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: RbBa3.
The XRD pattern shows main peaks at: 25.0°(1.0), 35.6°(0.21), 44.0°(0.44), 51.2°(0.14), 57.8°(0.2), 69.8°(0.22), 80.9°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-38337 | 7.13 7.13 7.13
60 60 60
Rb 0.750 0.750 0.750
Ba 0.000 0.000 0.000
Ba 0.500 0.500 0.500
Ba 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: CdIrRu.
The XRD pattern shows main peaks at: 25.4°(0.25), 29.4°(0.3), 42.1°(1.0), 49.8°(0.11), 52.2°(0.09), 61.1°(0.17), 69.3°(0.1), 77.0°(0.34).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-51171 | 4.29 4.29 4.29
60 60 60
Cd 0.000 0.000 0.000
Ir 0.500 0.500 0.500
Ru 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: Mg3Sc.
The XRD pattern shows main peaks at: 23.7°(0.08), 32.2°(0.24), 35.4°(0.25), 36.8°(1.0), 48.6°(0.14), 57.3°(0.17), 64.5°(0.17), 69.2°(0.19), 70.1°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-41184 | 6.43 6.43 5.07
90 90 120
Mg 0.665 0.833 0.750
Mg 0.167 0.833 0.750
Mg 0.167 0.335 0.750
Mg 0.833 0.665 0.250
Mg 0.833 0.167 0.250
Mg 0.335 0.167 0.250
Sc 0.667 0.333 0.750
Sc 0.333 0.667 0.250 |
Below is a description of a material. | The chemical formula is: YbSi.
The XRD pattern shows main peaks at: 21.4°(0.44), 28.5°(0.68), 31.6°(1.0), 32.2°(0.51), 33.8°(0.28), 39.9°(0.53), 41.2°(0.09), 46.9°(0.16), 49.8°(0.29), 52.1°(0.09), 53.3°(0.33), 57.2°(0.11), 58.0°(0.21), 59.0°(0.12), 63.3°(0.12), 64.9°(0.12), 67.4°(0.11), 72.1°(0.12), 73.7°(0.12), 83.8°(... | JVASP-14269 | 3.88 4.51 5.77
113 90 90
Yb 0.250 0.861 0.722
Yb 0.750 0.139 0.278
Si 0.250 0.571 0.142
Si 0.750 0.429 0.858 |
Below is a description of a material. | The chemical formula is: HCl2.
The XRD pattern shows main peaks at: 28.3°(0.76), 30.6°(1.0), 36.8°(0.36), 43.9°(0.3), 51.5°(0.14), 52.9°(0.19), 55.7°(0.14), 56.2°(0.08), 58.5°(0.07), 63.7°(0.06), 68.7°(0.12), 75.7°(0.05), 79.6°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and a... | JVASP-120211 | 5.28 4.22 3.81
124 110 51
H -0.027 0.013 0.795
Cl 0.690 0.582 0.795
Cl 0.186 0.591 0.795 |
Below is a description of a material. | The chemical formula is: TlAgTe2.
The XRD pattern shows main peaks at: 25.3°(0.11), 28.7°(1.0), 34.6°(0.38), 35.4°(0.18), 36.7°(0.22), 38.4°(0.18), 46.1°(0.24), 51.0°(0.17), 53.2°(0.09), 59.5°(0.23), 60.1°(0.07), 65.6°(0.15), 75.0°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates a... | JVASP-15838 | 3.58 3.58 9.71
100 100 90
Tl 0.000 0.000 0.000
Ag 0.750 0.250 0.500
Te 0.365 0.365 0.731
Te 0.635 0.635 0.269 |
Below is a description of a material. | The chemical formula is: Na2S.
The XRD pattern shows main peaks at: 23.3°(0.1), 24.7°(0.13), 26.5°(0.1), 32.5°(0.59), 33.1°(0.11), 34.5°(1.0), 38.6°(0.42), 39.5°(0.17), 40.7°(0.18), 42.1°(0.43), 43.4°(0.12), 43.9°(0.24), 45.0°(0.15), 46.5°(0.18), 59.1°(0.09), 62.0°(0.08), 62.5°(0.17), 63.2°(0.12), 70.7°(0.15), 72.0°(0.... | JVASP-34657 | 4.29 7.11 8.35
90 90 90
Na 0.250 0.145 0.428
Na 0.750 0.476 0.331
Na 0.750 0.976 0.169
Na 0.750 0.355 0.928
Na 0.250 0.524 0.669
Na 0.750 0.855 0.572
Na 0.250 0.645 0.072
Na 0.250 0.024 0.831
S 0.250 0.753 0.386
S 0.250 0.253 0.114
S 0.750 0.747 0.886
S 0.750 0.247 0.614 |
Below is a description of a material. | The chemical formula is: Li2ZnSi.
The XRD pattern shows main peaks at: 23.3°(0.09), 26.8°(1.0), 33.8°(0.58), 42.4°(0.48), 43.2°(0.39), 47.7°(0.08), 48.9°(0.08), 50.8°(0.15), 55.2°(0.14), 62.1°(0.13), 65.6°(0.19), 66.2°(0.07), 68.3°(0.12), 72.0°(0.13), 77.5°(0.08), 78.0°(0.12).
Generate atomic structure description with... | JVASP-90864 | 4.27 4.27 7.63
90 90 120
Li 0.667 0.333 0.582
Li 0.333 0.667 0.418
Li 0.333 0.667 0.082
Li 0.667 0.333 0.918
Zn 0.666 0.334 0.250
Zn 0.334 0.666 0.750
Si 0.000 0.000 0.500
Si 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: DyCd2.
The XRD pattern shows main peaks at: 33.7°(1.0), 36.3°(0.76), 50.4°(0.32), 54.0°(0.08), 63.7°(0.31), 65.4°(0.14), 66.9°(0.25), 77.2°(0.08), 89.8°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-78810 | 3.39 4.94 4.94
120 90 89
Dy 0.000 0.000 0.000
Cd 0.500 0.333 0.667
Cd 0.500 0.667 0.333 |
Below is a description of a material. | The chemical formula is: LuZnPd2.
The XRD pattern shows main peaks at: 23.7°(0.13), 39.2°(1.0), 46.3°(0.07), 56.6°(0.18), 71.0°(0.34), 84.2°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-41650 | 4.60 4.60 4.60
60 60 60
Lu 0.250 0.250 0.250
Zn 0.750 0.750 0.750
Pd 0.000 0.000 0.000
Pd 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Te6MoW2.
The XRD pattern shows main peaks at: 2.9°(1.0), 5.7°(0.07), 11.5°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-172920 | 3.57 3.57 30.90
90 89 120
Te 0.333 0.667 0.406
Te 0.667 0.333 0.058
Te 0.667 0.333 0.519
Te 0.667 0.333 0.175
Te 0.667 0.333 0.637
Te 0.333 0.667 0.288
Mo 0.333 0.667 0.116
W 0.333 0.667 0.578
W 0.667 0.333 0.347 |
Below is a description of a material. | The chemical formula is: ScRh7.
The XRD pattern shows main peaks at: 40.4°(1.0), 47.0°(0.48), 68.6°(0.29), 82.8°(0.33), 87.3°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-187903 | 5.47 5.47 5.47
60 60 60
Sc -0.000 0.000 0.000
Rh 0.500 0.500 0.000
Rh 0.000 -0.000 0.500
Rh 0.500 0.000 0.500
Rh -0.000 0.500 -0.000
Rh 0.500 -0.000 0.000
Rh -0.000 0.500 0.500
Rh 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: LiPCl.
The XRD pattern shows main peaks at: 21.6°(0.81), 30.1°(0.65), 37.3°(0.31), 37.9°(1.0), 44.0°(0.09), 49.1°(0.86), 54.3°(0.08), 62.5°(0.07), 68.4°(0.14), 75.5°(0.23), 76.5°(0.21), 81.0°(0.1), 88.7°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and ... | JVASP-136360 | 4.75 4.75 2.97
90 90 120
Li 0.333 0.667 0.000
P 0.667 0.333 0.000
Cl 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Rb2NaErCl6.
The XRD pattern shows main peaks at: 14.6°(0.5), 16.8°(0.11), 23.9°(1.0), 28.1°(0.25), 29.4°(0.19), 34.0°(0.73), 42.0°(0.46), 48.9°(0.54), 55.1°(0.19), 60.9°(0.17), 66.4°(0.06), 71.7°(0.05), 81.8°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates... | JVASP-100695 | 7.45 7.45 7.45
60 60 60
Rb 0.750 0.750 0.750
Rb 0.250 0.250 0.250
Na 0.500 0.500 0.500
Er 0.000 0.000 0.000
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: Li9S3N.
The XRD pattern shows main peaks at: 16.2°(0.07), 28.3°(1.0), 32.8°(0.26), 36.8°(0.11), 47.0°(0.65), 55.8°(0.31), 58.5°(0.06), 68.7°(0.08), 75.8°(0.13), 78.2°(0.09), 87.4°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-88757 | 5.47 5.47 5.47
90 90 90
Li 0.783 0.217 0.783
Li 0.217 0.217 0.217
Li 0.783 0.783 0.783
Li 0.217 0.783 0.217
Li 0.783 0.217 0.217
Li 0.783 0.783 0.217
Li 0.500 0.500 0.500
Li 0.217 0.783 0.783
Li 0.217 0.217 0.783
S 0.500 0.500 0.000
S 0.000 0.500 0.500
S 0.500 0.000 0.500
N 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Ba4ScSe.
