0.15), 23.5°(0.22), 26.1°(1.0), 33.2°(0.84), 35.6°(0.15), 41.0°(0.21), 42.9°(0.11), 47.5°(0.23), 49.4°(0.24), 54.1°(0.16), 55.0°(0.27), 59.3°(0.25), 60.8°(0.12), 66.0°(0.06), 69.5°(0.07), 71.4°(0.12), 74.8°(0.13), 75.6°(0.05), 79.2°(0.14), 81.... | JVASP-71166 | 3.83 3.83 7.57
90 90 90
Be 0.000 0.000 0.355
Tl 0.000 0.000 0.997
Tl 0.500 0.500 0.368
Br 0.500 0.500 0.780 |
Below is a description of a material. | The chemical formula is: K2YAuCl6.
The XRD pattern shows main peaks at: 14.5°(0.21), 16.7°(1.0), 23.7°(0.94), 33.8°(0.79), 38.0°(0.5), 41.7°(0.43), 48.6°(0.54), 60.5°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-100679 | 7.50 7.50 7.50
60 60 60
K 0.750 0.750 0.750
K 0.250 0.250 0.250
Y 0.000 0.000 0.000
Au 0.500 0.500 0.500
Cl 0.754 0.246 0.246
Cl 0.246 0.246 0.754
Cl 0.246 0.754 0.754
Cl 0.246 0.754 0.246
Cl 0.754 0.246 0.754
Cl 0.754 0.754 0.246 |
Below is a description of a material. | The chemical formula is: Li2YPt.
The XRD pattern shows main peaks at: 23.1°(1.0), 26.7°(0.13), 38.1°(0.82), 45.0°(0.49), 55.0°(0.14), 60.4°(0.2), 62.2°(0.05), 68.9°(0.3), 73.8°(0.15), 81.6°(0.09), 86.2°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-180742 | 4.72 4.72 4.72
60 60 60
Li 0.250 0.250 0.250
Li 0.500 0.500 0.500
Y -0.000 0.000 0.000
Pt 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: Sc6NiTe2.
The XRD pattern shows main peaks at: 23.0°(0.76), 23.8°(0.18), 27.3°(0.27), 33.3°(1.0), 35.4°(0.41), 36.0°(0.95), 40.3°(0.66), 43.1°(0.73), 46.9°(0.18), 48.7°(0.23), 53.3°(0.06), 54.5°(0.15), 55.1°(0.11), 61.7°(0.14), 63.6°(0.22), 65.1°(0.29), 65.6°(0.32), 68.9°(0.24), 70.0°(0.07), 84... | JVASP-16244 | 7.75 7.75 3.74
90 90 120
Sc 0.237 0.000 0.500
Sc 0.000 0.237 0.500
Sc 0.763 0.763 0.500
Sc 0.608 -0.000 0.000
Sc -0.000 0.608 0.000
Sc 0.392 0.392 0.000
Ni 0.000 0.000 0.000
Te 0.667 0.333 0.500
Te 0.333 0.667 0.500 |
Below is a description of a material. | The chemical formula is: NeU3.
The XRD pattern shows main peaks at: 11.7°(1.0), 19.4°(0.11), 30.6°(0.65), 35.3°(0.34), 39.4°(0.21), 40.7°(0.43), 41.1°(0.2), 45.8°(0.12), 53.9°(0.21), 58.2°(0.09), 61.1°(0.05), 63.3°(0.15), 66.0°(0.08), 72.2°(0.1), 75.2°(0.06), 78.1°(0.09), 83.1°(0.06), 84.1°(0.08).
Generate atomic struc... | JVASP-123506 | 2.70 7.58 4.58
90 90 90
Ne 0.000 0.120 0.750
U 0.500 0.436 0.250
U 0.500 0.614 0.750
U 0.000 0.830 0.250 |
Below is a description of a material. | The chemical formula is: Li2MnCoO4.
The XRD pattern shows main peaks at: 18.4°(1.0), 36.4°(0.26), 37.0°(0.14), 38.1°(0.08), 44.0°(0.51), 44.5°(0.25), 48.1°(0.1), 57.9°(0.08), 63.5°(0.14), 65.2°(0.13), 68.4°(0.08), 81.4°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom type... | JVASP-112904 | 4.93 5.81 5.09
90 108 90
Li 0.500 0.005 0.500
Li -0.000 0.245 0.500
Li 0.500 0.498 0.500
Li 0.000 0.752 0.500
Mn -0.000 0.498 -0.000
Mn 0.500 0.752 0.000
Co 0.500 0.234 -0.000
Co 0.000 0.016 -0.000
O 0.736 0.980 0.243
O 0.236 0.270 0.243
O 0.264 0.980 0.757
O 0.764 0.270 0.757
O 0.750 0.512 0.221
O 0.250 0.738 0.221
O ... |
Below is a description of a material. | The chemical formula is: KCoF3.
