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: NaBeH3.
The XRD pattern shows main peaks at: 26.8°(0.37), 38.2°(1.0), 47.3°(0.17), 55.1°(0.19), 62.3°(0.15), 69.1°(0.27), 81.8°(0.09), 87.9°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-134048 | 3.33 3.33 3.33
90 90 90
Na 0.500 0.500 0.500
Be 0.000 0.000 0.000
H 0.500 0.000 0.000
H 0.000 0.500 0.000
H 0.000 0.000 0.500 |
Below is a description of a material. | The chemical formula is: HfTiO4.
The XRD pattern shows main peaks at: 15.7°(0.32), 23.5°(0.09), 24.5°(0.28), 25.7°(0.32), 30.2°(1.0), 31.6°(0.08), 35.1°(0.15), 36.3°(0.2), 37.0°(0.1), 38.1°(0.1), 38.7°(0.09), 41.2°(0.09), 43.3°(0.1), 52.2°(0.15), 52.8°(0.18), 53.6°(0.24), 60.0°(0.14), 64.0°(0.14), 64.5°(0.15), 81.5°(0.... | JVASP-111817 | 4.72 5.11 5.66
90 90 90
Hf 0.000 0.000 0.081
Hf 0.500 0.500 0.919
Ti 0.000 0.500 0.427
Ti 0.500 0.000 0.573
O 0.720 0.161 0.854
O 0.780 0.661 0.146
O 0.220 0.339 0.146
O 0.280 0.839 0.854
O 0.265 0.325 0.626
O 0.235 0.825 0.374
O 0.765 0.175 0.374
O 0.735 0.675 0.626 |
Below is a description of a material. | The chemical formula is: SbBr3.
The XRD pattern shows main peaks at: 14.0°(0.79), 17.8°(0.34), 22.9°(0.47), 24.0°(0.31), 27.0°(0.85), 28.6°(1.0), 29.7°(0.39), 30.5°(0.98), 31.3°(0.98), 33.7°(0.4), 34.4°(0.32), 35.1°(0.67), 36.2°(0.23), 36.7°(0.5), 37.3°(0.38), 49.1°(0.24), 52.2°(0.4), 53.5°(0.49), 55.6°(0.3), 59.2°(0.2... | JVASP-154540 | 4.22 9.94 12.62
90 90 90
Sb 0.704 0.500 0.018
Sb 0.204 -0.000 0.982
Sb 0.796 0.500 0.518
Sb 0.296 0.000 0.482
Br 0.033 0.500 0.845
Br 0.533 0.000 0.155
Br 0.467 0.500 0.345
Br 0.967 -0.000 0.655
Br 0.039 0.317 0.116
Br 0.539 0.183 0.884
Br 0.461 0.683 0.616
Br 0.961 0.817 0.384
Br 0.039 0.683 0.116
Br 0.539 0.817 0.884... |
Below is a description of a material. | The chemical formula is: KHg5Cl11.
The XRD pattern shows main peaks at: 15.2°(1.0), 17.2°(0.13), 20.0°(0.2), 20.8°(0.42), 21.3°(0.42), 23.5°(0.37), 27.8°(0.23), 28.4°(0.25), 30.1°(0.56), 30.7°(0.89), 32.3°(0.21), 33.9°(0.26), 34.9°(0.2), 36.8°(0.22), 38.5°(0.2), 41.3°(0.14), 46.6°(0.12), 48.4°(0.29), 50.0°(0.14), 54.0°... | JVASP-146032 | 9.13 9.13 6.45
72 72 100
K 0.000 0.000 0.000
Hg 0.355 0.016 0.313
Hg 0.645 0.984 0.687
Hg 0.984 0.645 0.687
Hg 0.016 0.355 0.313
Hg 0.500 0.500 -0.000
Cl 0.415 0.170 0.915
Cl 0.585 0.830 0.085
Cl 0.000 0.000 0.500
Cl 0.146 0.703 0.291
Cl 0.703 0.146 0.291
Cl 0.297 0.854 0.709
Cl 0.170 0.415 0.915
Cl 0.351 0.351 0.401
C... |
Below is a description of a material. | The chemical formula is: ArLa3.
The XRD pattern shows main peaks at: 6.4°(1.0), 25.9°(0.2), 29.0°(0.42), 31.2°(0.69), 32.5°(0.13), 34.5°(0.35), 38.7°(0.18), 50.1°(0.18), 57.2°(0.13), 59.0°(0.06), 60.2°(0.1), 61.0°(0.13), 62.3°(0.06), 82.1°(0.08).