The XRD pattern shows main peaks at: 15.2°(0.38), 24.9°(0.1), 29.3°(1.0), 30.6°(0.66), 35.5°(0.2), 38.8°(0.12), 46.7°(0.33), 51.1°(0.35), 53.6°(0.09), 60.0°(0.12), 60.7°(0.27), 71.7°(0.21), 75.1°(0.05), 82.6°(0.07), 83.3°(0.06).
Generate atomic structure description with lattice length... | JVASP-64336 | 7.15 7.15 7.15
60 60 60
Ba 0.123 0.626 0.626
Ba 0.626 0.626 0.626
Ba 0.626 0.123 0.626
Ba 0.626 0.626 0.123
Sc 0.250 0.250 0.250
Se 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Rb.
The XRD pattern shows main peaks at: 22.7°(1.0), 32.3°(0.18), 39.8°(0.44), 46.3°(0.09), 52.2°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-25303 | 7.83 12.42 12.42
36 71 71
Rb 0.559 0.686 0.188
Rb 0.934 0.811 0.314
Rb 0.684 0.061 0.564
Rb 0.434 0.312 0.813
Rb 0.309 0.937 0.438
Rb 0.809 0.436 0.939
Rb 0.059 0.187 0.688
Rb 0.184 0.562 0.063 |
Below is a description of a material. | The chemical formula is: Nb2O3F2.
The XRD pattern shows main peaks at: 14.2°(0.53), 22.9°(0.73), 23.7°(1.0), 27.8°(0.52), 28.7°(0.34), 29.5°(0.3), 32.7°(0.23), 34.7°(0.39), 35.9°(0.23), 36.8°(0.18), 39.7°(0.23), 43.6°(0.19), 46.9°(0.16), 48.2°(0.15), 50.0°(0.21), 51.2°(0.25), 51.9°(0.13), 52.9°(0.17), 53.3°(0.24), 63.7... | JVASP-167160 | 5.18 5.73 7.18
73 114 91
Nb 0.125 0.321 0.194
Nb 0.388 0.199 0.817
Nb 0.612 0.801 0.183
Nb 0.875 0.679 0.806
O 0.138 0.348 0.897
O 0.258 0.846 0.906
O 0.557 0.505 0.722
O 0.443 0.495 0.278
O 0.742 0.154 0.094
O 0.862 0.652 0.103
F 0.899 0.755 0.507
F 0.357 0.978 0.287
F 0.643 0.022 0.713
F 0.101 0.245 0.493 |
Below is a description of a material. | The chemical formula is: VN.
The XRD pattern shows main peaks at: 34.9°(1.0), 40.5°(0.25), 58.6°(0.41), 70.1°(0.28), 73.7°(0.05), 87.6°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-35983 | 3.15 3.15 3.15
60 60 60
V 0.000 0.000 0.000
N 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: Tb8Y.
The XRD pattern shows main peaks at: 3.5°(0.13), 29.2°(0.33), 29.9°(0.21), 32.3°(1.0), 34.0°(0.89), 51.4°(0.39), 62.0°(0.15), 63.1°(0.15), 84.7°(0.13), 85.6°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-130112 | 3.55 3.55 25.55
90 90 120
Tb 0.000 0.000 0.222
Tb 0.667 0.333 0.112
Tb 0.667 0.333 0.334
Tb 0.667 0.333 0.555
Tb 0.333 0.667 0.445
Tb 0.333 0.667 0.666
Tb 0.333 0.667 0.888
Tb 0.000 0.000 0.778
Y 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: CaMg.
The XRD pattern shows main peaks at: 22.6°(0.07), 32.1°(1.0), 45.8°(0.07), 46.2°(0.13), 57.4°(0.26), 67.1°(0.09), 76.0°(0.06), 76.7°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-78807 | 5.55 5.56 3.96
90 90 90
Ca 0.000 0.000 -0.000
Ca 0.500 0.500 0.000
Mg 0.500 0.000 0.500
Mg 0.000 0.500 0.500 |
Below is a description of a material. | The chemical formula is: SrBiP.
The XRD pattern shows main peaks at: 20.5°(0.15), 21.0°(0.41), 29.5°(1.0), 36.9°(0.46), 41.7°(0.12), 42.6°(0.13), 47.2°(0.11), 47.9°(0.28), 56.9°(0.27), 62.0°(0.26), 66.4°(0.09), 68.7°(0.1), 80.6°(0.07), 81.6°(0.1).
Generate atomic structure description with lattice lengths, angles, coor... | JVASP-180881 | 4.88 4.88 4.33
90 90 120
Sr 0.000 -0.000 -0.000
Bi 0.333 0.667 0.500
P 0.667 0.333 0.500 |
Below is a description of a material. | The chemical formula is: ScTeRh.
The XRD pattern shows main peaks at: 24.4°(0.58), 28.3°(0.07), 40.4°(1.0), 47.8°(0.3), 58.5°(0.17), 73.5°(0.33), 87.4°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-109827 | 4.46 4.46 4.46
60 59 60
Sc 0.000 0.000 0.000
Te 0.500 0.500 0.500
Rh 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: Co8NiS8.
The XRD pattern shows main peaks at: 15.5°(0.22), 25.5°(0.05), 30.0°(0.9), 31.4°(0.18), 36.4°(0.07), 39.8°(0.13), 47.9°(0.29), 52.4°(1.0), 61.6°(0.1), 62.4°(0.05), 73.7°(0.16), 77.3°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-159385 | 6.98 6.98 6.98
60 60 60
Co 0.873 0.873 0.873
Co 0.873 0.380 0.873
Co 0.873 0.873 0.380
Co 0.380 0.873 0.873
Co 0.127 0.620 0.127
Co 0.127 0.127 0.127
Co 0.127 0.127 0.620
Co 0.620 0.127 0.127
Ni 0.500 0.500 0.500
S 0.750 0.750 0.750
S 0.250 0.250 0.250
S 0.258 0.742 0.742
S 0.742 0.258 0.258
S 0.742 0.742 0.258
S 0.258... |
Below is a description of a material. | The chemical formula is: CaTe.
The XRD pattern shows main peaks at: 23.4°(0.12), 26.0°(1.0), 33.1°(0.45), 40.7°(0.36), 42.7°(0.25), 47.5°(0.11), 48.9°(0.17), 53.5°(0.11), 60.5°(0.09), 64.6°(0.16), 65.5°(0.14), 66.0°(0.07), 69.3°(0.11), 75.5°(0.09).
Generate atomic structure description with lattice lengths, angles, coo... | JVASP-86819 | 4.43 7.61 7.68
90 90 90
Ca 0.250 0.500 0.750
Ca 0.750 0.500 0.250
Ca 0.250 -0.000 0.750
Ca 0.750 0.000 0.250
Te 0.250 0.750 0.083
Te 0.750 0.250 0.917
Te 0.250 0.250 0.417
Te 0.750 0.750 0.583 |
Below is a description of a material. | The chemical formula is: LiPrSn2.
The XRD pattern shows main peaks at: 21.7°(0.05), 24.1°(0.14), 28.0°(0.14), 30.6°(0.11), 31.2°(1.0), 34.4°(0.18), 39.7°(0.33), 42.8°(0.08), 47.2°(0.08), 49.3°(0.12), 50.9°(0.05), 53.5°(0.1), 57.4°(0.11), 59.8°(0.06), 63.4°(0.07), 65.1°(0.05), 66.8°(0.22).
Generate atomic structure desc... | JVASP-91629 | 4.54 4.54 9.83
90 103 90
Li 0.676 0.750 0.352
Li 0.324 0.250 0.648
Pr 0.894 0.750 0.787
Pr 0.106 0.250 0.213
Sn 0.545 0.750 0.089
Sn 0.455 0.250 0.911
Sn 0.250 0.750 0.500
Sn 0.750 0.250 0.500 |
Below is a description of a material. | The chemical formula is: ZrH2C3O4.
The XRD pattern shows main peaks at: 15.5°(1.0), 20.7°(0.89), 22.0°(0.32), 24.5°(0.48), 25.8°(0.31), 26.1°(0.35), 26.7°(0.25), 29.5°(0.24), 31.7°(0.56), 34.8°(0.24), 35.3°(0.2), 36.4°(0.16), 42.1°(0.22), 42.6°(0.14), 43.9°(0.16), 45.0°(0.15), 45.4°(0.16), 47.8°(0.19), 48.8°(0.19), 53.... | JVASP-112145 | 4.38 4.58 5.84
85 77 69
Zr 0.721 0.176 0.554
H 0.223 0.692 0.033
H 0.780 0.776 0.109
C 0.058 0.472 0.351
C 0.024 0.593 0.098
C 0.049 0.361 0.923
O -0.002 0.751 0.479
O 0.392 0.285 0.354
O 0.324 0.147 0.844
O 0.786 0.385 0.850 |
Below is a description of a material. | The chemical formula is: Na3Ga.
The XRD pattern shows main peaks at: 15.1°(0.2), 22.1°(0.3), 26.3°(0.16), 30.4°(0.24), 32.4°(0.28), 34.6°(1.0), 42.2°(0.09), 43.9°(0.14), 45.0°(0.15), 54.1°(0.17), 59.2°(0.2), 64.4°(0.18), 65.8°(0.13), 84.3°(0.06).