The XRD pattern shows main peaks at: 21.9°(0.32), 31.1°(1.0), 38.4°(0.07), 44.6°(0.68), 50.2°(0.13), 55.4°(0.38), 64.9°(0.36), 69.4°(0.05), 73.8°(0.14), 82.2°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-108961 | 4.06 4.06 4.06
90 90 90
K 0.000 0.000 0.000
Co 0.500 0.500 0.500
F 0.500 0.500 0.000
F 0.500 0.000 0.500
F 0.000 0.500 0.500 |
Below is a description of a material. | The chemical formula is: HoAsPd.
The XRD pattern shows main peaks at: 24.4°(0.1), 33.5°(0.46), 33.9°(0.71), 35.4°(1.0), 36.2°(0.33), 40.0°(0.14), 40.5°(0.47), 42.6°(0.27), 44.1°(0.4), 44.8°(0.19), 52.8°(0.09), 56.8°(0.11), 58.3°(0.18), 59.6°(0.08), 63.0°(0.08), 64.7°(0.13), 65.6°(0.2), 71.8°(0.13), 75.4°(0.11), 77.0°(0... | JVASP-22377 | 4.11 7.04 7.96
90 90 90
Ho 0.250 0.034 0.193
Ho 0.750 0.966 0.807
Ho 0.250 0.534 0.307
Ho 0.750 0.466 0.693
As 0.250 0.744 0.621
As 0.750 0.256 0.379
As 0.250 0.244 0.879
As 0.750 0.756 0.121
Pd 0.750 0.357 0.063
Pd 0.250 0.643 0.937
Pd 0.750 0.857 0.437
Pd 0.250 0.143 0.563 |
Below is a description of a material. | The chemical formula is: Ti4Mo3.
The XRD pattern shows main peaks at: 23.5°(0.23), 27.4°(0.08), 39.9°(1.0), 40.5°(0.99), 58.1°(0.34), 72.0°(0.16), 73.2°(0.27), 73.6°(0.16), 86.0°(0.07), 87.5°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-190815 | 4.46 4.46 7.01
108 89 119
Ti 0.930 0.861 0.792
Ti 0.070 0.139 0.208
Ti 0.789 0.578 0.366
Ti 0.211 0.422 0.634
Mo 0.644 0.288 0.933
Mo 0.500 0.000 0.500
Mo 0.356 0.712 0.067 |
Below is a description of a material. | The chemical formula is: YBRh3.
The XRD pattern shows main peaks at: 37.1°(1.0), 43.1°(0.52), 62.5°(0.34), 75.0°(0.38), 78.9°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-18546 | 4.20 4.20 4.20
90 90 90
Y 0.000 0.000 0.000
B 0.500 0.500 0.500
Rh 0.500 0.000 0.500
Rh 0.500 0.500 0.000
Rh 0.000 0.500 0.500 |
Below is a description of a material. | The chemical formula is: BeV2Si.
The XRD pattern shows main peaks at: 23.6°(0.3), 27.7°(0.1), 35.6°(0.21), 43.2°(1.0), 48.4°(0.16), 51.3°(0.24), 57.2°(0.08), 61.5°(0.07), 73.1°(0.17), 75.4°(0.08), 86.7°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-71957 | 4.53 4.53 4.53
133 133 67
Be 0.750 0.250 0.500
V -0.000 -0.000 0.000
V 0.500 0.500 -0.000
Si 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: ZrBe2Br.
The XRD pattern shows main peaks at: 19.0°(1.0), 34.0°(0.47), 38.5°(0.19), 39.2°(0.77), 48.8°(0.19), 52.3°(0.26), 52.9°(0.25), 63.9°(0.19), 70.2°(0.14), 71.6°(0.06), 74.8°(0.08), 80.3°(0.07), 81.7°(0.06), 84.4°(0.08), 84.8°(0.17).
Generate atomic structure description with lattice leng... | JVASP-69698 | 5.36 5.36 5.36
139 139 58
Zr 0.750 0.250 0.500
Be 0.000 0.000 0.000
Be 0.500 0.500 0.000
Br 0.250 0.750 0.500 |
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