Generate atomic structure description with lattice lengths, angles, coord... | JVASP-126131 | 3.64 3.64 13.78
90 90 119
Ar 0.000 0.000 0.000
La 0.000 0.000 0.500
La 0.667 0.333 0.712
La 0.333 0.667 0.288 |
Below is a description of a material. | The chemical formula is: Sc2AgAu.
The XRD pattern shows main peaks at: 22.7°(0.11), 26.2°(0.39), 37.4°(1.0), 44.2°(0.07), 46.3°(0.13), 54.0°(0.19), 61.0°(0.17), 67.6°(0.34), 79.9°(0.11), 85.8°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-41980 | 4.80 4.80 4.80
60 60 60
Sc 0.000 0.000 0.000
Sc 0.500 0.500 0.500
Ag 0.250 0.250 0.250
Au 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: BeSbBr2.
The XRD pattern shows main peaks at: 18.5°(0.34), 28.0°(0.24), 33.8°(1.0), 37.6°(0.38), 42.5°(0.13), 46.7°(0.07), 47.5°(0.12), 54.2°(0.13), 58.0°(0.21), 61.4°(0.06), 65.4°(0.28), 71.2°(0.11), 72.2°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates a... | JVASP-75016 | 4.79 4.79 4.26
90 90 90
Be 0.000 0.000 0.500
Sb 0.500 0.500 0.500
Br 0.500 0.000 0.000
Br 0.000 0.500 0.000 |
Below is a description of a material. | The chemical formula is: SiHI.
The XRD pattern shows main peaks at: 10.5°(1.0), 21.2°(0.52), 29.5°(0.49), 31.4°(0.33), 32.0°(0.11), 36.6°(0.48), 42.1°(0.18), 43.1°(0.07), 43.6°(0.13), 44.0°(0.18), 47.6°(0.25), 53.1°(0.13), 53.9°(0.09), 61.9°(0.08), 63.3°(0.08), 65.4°(0.09), 69.3°(0.09), 70.3°(0.07), 73.4°(0.13), 85.2°(... | JVASP-118431 | 3.03 3.03 8.40
90 90 90
Si 0.000 0.000 0.056
H 0.000 0.000 0.238
I 0.000 0.000 0.608 |
Below is a description of a material. | The chemical formula is: NiBIr.
The XRD pattern shows main peaks at: 30.3°(0.52), 35.1°(1.0), 50.5°(0.8), 60.1°(0.23), 63.0°(0.24), 74.3°(0.12), 82.3°(0.1), 84.9°(0.33).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-156394 | 3.61 3.61 3.61
60 60 60
Ni 0.750 0.750 0.750
B 0.000 0.000 0.000
Ir 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: LiBe2Mo.
The XRD pattern shows main peaks at: 27.9°(1.0), 28.9°(0.23), 33.9°(0.31), 45.1°(0.39), 48.7°(0.16), 50.6°(0.18), 57.0°(0.26), 57.6°(0.13), 70.7°(0.06), 71.3°(0.05), 72.9°(0.11), 78.7°(0.05), 80.7°(0.07), 88.5°(0.12).
Generate atomic structure description with lattice lengths, angles, ... | JVASP-74638 | 4.07 4.07 4.07
125 125 81
Li 0.500 0.500 0.000
Be 0.000 0.000 0.000
Be 0.250 0.750 0.500
Mo 0.750 0.250 0.500 |
Below is a description of a material. | The chemical formula is: Mg2BiAsO6.
The XRD pattern shows main peaks at: 13.3°(0.54), 21.7°(0.41), 22.4°(0.36), 29.4°(1.0), 31.4°(0.89), 32.8°(0.22), 35.5°(0.15), 36.9°(0.11), 38.2°(0.15), 40.1°(0.13), 43.9°(0.16), 48.5°(0.17), 50.5°(0.16), 51.2°(0.37), 56.0°(0.19), 56.5°(0.16), 57.7°(0.17), 61.6°(0.19), 65.2°(0.14), 6... | JVASP-57184 | 5.46 7.34 7.34
114 90 90
Mg 0.250 0.286 0.104
Mg 0.750 0.104 0.286
Mg 0.250 0.896 0.714
Mg 0.750 0.714 0.896
Bi 0.250 0.405 0.595
Bi 0.750 0.595 0.405
As 0.250 0.802 0.198
As 0.750 0.198 0.802
O 0.493 0.116 0.884
O 0.500 0.329 0.329
O 0.750 0.093 0.549
O 0.500 0.671 0.671
O 0.000 0.329 0.329
O 0.250 0.549 0.093
O 0.250... |
Below is a description of a material. | The chemical formula is: ZrCoF6.