Generate atomic structure description with lattice lengths, angles, coord... | JVASP-101408 | 6.78 6.78 5.53
90 90 120
Na 0.176 0.351 0.250
Na 0.649 0.824 0.250
Na 0.176 0.824 0.250
Na 0.824 0.649 0.750
Na 0.351 0.176 0.750
Na 0.824 0.176 0.750
Ga 0.333 0.667 0.750
Ga 0.667 0.333 0.250 |
Below is a description of a material. | The chemical formula is: VNi3.
The XRD pattern shows main peaks at: 44.1°(1.0), 50.9°(0.16), 51.6°(0.28), 75.5°(0.18), 76.1°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-108054 | 2.50 2.50 7.17
90 90 90
V 0.000 0.000 0.000
Ni 0.500 0.500 0.746
Ni 0.000 0.000 0.500
Ni 0.500 0.500 0.254 |
Below is a description of a material. | The chemical formula is: CaMn2O4.
The XRD pattern shows main peaks at: 18.2°(0.69), 25.4°(0.39), 29.6°(1.0), 31.2°(0.27), 32.9°(0.58), 33.2°(0.45), 37.0°(0.3), 39.3°(0.15), 42.2°(0.68), 42.8°(0.11), 44.8°(0.6), 52.4°(0.49), 54.3°(0.13), 65.0°(0.23), 69.1°(0.17).
Generate atomic structure description with lattice length... | JVASP-137368 | 5.69 7.12 5.69
121 72 121
Ca 0.657 0.750 0.343
Ca 0.407 0.250 0.593
Mn 0.028 0.532 0.537
Mn -0.005 0.032 0.003
Mn -0.003 0.468 0.005
Mn 0.463 -0.032 -0.028
O 0.786 0.513 0.851
O 0.266 0.943 0.724
O 0.149 0.987 0.214
O 0.219 0.443 0.177
O 0.773 0.487 0.338
O 0.662 0.013 0.227
O 0.276 0.557 0.734
O 0.823 0.057 0.781 |
Below is a description of a material. | The chemical formula is: TmB2Rh3.
The XRD pattern shows main peaks at: 19.1°(0.06), 28.4°(0.06), 34.4°(0.92), 38.7°(1.0), 44.3°(0.53), 58.7°(0.11), 60.2°(0.34), 67.2°(0.14), 70.0°(0.19), 72.5°(0.32), 82.9°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-93764 | 3.15 5.38 5.38
60 90 90
Tm 0.500 0.500 0.000
B 0.500 0.167 0.667
B 0.500 0.833 0.333
Rh 0.000 0.000 0.000
Rh 0.000 0.500 0.500
Rh -0.000 0.000 0.500 |
Below is a description of a material. | The chemical formula is: MgAg2O4.
The XRD pattern shows main peaks at: 17.1°(1.0), 28.6°(0.66), 32.4°(0.38), 34.5°(0.51), 35.1°(0.55), 42.2°(0.23), 43.5°(0.38), 52.9°(0.09), 54.1°(0.06), 55.2°(0.42), 57.0°(0.15), 59.1°(0.13), 62.2°(0.08), 63.2°(0.16), 69.3°(0.1), 70.8°(0.09), 72.8°(0.12), 74.1°(0.13), 84.0°(0.06), 86.9... | JVASP-50386 | 5.88 6.92 5.88
64 90 115
Mg 0.000 0.000 0.000
Mg 0.750 0.500 0.750
Ag 0.875 0.250 0.375
Ag 0.375 0.250 0.375
Ag 0.375 0.750 0.375
Ag 0.375 0.750 0.875
O 0.110 0.220 0.158
O 0.640 0.280 0.127
O 0.623 0.780 0.110
O 0.158 0.780 0.110
O 0.640 0.280 0.592
O 0.110 0.220 0.623
O 0.592 0.720 0.640
O 0.127 0.720 0.640 |
Below is a description of a material. | The chemical formula is: CaDyHg2.
The XRD pattern shows main peaks at: 20.7°(0.08), 24.0°(0.13), 34.2°(1.0), 49.1°(0.17), 55.4°(0.06), 61.2°(0.37), 72.0°(0.11), 82.2°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-40100 | 5.24 5.24 5.24
60 60 60
Ca 0.250 0.250 0.250
Dy 0.750 0.750 0.750
Hg 0.000 0.000 0.000
Hg 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: MnWO4.
The XRD pattern shows main peaks at: 15.4°(0.18), 18.8°(0.59), 23.5°(0.56), 24.4°(0.52), 30.0°(1.0), 30.5°(0.98), 31.1°(0.19), 36.0°(0.39), 38.1°(0.19), 40.3°(0.16), 41.1°(0.23), 48.1°(0.13), 51.5°(0.29), 52.6°(0.17), 53.1°(0.21), 53.8°(0.31), 60.5°(0.16), 63.6°(0.16), 64.0°(0.13), 64.5°... | JVASP-151855 | 5.75 4.73 5.02
88 90 90
Mn 0.673 0.500 0.250
Mn 0.327 0.500 0.750
W 0.176 -0.000 0.250
W 0.824 0.000 0.750
O 0.108 0.782 0.935
O 0.108 0.218 0.565
O 0.892 0.218 0.065
O 0.892 0.782 0.435
O 0.377 0.741 0.404
O 0.377 0.259 0.096
O 0.623 0.259 0.596
O 0.623 0.741 0.904 |
Below is a description of a material. | The chemical formula is: Mn2GaCo4Ge.
The XRD pattern shows main peaks at: 44.9°(1.0), 65.4°(0.15), 82.9°(0.27).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-170523 | 4.04 4.04 6.99
73 90 120
Mn 0.876 0.753 0.371
Mn 0.374 0.747 0.879
Ga 0.625 0.250 0.125
Co 0.001 0.002 0.996
Co 0.499 0.998 0.503
Co 0.249 0.498 0.254
Co 0.751 0.502 0.747
Ge 0.125 0.250 0.625 |
Below is a description of a material. | The chemical formula is: Ba4PtRh.
The XRD pattern shows main peaks at: 27.0°(0.28), 31.8°(1.0), 33.3°(0.35), 47.8°(0.11), 50.9°(0.32), 55.7°(0.29), 63.0°(0.05), 65.6°(0.12), 66.5°(0.14), 76.4°(0.06), 78.8°(0.22).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-66128 | 6.60 6.60 6.60
60 60 60
Ba 0.125 0.625 0.625
Ba 0.625 0.625 0.625
Ba 0.625 0.125 0.625
Ba 0.625 0.625 0.125
Pt 0.250 0.250 0.250
Rh 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Pm2MgGe.
The XRD pattern shows main peaks at: 24.0°(0.3), 34.2°(1.0), 42.3°(0.08), 49.2°(0.19), 61.3°(0.39), 72.1°(0.12), 82.3°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-99832 | 5.24 5.24 5.24
60 60 60
Pm 0.250 0.250 0.250
Pm 0.750 0.750 0.750
Mg 0.000 0.000 0.000
Ge 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: BaAl3Zn2.
The XRD pattern shows main peaks at: 20.8°(0.3), 27.2°(0.18), 30.4°(0.59), 35.3°(0.12), 37.1°(1.0), 42.3°(0.16), 52.1°(0.06), 53.0°(0.24), 54.0°(0.11), 56.2°(0.07), 58.5°(0.26), 63.3°(0.14), 67.4°(0.07), 70.9°(0.1), 73.9°(0.12), 79.1°(0.15).
Generate atomic structure description with ... | JVASP-188713 | 5.88 5.88 4.27
90 90 120
Ba 0.000 0.000 0.500
Al 0.500 0.000 -0.000
Al 0.500 0.500 -0.000
Al 0.000 0.500 -0.000
Zn 0.667 0.333 0.500
Zn 0.333 0.667 0.500 |
Below is a description of a material. | The chemical formula is: Mg6NbC.
The XRD pattern shows main peaks at: 14.6°(0.66), 18.4°(0.28), 20.1°(0.15), 22.8°(0.08), 24.9°(0.22), 29.4°(0.12), 30.0°(0.12), 30.6°(0.13), 35.9°(1.0), 36.4°(0.3), 37.3°(0.21), 40.8°(0.21), 43.6°(0.07), 46.6°(0.1), 55.4°(0.1), 56.5°(0.12), 59.6°(0.07), 66.3°(0.08), 71.2°(0.11), 74.8°(0... | JVASP-92867 | 6.21 6.21 4.42
90 90 102
Mg 0.209 0.902 0.250
Mg 0.598 0.291 0.250
Mg 0.701 0.799 0.250
Mg 0.424 0.615 0.750
Mg 0.885 0.076 0.750
Mg 0.914 0.586 0.750
Nb 0.128 0.372 0.250
C 0.140 0.360 0.750 |
Below is a description of a material. | The chemical formula is: Be2CrW.
The XRD pattern shows main peaks at: 23.3°(0.2), 28.5°(1.0), 37.0°(0.13), 44.2°(0.75), 47.7°(0.11), 53.3°(0.16), 58.9°(0.06), 61.6°(0.21), 67.1°(0.09), 71.8°(0.13), 74.3°(0.12), 86.3°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-70377 | 4.52 4.52 4.52
135 135 64
Be 0.000 0.000 0.000
Be 0.250 0.750 0.500
Cr 0.500 0.500 0.000
W 0.750 0.250 0.500 |
Below is a description of a material. | The chemical formula is: InAgPt2.
The XRD pattern shows main peaks at: 27.4°(0.08), 39.1°(1.0), 56.5°(0.17), 70.9°(0.32), 84.0°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-180406 | 4.61 4.61 4.61
60 60 60
In 0.000 0.000 -0.000
Ag 0.500 0.500 0.500
Pt 0.250 0.250 0.250
Pt 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: LuTlS2.
The XRD pattern shows main peaks at: 23.7°(0.34), 27.4°(0.72), 30.7°(1.0), 41.7°(0.44), 46.3°(0.35), 48.6°(0.27), 52.7°(0.26), 54.6°(0.11), 56.6°(0.19), 64.1°(0.2), 69.3°(0.2), 74.3°(0.09), 76.0°(0.17), 82.6°(0.12), 87.5°(0.07).
Generate atomic structure description with lattice lengths... | JVASP-35963 | 3.92 3.92 7.83
75 75 60
Lu 0.000 0.000 0.000
Tl 0.500 0.500 0.500
S 0.732 0.732 0.805
S 0.268 0.268 0.195 |
Below is a description of a material. | The chemical formula is: NdTa2O6.
The XRD pattern shows main peaks at: 11.1°(0.19), 22.3°(0.32), 25.0°(0.16), 31.8°(1.0), 45.6°(0.24), 47.0°(0.07), 51.3°(0.12), 56.6°(0.37), 66.4°(0.15), 75.6°(0.12), 84.2°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-100524 | 3.98 3.98 7.98
90 90 90
Nd 0.500 0.500 0.000
Ta 0.000 0.000 0.259
Ta 0.000 0.000 0.741
O 0.500 0.000 0.218
O 0.500 0.000 0.782
O 0.000 0.500 0.218
O 0.000 0.500 0.782
O 0.000 0.000 0.500
O 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: NaYF.
The XRD pattern shows main peaks at: 21.2°(1.0), 27.9°(0.64), 35.3°(0.56), 37.1°(0.95), 43.1°(0.16), 47.1°(0.9), 52.1°(0.17), 58.1°(0.13), 62.2°(0.11), 65.7°(0.19), 66.9°(0.14), 70.7°(0.22), 74.0°(0.19), 79.0°(0.06), 85.8°(0.13), 86.5°(0.09).
Generate atomic structure description with lat... | JVASP-138898 | 4.85 4.85 3.19
90 90 120
Na 0.333 0.667 0.000
Y 0.667 0.333 0.000
F 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: NaCaTl.
The XRD pattern shows main peaks at: 19.2°(1.0), 24.4°(0.24), 31.3°(0.97), 33.6°(0.66), 39.0°(0.17), 42.0°(0.35), 46.6°(0.34), 50.0°(0.07), 52.4°(0.14), 54.1°(0.13), 58.7°(0.34), 60.1°(0.12), 61.6°(0.23), 65.2°(0.06), 65.9°(0.09), 70.7°(0.05), 75.4°(0.11), 79.3°(0.15), 81.9°(0.15).
Gene... | JVASP-182766 | 5.33 5.33 3.65
90 90 120
Na 0.333 0.667 0.500
Ca -0.000 0.000 -0.000
Tl 0.667 0.333 0.500 |
Below is a description of a material. | The chemical formula is: CeZr3O8.
The XRD pattern shows main peaks at: 29.6°(1.0), 33.8°(0.1), 34.5°(0.17), 49.1°(0.41), 49.6°(0.12), 57.9°(0.16), 58.8°(0.24), 61.4°(0.05), 72.8°(0.06), 79.7°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-142458 | 6.45 6.45 3.68
90 90 110
Ce 0.502 0.498 0.500
Zr 0.997 0.003 0.500
Zr 0.494 0.995 0.000
Zr 0.005 0.506 0.000
O 0.384 0.616 0.000
O 0.902 0.098 0.000
O 0.090 0.390 0.500
O 0.610 0.910 0.500
O 0.346 0.131 0.500
O 0.869 0.654 0.500
O 0.652 0.348 0.000
O 0.148 0.852 0.000 |
Below is a description of a material. | The chemical formula is: Cd3AsI3.
The XRD pattern shows main peaks at: 11.4°(0.12), 22.6°(1.0), 22.9°(0.5), 24.0°(0.7), 25.6°(0.74), 26.7°(0.12), 31.0°(0.11), 32.7°(0.2), 33.2°(0.45), 39.4°(0.45), 40.1°(0.64), 43.2°(0.72), 46.1°(0.15), 46.6°(0.23), 47.1°(0.17), 47.4°(0.17), 52.5°(0.11), 59.9°(0.14), 71.9°(0.11), 74.0°(... | JVASP-53094 | 7.43 4.58 7.75
90 90 90
Cd 0.397 0.500 0.864
Cd 0.958 0.000 0.685
Cd 0.922 0.500 0.118
As 0.053 0.500 0.812
I 0.074 0.000 0.318
I 0.553 0.000 0.668
I 0.552 0.500 0.201 |
Below is a description of a material. | The chemical formula is: InAg3.
The XRD pattern shows main peaks at: 36.9°(1.0), 42.8°(0.47), 62.2°(0.31), 74.5°(0.33), 78.5°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-123338 | 4.22 4.22 4.22
90 90 90
In 0.000 0.000 0.000
Ag 0.000 0.500 0.500
Ag 0.500 0.000 0.500
Ag 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: BaNaTl2.
The XRD pattern shows main peaks at: 19.0°(0.09), 21.9°(0.22), 31.2°(1.0), 38.5°(0.06), 44.8°(0.18), 55.6°(0.3), 65.2°(0.06), 74.0°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-77367 | 14.04 9.93 9.93
33 19 19
Ba 0.500 -0.000 0.000
Na 0.000 0.000 0.000
Tl 0.750 -0.000 -0.000
Tl 0.250 0.000 0.000 |
Below is a description of a material. | The chemical formula is: AgBiSCl2.
The XRD pattern shows main peaks at: 12.8°(0.2), 16.4°(0.34), 24.1°(1.0), 25.1°(0.63), 25.8°(0.18), 27.8°(0.14), 29.4°(0.93), 31.2°(0.62), 33.4°(0.23), 38.7°(0.54), 40.6°(0.3), 41.4°(0.22), 43.1°(0.21), 44.9°(0.86), 49.4°(0.11), 51.6°(0.63), 62.1°(0.11), 62.7°(0.13), 68.2°(0.15), 68.9... | JVASP-29420 | 4.04 7.19 8.73
90 90 106
Ag 0.000 0.000 0.500
Ag 0.000 0.000 0.000
Bi 0.288 0.575 0.750
Bi 0.712 0.425 0.250
S 0.919 0.838 0.750
S 0.081 0.162 0.250
Cl 0.658 0.316 0.564
Cl 0.342 0.684 0.436
Cl 0.342 0.684 0.064
Cl 0.658 0.316 0.936 |
Below is a description of a material. | The chemical formula is: Ba2MoO3.
The XRD pattern shows main peaks at: 26.3°(0.12), 29.7°(0.74), 29.9°(0.89), 31.6°(1.0), 39.9°(0.22), 41.5°(0.19), 44.8°(0.23), 45.6°(0.21), 51.8°(0.3), 54.8°(0.3), 55.4°(0.27), 61.6°(0.11), 62.2°(0.11), 64.1°(0.08), 65.9°(0.14), 73.3°(0.07), 74.3°(0.09), 75.5°(0.08), 79.9°(0.11), 89.0°... | JVASP-180859 | 7.34 7.34 7.34
148 148 45
Ba 0.646 0.646 -0.000
Ba 0.354 0.354 0.000
Mo 0.000 0.000 -0.000
O 0.851 0.851 -0.000
O 0.149 0.149 0.000
O 0.500 0.000 0.500 |
Below is a description of a material. | The chemical formula is: Ti3Ni.
The XRD pattern shows main peaks at: 39.8°(1.0), 46.3°(0.47), 67.6°(0.25), 81.4°(0.3), 85.8°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-37608 | 3.92 3.92 3.92
90 90 90
Ti 0.000 0.500 0.500
Ti 0.500 0.000 0.500
Ti 0.500 0.500 0.000
Ni 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: BaCdSn.
The XRD pattern shows main peaks at: 19.5°(0.3), 22.6°(0.09), 32.1°(1.0), 37.9°(0.15), 46.1°(0.17), 50.5°(0.07), 57.3°(0.34), 61.1°(0.05), 67.2°(0.11), 70.7°(0.05), 76.4°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-66506 | 5.57 5.57 5.57
60 60 60
Ba 0.750 0.750 0.750
Cd 0.000 0.000 0.000
Sn 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: PAuO4.
The XRD pattern shows main peaks at: 20.1°(0.06), 22.5°(0.76), 23.7°(1.0), 30.4°(0.21), 33.5°(0.14), 34.0°(0.15), 38.9°(0.44), 40.8°(0.43), 41.1°(0.28), 45.8°(0.09), 46.3°(0.16), 48.5°(0.09), 49.6°(0.18), 53.6°(0.08), 54.2°(0.07), 55.0°(0.08), 58.3°(0.07), 61.2°(0.14), 64.1°(0.07), 65.1°... | JVASP-166062 | 4.77 4.77 7.89
84 84 68
P 0.922 0.078 0.250
P 0.078 0.922 0.750
Au -0.000 0.500 0.500
Au 0.500 -0.000 0.000
O 0.739 0.220 0.089
O 0.780 0.261 0.411
O 0.261 0.780 0.911
O 0.220 0.739 0.589
O 0.245 0.087 0.219
O 0.913 0.755 0.281
O 0.755 0.913 0.781
O 0.087 0.245 0.719 |
Below is a description of a material. | The chemical formula is: K2TlAgI6.