The XRD pattern shows main peaks at: 22.0°(1.0), 31.3°(0.27), 44.8°(0.28), 50.4°(0.41), 55.6°(0.1), 65.2°(0.16), 69.7°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-34485 | 5.72 5.72 5.72
60 60 60
Zr 0.500 0.500 0.500
Co 0.000 0.000 0.000
F 0.250 0.750 0.750
F 0.250 0.750 0.250
F 0.750 0.250 0.250
F 0.750 0.750 0.250
F 0.250 0.250 0.750
F 0.750 0.250 0.750 |
Below is a description of a material. | The chemical formula is: AcLa.
The XRD pattern shows main peaks at: 14.3°(0.07), 26.4°(0.29), 28.8°(0.27), 30.2°(1.0), 39.5°(0.2), 46.6°(0.21), 51.9°(0.24), 55.7°(0.25), 56.5°(0.18), 72.3°(0.09), 76.2°(0.16), 78.9°(0.09), 83.0°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and a... | JVASP-110740 | 3.90 3.90 6.20
90 90 120
Ac 0.000 0.000 0.500
La 0.667 0.333 0.000 |
Below is a description of a material. | The chemical formula is: LiMnIr2.
The XRD pattern shows main peaks at: 30.4°(0.71), 43.5°(1.0), 54.0°(0.2), 63.3°(0.15), 71.8°(0.26), 79.9°(0.35).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-109991 | 4.16 4.16 4.16
60 60 60
Li 0.500 0.500 0.500
Mn 0.000 0.000 0.000
Ir 0.250 0.250 0.250
Ir 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: BaZn2Ge2.
The XRD pattern shows main peaks at: 27.4°(0.18), 32.0°(0.78), 32.3°(1.0), 39.2°(0.73), 44.2°(0.14), 47.3°(0.27), 51.5°(0.37), 56.6°(0.22), 59.7°(0.16), 63.1°(0.22), 66.7°(0.25), 71.4°(0.06), 74.5°(0.06), 76.8°(0.06), 80.0°(0.1), 84.6°(0.15), 86.9°(0.11).
Generate atomic structure des... | JVASP-182478 | 6.21 6.21 6.21
136 136 63
Ba -0.000 -0.000 -0.000
Zn 0.250 0.750 0.500
Zn 0.750 0.250 0.500
Ge 0.624 0.624 -0.000
Ge 0.376 0.376 0.000 |
Below is a description of a material. | The chemical formula is: SmAl4Ni.
The XRD pattern shows main peaks at: 11.3°(0.18), 17.5°(0.67), 22.4°(0.41), 26.4°(0.14), 26.9°(0.4), 27.6°(0.21), 30.8°(0.87), 35.2°(1.0), 36.0°(0.47), 37.0°(0.51), 38.6°(0.39), 38.9°(0.32), 42.5°(0.14), 44.1°(0.59), 50.0°(0.3), 54.3°(0.18), 55.4°(0.15), 58.8°(0.27), 64.1°(0.15), 64.5°... | JVASP-21741 | 4.11 6.64 8.11
90 104 90
Sm 0.385 0.750 0.771
Sm 0.615 0.250 0.229
Al 0.000 0.500 0.000
Al 0.000 0.000 0.000
Al 0.578 0.750 0.156
Al 0.422 0.250 0.844
Al 0.810 0.052 0.619
Al 0.190 0.948 0.381
Al 0.190 0.552 0.381
Al 0.810 0.448 0.619
Ni 0.725 0.750 0.451
Ni 0.275 0.250 0.549 |
Below is a description of a material. | The chemical formula is: BaSiBi2.
The XRD pattern shows main peaks at: 20.7°(0.35), 24.3°(0.31), 25.3°(0.07), 29.5°(0.81), 33.0°(1.0), 38.4°(0.08), 39.3°(0.1), 42.2°(0.31), 47.4°(0.09), 49.2°(0.23), 54.5°(0.48), 58.4°(0.1), 61.1°(0.13), 69.3°(0.16), 70.5°(0.1), 71.3°(0.11), 74.6°(0.06), 82.2°(0.08), 85.7°(0.13), 86.4°(... | JVASP-65700 | 4.29 4.29 7.03
90 90 90
Ba 0.500 0.500 0.500
Si 0.500 0.500 0.000
Bi 0.000 0.000 0.787
Bi 0.000 0.000 0.213 |
Below is a description of a material. | The chemical formula is: RbMgCl3.