The XRD pattern shows main peaks at: 14.9°(1.0), 25.9°(0.39), 30.1°(0.95), 33.7°(0.55), 43.0°(0.78), 53.4°(0.25), 62.5°(0.12), 70.9°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-110354 | 8.41 8.41 8.41
60 60 60
K 0.750 0.750 0.750
K 0.250 0.250 0.250
Tl 0.000 0.000 0.000
Ag 0.500 0.500 0.500
I 0.743 0.257 0.257
I 0.257 0.257 0.743
I 0.257 0.743 0.743
I 0.257 0.743 0.257
I 0.743 0.257 0.743
I 0.743 0.743 0.257 |
Below is a description of a material. | The chemical formula is: MgBi2O6.
The XRD pattern shows main peaks at: 22.4°(1.0), 30.8°(0.17), 31.8°(0.62), 33.0°(0.13), 38.4°(0.14), 40.2°(0.15), 45.8°(0.16), 50.0°(0.11), 51.4°(0.26), 53.1°(0.07), 55.4°(0.15), 56.0°(0.09), 57.4°(0.08), 58.3°(0.16), 66.6°(0.08), 69.9°(0.07), 72.5°(0.06), 75.9°(0.06), 78.5°(0.05).
Gen... | JVASP-9224 | 5.81 5.42 7.97
90 89 90
Mg 0.329 0.461 0.750
Mg 0.671 0.961 0.250
Bi 0.761 0.490 0.998
Bi 0.239 0.990 0.002
Bi 0.239 0.990 0.498
Bi 0.761 0.490 0.502
O 0.795 0.322 0.250
O 0.205 0.822 0.750
O 0.085 0.340 0.928
O 0.915 0.840 0.072
O 0.520 0.213 0.585
O 0.520 0.213 0.915
O 0.480 0.713 0.085
O 0.668 0.619 0.750
O 0.915 0.... |
Below is a description of a material. | The chemical formula is: TmI3.
The XRD pattern shows main peaks at: 9.8°(0.73), 16.9°(0.17), 19.6°(0.62), 26.0°(0.19), 30.1°(1.0), 34.3°(0.23), 34.7°(0.27), 35.7°(0.17), 37.5°(0.36), 42.7°(0.22), 43.5°(0.15), 46.2°(0.2), 50.5°(0.11), 52.5°(0.05), 58.7°(0.1), 61.7°(0.07), 65.2°(0.08), 77.6°(0.06).
Generate atomic struct... | JVASP-33824 | 10.46 10.46 3.94
90 90 120
Tm 0.333 0.667 0.750
Tm 0.667 0.333 0.250
I 0.207 0.415 0.250
I 0.585 0.793 0.250
I 0.207 0.793 0.250
I 0.793 0.585 0.750
I 0.415 0.207 0.750
I 0.793 0.207 0.750 |
Below is a description of a material. | The chemical formula is: K2LiLuCl6.
The XRD pattern shows main peaks at: 15.2°(1.0), 17.5°(0.54), 24.9°(0.63), 29.3°(0.69), 30.6°(0.05), 35.5°(0.78), 38.8°(0.27), 39.9°(0.3), 43.9°(0.24), 46.7°(0.06), 51.1°(0.51), 53.6°(0.11), 63.8°(0.17), 75.2°(0.05), 86.0°(0.05).
Generate atomic structure description with lattice len... | JVASP-110658 | 7.15 7.15 7.15
60 60 60
K 0.750 0.750 0.750
K 0.250 0.250 0.250
Li 0.500 0.500 0.500
Lu 0.000 0.000 0.000
Cl 0.747 0.253 0.253
Cl 0.253 0.253 0.747
Cl 0.253 0.747 0.747
Cl 0.253 0.747 0.253
Cl 0.747 0.253 0.747
Cl 0.747 0.747 0.253 |
Below is a description of a material. | The chemical formula is: NaGe.
The XRD pattern shows main peaks at: 16.5°(0.58), 20.9°(1.0), 27.9°(0.21), 30.7°(0.75), 31.6°(0.2), 33.5°(0.07), 39.0°(0.89), 40.6°(0.48), 42.4°(0.09), 45.6°(0.25), 50.6°(0.21), 57.3°(0.2), 61.3°(0.19), 64.1°(0.11), 70.3°(0.1).
Generate atomic structure description with lattice lengths, a... | JVASP-116352 | 3.98 4.64 5.83
113 89 90
Na 0.199 0.161 0.850
Na 0.698 0.450 0.430
Ge 0.198 0.876 0.279
Ge 0.699 0.736 0.002 |
Below is a description of a material. | The chemical formula is: Ba4GeW.
The XRD pattern shows main peaks at: 15.8°(0.11), 18.3°(0.05), 26.0°(0.25), 30.5°(1.0), 31.9°(0.43), 37.0°(0.05), 45.8°(0.12), 48.7°(0.36), 53.4°(0.34), 60.3°(0.05), 62.8°(0.13), 63.6°(0.19), 72.9°(0.06), 75.2°(0.25), 78.9°(0.06), 86.9°(0.08).
Generate atomic structure description with ... | JVASP-66029 | 6.86 6.86 6.86
60 60 60
Ba 0.126 0.625 0.625
Ba 0.625 0.625 0.625
Ba 0.625 0.126 0.625
Ba 0.625 0.625 0.126
Ge 0.250 0.250 0.250
W 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Mn4FeO8.
The XRD pattern shows main peaks at: 18.7°(1.0), 22.0°(0.09), 36.9°(0.21), 38.2°(0.17), 38.9°(0.08), 43.8°(0.36), 44.9°(0.67), 48.2°(0.05), 59.2°(0.08), 63.8°(0.17), 65.2°(0.23), 65.6°(0.09), 81.8°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates a... | JVASP-121932 | 5.73 5.73 5.69
61 61 60
Mn 0.500 0.500 0.500
Mn 0.000 0.000 0.000
Mn -0.000 0.500 -0.000
Mn 0.500 -0.000 -0.000
Fe 0.500 0.500 -0.000
O 0.732 0.732 0.799
O 0.723 0.244 0.777
O 0.244 0.723 0.777
O 0.245 0.245 0.777
O 0.755 0.755 0.223
O 0.756 0.277 0.223
O 0.277 0.756 0.223
O 0.268 0.268 0.201 |
Below is a description of a material. | The chemical formula is: Na4MnO4.
The XRD pattern shows main peaks at: 18.1°(0.69), 19.0°(0.27), 19.9°(0.22), 20.7°(0.37), 22.2°(0.19), 23.5°(0.34), 24.5°(0.23), 25.9°(0.24), 33.3°(0.77), 34.5°(0.44), 34.8°(0.55), 38.2°(1.0), 40.5°(0.27), 41.4°(0.68), 46.1°(0.12), 49.9°(0.14), 53.1°(0.16), 57.2°(0.3), 57.9°(0.32), 58.7... | JVASP-42838 | 5.61 5.83 8.52
78 70 68
Na 0.642 0.002 0.820
Na 0.115 0.505 0.870
Na 0.676 0.553 0.685
Na 0.203 0.050 0.635
Na 0.741 0.043 0.422
Na 0.924 0.530 0.276
Na 0.394 0.025 0.229
Na 0.577 0.512 0.083
Mn 0.007 0.996 0.005
Mn 0.311 0.559 0.500
O 0.862 0.251 0.871
O 0.322 0.784 0.901
O -0.004 0.771 0.604
O 0.456 0.304 0.634
O 0.5... |
Below is a description of a material. | The chemical formula is: AcInAg2.
The XRD pattern shows main peaks at: 20.8°(0.07), 34.2°(1.0), 49.2°(0.17), 61.3°(0.34), 72.1°(0.11), 82.3°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-100707 | 5.24 5.24 5.24
60 60 60
Ac 0.500 0.500 0.500
In 0.000 0.000 0.000
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: Nb2VMo.
The XRD pattern shows main peaks at: 39.8°(1.0), 57.6°(0.16), 72.3°(0.33), 85.9°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-190033 | 3.20 3.20 6.39
90 90 90
Mo 0.500 0.500 0.000
Nb 0.000 -0.000 0.747
Nb -0.000 0.000 0.253
V 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: K5P2Au.
The XRD pattern shows main peaks at: 9.4°(0.88), 18.2°(0.22), 18.9°(0.78), 20.6°(0.1), 23.2°(0.46), 26.4°(0.49), 31.9°(1.0), 33.3°(0.32), 37.3°(0.26), 39.8°(0.12), 41.8°(0.13), 49.8°(0.13), 51.8°(0.12), 53.5°(0.12), 56.8°(0.18), 66.6°(0.11).
Generate atomic structure description with la... | JVASP-11203 | 5.62 5.62 18.76
90 90 119
K 0.000 0.000 0.854
K 0.000 0.000 0.646
K 0.333 0.667 0.750
K 0.000 0.000 0.354
K 0.333 0.667 0.549
K 0.667 0.333 0.250
K 0.667 0.333 0.451
K 0.667 0.333 0.049
K 0.333 0.667 0.951
K 0.000 0.000 0.146
P 0.333 0.667 0.121
P 0.667 0.333 0.621
P 0.667 0.333 0.879
P 0.333 0.667 0.379
Au 0.667 0.333... |
Below is a description of a material. | The chemical formula is: CaGa2Ge2.
The XRD pattern shows main peaks at: 18.4°(0.38), 21.0°(0.28), 32.6°(0.94), 33.7°(0.58), 38.2°(1.0), 42.7°(0.17), 43.9°(0.09), 46.5°(0.65), 51.1°(0.13), 51.8°(0.32), 55.1°(0.34), 58.6°(0.07), 64.3°(0.16), 65.5°(0.36), 66.2°(0.07), 74.8°(0.3), 79.0°(0.09), 81.7°(0.1), 89.7°(0.12).
Gene... | JVASP-155754 | 5.86 5.86 5.86
132 132 69
Ca 0.000 0.000 0.000
Ga 0.372 0.372 -0.000
Ga 0.628 0.628 -0.000
Ge 0.750 0.250 0.500
Ge 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: OF.
The XRD pattern shows main peaks at: 35.5°(1.0), 47.2°(0.74), 60.4°(0.54), 69.0°(0.15), 75.2°(0.05), 80.0°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-135745 | 2.72 2.72 2.53
90 90 90
O 0.000 0.000 0.000
F 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: GaBiS3.
The XRD pattern shows main peaks at: 18.8°(0.17), 26.6°(1.0), 32.8°(0.4), 38.0°(0.48), 42.7°(0.11), 47.1°(0.45), 54.9°(0.36), 58.5°(0.06), 62.0°(0.21), 65.4°(0.15), 68.7°(0.11), 75.1°(0.24), 81.4°(0.05), 87.5°(0.13).
Generate atomic structure description with lattice lengths, angles, co... | JVASP-115669 | 4.73 4.73 4.73
90 90 90
Ga 0.500 0.500 0.500
Bi 0.000 0.000 0.000
S 0.500 0.000 0.500
S 0.500 0.500 0.000
S 0.000 0.500 0.500 |
Below is a description of a material. | The chemical formula is: SiO.
The XRD pattern shows main peaks at: 22.7°(0.09), 29.5°(1.0), 39.9°(0.08), 41.0°(0.12), 44.3°(0.07), 46.4°(0.1), 55.0°(0.11), 55.9°(0.15), 63.7°(0.09), 66.1°(0.16), 86.0°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-34188 | 4.52 4.52 9.58
90 90 120
Si 0.500 -0.000 0.275
Si 0.500 -0.000 0.725
Si -0.000 0.500 0.059
Si -0.000 0.500 0.608
Si 0.500 0.500 0.941
Si 0.500 0.500 0.392
O 0.336 0.168 0.833
O 0.832 0.168 0.167
O 0.832 0.664 0.500
O 0.168 0.336 0.500
O 0.168 0.832 0.167
O 0.664 0.832 0.833 |
Below is a description of a material. | The chemical formula is: Na2SnO3.
The XRD pattern shows main peaks at: 16.2°(0.93), 18.4°(0.17), 19.2°(0.29), 21.3°(0.25), 24.6°(0.18), 28.6°(0.1), 32.5°(0.38), 33.9°(0.63), 39.1°(1.0), 42.5°(0.12), 51.0°(0.14), 55.6°(0.29), 57.1°(0.37), 67.3°(0.08), 71.4°(0.17).
Generate atomic structure description with lattice lengt... | JVASP-163720 | 6.59 5.58 11.06
85 155 106
Na 0.501 0.500 0.001
Na 0.186 0.184 0.343
Na 0.817 0.816 0.659
Na 0.001 0.500 0.001
Sn 0.336 0.835 0.669
Sn 0.667 0.165 0.334
O 0.337 0.133 0.776
O 0.666 0.866 0.226
O 0.199 0.500 0.492
O 0.070 0.866 0.143
O 0.933 0.134 0.860
O 0.804 0.500 0.510 |
Below is a description of a material. | The chemical formula is: Zr2Be2Ga.
The XRD pattern shows main peaks at: 10.0°(0.79), 20.0°(0.19), 30.2°(0.16), 33.5°(0.71), 39.3°(1.0), 40.7°(0.21), 42.6°(0.38), 43.8°(0.15), 47.5°(0.12), 51.5°(0.07), 55.8°(0.07), 60.3°(0.18), 61.8°(0.15), 72.1°(0.15), 75.7°(0.27), 76.6°(0.12).
Generate atomic structure description wit... | JVASP-71908 | 9.12 9.12 9.12
161 161 26
Zr 0.613 0.613 0.000
Zr 0.387 0.387 -0.000
Be 0.750 0.250 0.500
Be 0.250 0.750 0.500
Ga 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: MgSiN2.
The XRD pattern shows main peaks at: 21.6°(0.11), 22.4°(0.12), 32.3°(0.76), 33.8°(0.47), 35.7°(0.82), 37.1°(1.0), 38.3°(0.34), 49.0°(0.27), 50.0°(0.15), 56.8°(0.26), 59.5°(0.47), 65.1°(0.47), 65.9°(0.18), 67.7°(0.09), 68.9°(0.2), 70.6°(0.15), 71.4°(0.34), 73.8°(0.09), 79.0°(0.07).
Gener... | JVASP-9427 | 5.03 5.31 6.49
90 90 90
Mg 0.989 0.584 0.877
Mg 0.489 0.916 0.377
Mg 0.489 0.416 0.123
Mg 0.989 0.084 0.623
Si -0.000 0.071 0.125
Si 0.500 0.929 0.875
Si 0.500 0.429 0.625
Si -0.000 0.571 0.375
N 0.410 0.609 0.845
N 0.910 0.391 0.155
N 0.910 0.891 0.345
N 0.410 0.109 0.655
N 0.347 0.549 0.404
N 0.347 0.049 0.096
N 0.84... |
Below is a description of a material. | The chemical formula is: Rb2NaAlF6.
The XRD pattern shows main peaks at: 21.4°(0.21), 30.5°(1.0), 37.5°(0.59), 43.6°(0.6), 49.1°(0.13), 54.1°(0.39), 63.4°(0.33), 67.7°(0.07), 71.9°(0.21), 76.0°(0.14), 80.1°(0.1), 88.0°(0.22).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types... | JVASP-151604 | 5.87 5.87 5.87
60 60 60
Rb 0.250 0.250 0.250
Rb 0.750 0.750 0.750
Na 0.500 0.500 0.500
Al 0.000 0.000 0.000
F 0.778 0.778 0.222
F 0.222 0.222 0.778
F 0.222 0.778 0.778
F 0.778 0.222 0.222
F 0.222 0.778 0.222
F 0.778 0.222 0.778 |
Below is a description of a material. | The chemical formula is: LaCl2.
The XRD pattern shows main peaks at: 15.9°(1.0), 21.1°(0.47), 22.3°(0.43), 26.6°(0.1), 27.5°(0.11), 31.0°(0.85), 32.1°(0.41), 35.0°(0.52), 38.7°(0.18), 39.4°(0.19), 43.1°(0.17), 45.2°(0.51), 46.2°(0.11), 48.6°(0.11), 49.0°(0.15), 50.8°(0.1), 54.7°(0.12), 56.8°(0.13), 64.5°(0.1).
Generate... | JVASP-136899 | 4.20 3.98 5.58
89 89 90
La 0.862 0.260 0.675
Cl 0.362 0.760 0.675
Cl 0.862 0.258 0.175 |
Below is a description of a material. | The chemical formula is: Hf2Ni2Sn.
The XRD pattern shows main peaks at: 28.3°(0.26), 32.0°(0.15), 36.0°(0.12), 36.9°(0.41), 39.1°(1.0), 40.4°(0.5), 42.7°(0.05), 53.5°(0.1), 54.4°(0.12), 55.2°(0.06), 60.7°(0.15), 62.2°(0.17), 69.9°(0.16), 74.0°(0.08), 78.3°(0.11), 79.9°(0.06).
Generate atomic structure description with ... | JVASP-165194 | 6.74 7.06 7.06
90 90 90
Hf -0.000 0.180 0.180
Hf 0.500 0.320 0.680
Hf 0.500 0.680 0.320
Hf -0.000 0.820 0.820
Hf -0.000 0.347 0.653
Hf 0.500 0.847 0.847
Hf 0.500 0.153 0.153
Hf -0.000 0.653 0.347
Ni 0.283 0.373 0.373
Ni 0.783 0.127 0.873
Ni 0.783 0.873 0.127
Ni 0.283 0.627 0.627
Ni 0.217 0.873 0.127
Ni 0.217 0.127 0.87... |
Below is a description of a material. | The chemical formula is: VWO3.
The XRD pattern shows main peaks at: 23.5°(0.32), 33.5°(1.0), 41.3°(0.24), 48.1°(0.3), 54.2°(0.16), 59.9°(0.38), 70.4°(0.18), 75.4°(0.08), 80.2°(0.15), 85.0°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-184726 | 3.78 3.78 3.78
90 90 90
V 0.500 0.500 0.500
W 0.000 0.000 0.000
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: Mg6CrNi.
The XRD pattern shows main peaks at: 15.8°(0.17), 25.0°(0.08), 27.0°(0.07), 31.3°(0.07), 37.5°(1.0), 38.3°(0.21), 39.0°(0.24), 44.6°(0.07), 52.3°(0.08), 55.8°(0.14), 66.6°(0.06), 67.1°(0.07), 68.7°(0.11), 69.6°(0.14), 80.0°(0.07).
Generate atomic structure description with lattice leng... | JVASP-94100 | 5.86 5.86 4.62
90 90 106
Mg 0.133 0.901 0.250
Mg 0.599 0.367 0.250
Mg 0.619 0.881 0.250
Mg 0.346 0.581 0.750
Mg 0.919 0.154 0.750
Mg 0.871 0.629 0.750
Cr 0.399 0.101 0.750
Ni 0.114 0.386 0.250 |
Below is a description of a material. | The chemical formula is: ZrSnRh.
The XRD pattern shows main peaks at: 34.5°(1.0), 37.3°(0.81), 42.3°(0.56), 44.9°(0.35), 49.9°(0.2), 63.8°(0.16), 67.5°(0.21), 68.9°(0.33), 79.2°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-21016 | 7.40 7.40 7.31
90 90 120
Zr 0.612 0.018 0.250
Zr 0.982 0.594 0.250
Zr 0.406 0.388 0.250
Zr 0.594 0.982 0.750
Zr 0.018 0.612 0.750
Zr 0.388 0.406 0.750
Sn 0.271 -0.000 0.500
Sn -0.000 0.271 0.000
Sn 0.729 0.729 0.000
Sn 0.729 0.729 0.500
Sn -0.000 0.271 0.500
Sn 0.271 -0.000 0.000
Rh 0.333 0.667 0.036
Rh 0.333 0.667 0.4... |
Below is a description of a material. | The chemical formula is: Ba2YNi3O7.
The XRD pattern shows main peaks at: 23.1°(0.06), 32.9°(1.0), 40.6°(0.1), 47.2°(0.11), 58.8°(0.18), 69.1°(0.07), 78.5°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-9216 | 3.83 3.86 11.57
90 90 90
Ba 0.500 0.500 0.820
Ba 0.500 0.500 0.180
Y 0.500 0.500 0.500
Ni 0.000 0.000 0.654
Ni 0.000 0.000 0.346
Ni 0.000 0.000 -0.000
O 0.500 0.000 -0.000
O 0.000 0.500 0.623
O 0.000 0.500 0.377
O 0.500 0.000 0.622
O 0.500 0.000 0.378
O 0.000 0.000 0.834
O 0.000 0.000 0.166 |
Below is a description of a material. | The chemical formula is: UCo2Si2.
The XRD pattern shows main peaks at: 18.6°(0.1), 24.7°(0.68), 32.6°(0.13), 36.5°(0.55), 37.8°(1.0), 46.7°(0.31), 53.6°(0.33), 60.7°(0.26), 61.6°(0.14), 68.2°(0.24), 80.7°(0.21).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-18090 | 3.89 3.89 5.50
110 110 90
U 0.000 0.000 0.000
Co 0.250 0.750 0.500
Co 0.750 0.250 0.500
Si 0.624 0.624 0.247
Si 0.376 0.376 0.753 |
Below is a description of a material. | The chemical formula is: LiVS3.
The XRD pattern shows main peaks at: 14.5°(0.79), 16.9°(0.49), 17.4°(1.0), 17.7°(0.25), 20.8°(0.32), 26.4°(0.2), 28.7°(0.58), 29.6°(0.29), 30.1°(0.17), 34.4°(0.18), 35.5°(0.31), 37.4°(0.39), 41.5°(0.35), 44.2°(0.21), 46.2°(0.13), 48.3°(0.21), 49.4°(0.09), 51.8°(0.28), 52.7°(0.12), 59.7°(... | JVASP-109009 | 5.74 6.35 6.64
110 91 115
Li 0.519 0.708 0.832
Li 0.481 0.292 0.168
V 0.771 0.065 0.573
V 0.229 0.935 0.427
S 0.069 0.435 0.857
S 0.553 0.957 0.237
S 0.170 0.250 0.423
S 0.830 0.750 0.577
S 0.447 0.043 0.763
S 0.931 0.565 0.143 |
Below is a description of a material. | The chemical formula is: YbMg2.
The XRD pattern shows main peaks at: 17.7°(0.67), 29.1°(1.0), 34.3°(0.97), 41.6°(0.09), 51.6°(0.41), 60.4°(0.2).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-106399 | 6.13 6.13 6.13
60 60 59
Yb 0.250 0.250 0.250
Yb 0.000 0.000 0.000
Mg 0.625 0.125 0.625
Mg 0.625 0.625 0.625
Mg 0.125 0.625 0.625
Mg 0.625 0.625 0.125 |
Below is a description of a material. | The chemical formula is: TbAl2Ir2.
The XRD pattern shows main peaks at: 15.2°(0.21), 23.8°(0.21), 32.3°(1.0), 35.7°(0.34), 45.1°(0.7), 46.1°(0.39), 52.5°(0.05), 57.4°(0.34), 63.7°(0.06), 66.4°(0.37), 67.2°(0.14), 73.2°(0.11), 76.5°(0.16), 78.5°(0.06), 82.2°(0.12), 84.6°(0.15).
Generate atomic structure description with... | JVASP-155498 | 6.47 6.47 6.47
144 144 51
Tb 0.000 0.000 0.000
Al 0.750 0.250 0.500
Al 0.250 0.750 0.500
Ir 0.385 0.385 0.000
Ir 0.615 0.615 0.000 |
Below is a description of a material. | The chemical formula is: YbAlPd.
The XRD pattern shows main peaks at: 16.7°(0.15), 22.2°(0.11), 24.0°(0.11), 25.5°(0.1), 27.2°(0.22), 27.6°(0.12), 33.5°(0.65), 35.1°(1.0), 35.9°(0.27), 39.9°(0.15), 42.1°(0.21), 43.3°(0.29), 44.6°(0.21), 51.7°(0.15), 52.2°(0.17), 57.5°(0.14), 63.9°(0.15), 68.0°(0.12), 69.7°(0.12), 74.1°... | JVASP-152180 | 4.18 7.07 8.02
90 90 90
Yb 0.250 0.035 0.327
Yb 0.750 0.465 0.827
Yb 0.750 0.965 0.673
Yb 0.250 0.535 0.173
Al 0.250 0.134 0.941
Al 0.750 0.366 0.441
Al 0.750 0.866 0.059
Al 0.250 0.634 0.559
Pd 0.250 0.274 0.628
Pd 0.750 0.226 0.128
Pd 0.750 0.726 0.372
Pd 0.250 0.774 0.872 |
Below is a description of a material. | The chemical formula is: TaTi2Hg.
The XRD pattern shows main peaks at: 27.0°(0.45), 38.5°(1.0), 47.7°(0.14), 55.6°(0.14), 62.9°(0.17), 69.7°(0.32), 82.6°(0.09), 88.8°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-189985 | 3.31 3.31 6.60
90 90 90
Ti -0.000 -0.000 0.771
Ti 0.000 0.000 0.229
Hg 0.500 0.500 0.500
Ta 0.500 0.500 -0.000 |
Below is a description of a material. | The chemical formula is: HfC.
The XRD pattern shows main peaks at: 30.9°(1.0), 44.3°(0.94), 55.0°(0.27), 64.4°(0.15), 73.2°(0.32), 81.5°(0.33).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-35998 | 2.89 2.89 2.89
90 90 90
Hf 0.000 0.000 0.000
C 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Sn4P3.
The XRD pattern shows main peaks at: 26.0°(0.14), 28.4°(0.32), 29.6°(0.17), 30.9°(1.0), 43.5°(0.27), 45.0°(0.39), 54.0°(0.05), 54.8°(0.18), 55.6°(0.19), 74.2°(0.17), 83.0°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-8654 | 12.30 12.30 12.30
18 18 18
Sn 0.710 0.710 0.710
Sn 0.290 0.290 0.290
Sn 0.867 0.867 0.867
Sn 0.133 0.133 0.133
P 0.000 0.000 0.000
P 0.571 0.571 0.571
P 0.429 0.429 0.429 |
Below is a description of a material. | The chemical formula is: Lu5NiPb3.
The XRD pattern shows main peaks at: 27.3°(0.18), 30.6°(0.19), 33.6°(1.0), 34.0°(0.8), 34.8°(0.37), 36.0°(0.07), 42.8°(0.09), 44.5°(0.16), 49.5°(0.15), 52.4°(0.28), 54.4°(0.09), 56.3°(0.11), 59.8°(0.08), 67.0°(0.17), 67.9°(0.11), 80.5°(0.08).
Generate atomic structure description with... | JVASP-86183 | 8.92 8.92 6.54
90 90 120
Lu 0.237 0.000 0.250
Lu 0.763 0.763 0.250
Lu 0.237 0.237 0.750
Lu -0.000 0.763 0.750
Lu 0.667 0.333 0.000
Lu 0.333 0.667 0.000
Lu 0.333 0.667 0.500
Lu 0.000 0.237 0.250
Lu 0.763 0.000 0.750
Lu 0.667 0.333 0.500
Ni 0.000 0.000 0.000
Ni 0.000 0.000 0.500
Pb -0.000 0.600 0.250
Pb 0.400 0.000 0.750... |
Below is a description of a material. | The chemical formula is: KNa2Be.
The XRD pattern shows main peaks at: 20.3°(0.15), 22.7°(0.18), 24.9°(0.54), 30.6°(1.0), 32.2°(0.54), 38.4°(0.29), 45.1°(0.25), 46.3°(0.18), 47.6°(0.05), 52.2°(0.05), 53.2°(0.12), 56.5°(0.36), 57.7°(0.08), 61.7°(0.08), 62.8°(0.09), 67.5°(0.06), 72.3°(0.05), 75.9°(0.09), 76.8°(0.11), 84.9... | JVASP-70761 | 3.93 3.93 8.75
90 90 90
K 0.500 0.500 0.697
Na 0.000 0.000 0.062
Na 0.500 0.500 0.304
Be 0.000 0.000 0.437 |
Below is a description of a material. | The chemical formula is: TlCr3O8.
The XRD pattern shows main peaks at: 11.4°(0.12), 19.2°(0.5), 20.9°(0.59), 22.9°(1.0), 29.2°(0.77), 31.0°(0.44), 32.6°(0.32), 34.7°(0.14), 35.6°(0.44), 38.6°(0.17), 40.2°(0.35), 40.9°(0.14), 44.5°(0.11), 46.9°(0.2), 48.1°(0.13), 56.1°(0.13), 56.7°(0.11), 58.0°(0.12), 60.7°(0.11), 61.9°... | JVASP-57360 | 5.08 5.08 7.79
95 95 65
Tl 0.000 0.000 0.000
Cr 0.378 0.378 0.700
Cr 0.622 0.622 0.300
Cr 0.000 -0.000 0.500
O 0.740 0.234 0.677
O 0.766 0.260 0.323
O 0.224 0.224 0.551
O 0.776 0.776 0.449
O 0.325 0.325 0.895
O 0.675 0.675 0.105
O 0.260 0.766 0.323
O 0.234 0.740 0.677 |
Below is a description of a material. | The chemical formula is: SrAgSb.
The XRD pattern shows main peaks at: 27.3°(0.05), 32.7°(1.0), 33.3°(0.92), 43.1°(0.08), 47.3°(0.35), 56.3°(0.07), 58.3°(0.2), 58.7°(0.34), 66.6°(0.27), 68.4°(0.12), 78.2°(0.15), 85.4°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-13854 | 5.48 5.48 6.54
90 90 120
Sr 0.667 0.333 0.750
Sr 0.333 0.667 0.250
Ag 0.000 0.000 0.000
Ag 0.000 0.000 0.500
Sb 0.333 0.667 0.750
Sb 0.667 0.333 0.250 |
Below is a description of a material. | The chemical formula is: NiBi.
The XRD pattern shows main peaks at: 29.9°(1.0), 33.9°(0.08), 42.4°(0.35), 43.3°(0.43), 53.6°(0.21), 56.1°(0.12), 58.3°(0.15), 62.2°(0.12), 71.3°(0.2), 75.3°(0.08), 78.8°(0.11), 79.5°(0.08), 87.3°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and a... | JVASP-37133 | 4.18 4.18 5.29
90 90 119
Ni 0.000 0.000 0.500
Ni 0.000 0.000 0.000
Bi 0.333 0.667 0.250
Bi 0.667 0.333 0.750 |
Below is a description of a material. | The chemical formula is: NeK3.
The XRD pattern shows main peaks at: 24.3°(1.0), 28.1°(0.55), 40.1°(0.38), 47.4°(0.42), 49.7°(0.13), 58.0°(0.05), 63.8°(0.16), 65.7°(0.15), 72.9°(0.1), 78.1°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-125865 | 6.36 6.36 6.36
90 90 90
Ne 0.000 0.000 0.000
K 0.000 0.500 0.500
K 0.500 0.000 0.500
K 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: Dy4CrSe7.
The XRD pattern shows main peaks at: 18.0°(0.17), 23.7°(1.0), 27.2°(0.18), 30.7°(0.76), 31.2°(0.7), 32.2°(0.73), 33.7°(0.69), 34.8°(0.16), 35.4°(0.39), 37.8°(0.21), 39.2°(0.23), 40.0°(0.16), 41.1°(0.5), 42.9°(0.17), 43.9°(0.2), 44.4°(0.19), 45.5°(0.25), 45.9°(0.54), 46.4°(0.4), 67.3°(... | JVASP-133471 | 6.78 6.78 11.96
74 74 33
Dy 0.686 0.686 0.220
Dy 0.300 0.300 0.808
Dy 0.992 0.992 0.006
Dy 0.120 0.120 0.565
Cr 0.889 0.889 0.424
Se 0.752 0.752 0.636
Se 0.278 0.278 0.354
Se 0.328 0.328 0.056
Se 0.653 0.653 0.949
Se 0.027 0.027 0.226
Se 0.963 0.963 0.782
Se 0.512 0.512 0.474 |
Below is a description of a material. | The chemical formula is: CrHO2.
The XRD pattern shows main peaks at: 27.5°(1.0), 35.2°(0.21), 36.5°(0.6), 41.0°(0.16), 42.4°(0.1), 52.8°(0.32), 55.6°(0.46), 56.7°(0.17), 60.7°(0.11), 62.1°(0.11), 65.2°(0.17), 67.5°(0.07), 69.2°(0.12), 84.2°(0.07), 89.0°(0.08), 89.5°(0.06).
Generate atomic structure description with lat... | JVASP-106390 | 2.99 4.34 4.89
90 90 90
Cr 0.500 0.265 0.485
Cr 0.000 0.735 0.985
H 0.500 0.204 0.967
H 0.000 0.796 0.467
O 0.000 0.511 0.632
O 0.500 0.489 0.132
O 0.500 0.010 0.839
O 0.000 0.990 0.339 |
Below is a description of a material. | The chemical formula is: ArBr3.
The XRD pattern shows main peaks at: 9.1°(0.84), 26.4°(0.69), 27.9°(0.14), 29.9°(1.0), 32.6°(0.4), 35.8°(0.16), 36.8°(0.09), 39.3°(0.25), 43.8°(0.13), 45.8°(0.16), 46.5°(0.08), 48.8°(0.23), 50.6°(0.11), 51.8°(0.14), 53.6°(0.08), 54.2°(0.17), 55.1°(0.07), 55.6°(0.09), 62.1°(0.1), 70.4°(0.... | JVASP-125181 | 3.97 3.97 9.82
86 86 116
Ar 0.250 0.250 0.125
Br 0.250 0.250 0.625
Br 0.690 0.690 0.428
Br 0.810 0.810 0.822 |
Below is a description of a material. | The chemical formula is: Na2Cu2TeO6.
The XRD pattern shows main peaks at: 16.4°(1.0), 19.6°(0.17), 26.2°(0.11), 30.6°(0.19), 33.1°(0.17), 33.8°(0.15), 35.1°(0.18), 35.6°(0.23), 36.0°(0.36), 42.0°(0.47), 43.4°(0.1), 47.4°(0.06), 54.1°(0.12), 56.0°(0.16), 57.0°(0.15), 58.1°(0.07), 61.3°(0.07), 63.7°(0.09), 64.5°(0.06), 7... | JVASP-34256 | 5.27 5.27 5.98
103 103 112
Na 0.816 0.184 0.500
Na 0.184 0.816 0.500
Cu 0.336 0.664 0.000
Cu 0.664 0.336 -0.000
Te 0.000 0.000 0.000
O 0.757 0.757 0.162
O 0.025 0.354 0.218
O 0.243 0.243 0.838
O 0.354 0.025 0.218
O 0.975 0.646 0.782
O 0.646 0.975 0.782 |
Below is a description of a material. | The chemical formula is: Fe3O5F.
The XRD pattern shows main peaks at: 29.2°(1.0), 37.6°(0.58), 41.8°(0.1), 43.2°(0.16), 57.5°(0.55), 60.6°(0.16), 68.7°(0.09), 73.6°(0.17), 88.4°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-140614 | 4.32 4.32 8.63
90 90 90
Fe 0.012 0.745 0.674
Fe 0.977 0.724 0.000
Fe 0.012 0.745 0.326
Fe 0.512 0.255 0.826
Fe 0.477 0.276 0.500
Fe 0.512 0.255 0.174
O 0.805 0.941 0.165
O 0.805 0.941 0.835
O 0.305 0.059 0.335
O 0.305 0.059 0.665
O 0.698 0.451 0.335
O 0.190 0.565 0.500
O 0.698 0.451 0.665
O 0.198 0.549 0.165
O 0.198 0.... |
Below is a description of a material. | The chemical formula is: Ar3In.
The XRD pattern shows main peaks at: 16.3°(0.28), 23.1°(0.27), 28.4°(1.0), 32.9°(0.5), 36.9°(0.17), 40.6°(0.12), 47.2°(0.34), 50.2°(0.09), 53.2°(0.06), 56.0°(0.38), 58.7°(0.11), 63.9°(0.07), 71.4°(0.05), 76.2°(0.14), 78.5°(0.14), 87.8°(0.1).
Generate atomic structure description with lat... | JVASP-125031 | 5.45 5.45 5.45
90 90 90
Ar 0.000 0.500 0.500
Ar 0.500 0.000 0.500
Ar 0.500 0.500 0.000
In 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Zr2Hg.
The XRD pattern shows main peaks at: 14.8°(0.13), 27.6°(0.12), 34.9°(1.0), 38.0°(0.39), 45.3°(0.12), 54.8°(0.14), 60.5°(0.18), 66.6°(0.29), 73.7°(0.11), 76.9°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-185741 | 3.35 3.35 6.46
105 105 90
Zr 0.665 0.665 0.329
Zr 0.335 0.335 0.671
Hg 0.000 0.000 0.000 |
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