The XRD pattern shows main peaks at: 26.0°(0.51), 32.0°(1.0), 37.1°(0.83), 45.9°(0.22), 53.5°(0.52), 60.4°(0.1), 63.7°(0.35), 66.9°(0.17), 73.1°(0.11), 79.0°(0.07), 84.9°(0.06), 87.8°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-136382 | 4.85 4.85 4.85
90 90 90
Rb 0.000 0.000 0.000
Mg 0.500 0.500 0.500
Cl 0.000 0.500 0.500
Cl 0.500 0.000 0.500
Cl 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: YSbRh2.
The XRD pattern shows main peaks at: 30.9°(1.0), 33.5°(0.39), 44.2°(0.31), 46.2°(0.7), 56.6°(0.32), 64.3°(0.13), 73.0°(0.1), 74.5°(0.17), 82.8°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-81711 | 10.68 6.08 6.08
39 28 28
Y 0.000 0.000 0.000
Sb 0.500 -0.000 0.000
Rh 0.744 0.000 0.000
Rh 0.256 -0.000 -0.000 |
Below is a description of a material. | The chemical formula is: TaGa2Cu.
The XRD pattern shows main peaks at: 22.4°(0.17), 23.4°(0.06), 31.9°(0.06), 32.7°(0.12), 40.0°(1.0), 45.8°(0.32), 47.9°(0.15), 57.3°(0.06), 66.7°(0.11), 68.4°(0.2), 80.7°(0.26), 83.9°(0.12), 86.2°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-190085 | 3.80 3.97 3.97
90 90 90
Cu 0.500 0.000 -0.000
Ga -0.000 0.000 0.500
Ga -0.000 0.500 -0.000
Ta 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: SrFe3Bi2O9.
The XRD pattern shows main peaks at: 13.3°(0.13), 18.8°(0.07), 23.1°(0.2), 32.9°(1.0), 35.6°(0.07), 40.6°(0.18), 47.2°(0.28), 58.8°(0.36), 69.0°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-112346 | 5.44 5.44 6.66
90 90 120
Sr 0.000 0.000 0.500
Fe 0.667 0.333 0.350
Fe 0.333 0.667 0.650
Fe 0.000 0.000 0.000
Bi 0.667 0.333 0.872
Bi 0.333 0.667 0.128
O 0.830 0.170 0.155
O 0.500 0.500 0.500
O 0.170 0.830 0.845
O -0.000 0.500 0.500
O 0.659 0.830 0.845
O 0.341 0.170 0.155
O 0.830 0.659 0.155
O 0.500 0.000 0.500
O 0.170 ... |
Below is a description of a material. | The chemical formula is: Li3MnCo3O8.
The XRD pattern shows main peaks at: 18.8°(1.0), 37.3°(0.31), 38.8°(0.08), 44.7°(0.2), 45.2°(0.4), 49.0°(0.07), 58.7°(0.05), 59.4°(0.09), 64.7°(0.11), 65.5°(0.05), 66.1°(0.17), 83.3°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom type... | JVASP-47887 | 5.65 5.65 5.77
120 90 60
Li 0.000 0.000 0.500
Li 0.500 0.000 0.500
Li 0.500 0.500 0.500
Mn 0.000 0.000 0.000
Co 0.000 0.500 0.000
Co 0.500 -0.000 0.000
Co 0.500 0.500 0.000
O 0.239 0.017 0.778
O 0.240 0.521 0.784
O 0.267 0.477 0.210
O 0.737 0.025 0.784
O 0.263 0.975 0.216
O 0.733 0.523 0.790
O 0.760 0.479 0.216
O 0.761... |
Below is a description of a material. | The chemical formula is: Ca3BiSb.
The XRD pattern shows main peaks at: 15.2°(0.22), 21.6°(1.0), 30.7°(0.56), 34.4°(0.12), 37.8°(0.47), 44.0°(0.4), 46.8°(0.07), 49.5°(0.24), 54.6°(0.14), 59.4°(0.27), 63.9°(0.06), 68.3°(0.13), 72.6°(0.18), 76.8°(0.06), 80.9°(0.12), 84.9°(0.16).
Generate atomic structure description with ... | JVASP-36495 | 5.82 5.82 5.82
90 90 90
Ca 0.000 0.500 0.500
Ca 0.500 0.000 0.500
Ca 0.500 0.500 0.000
Bi 0.500 0.500 0.500
Sb 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Mg3PdPt2.
The XRD pattern shows main peaks at: 8.4°(0.17), 25.5°(0.44), 29.7°(0.58), 39.6°(1.0), 42.5°(0.4), 50.3°(0.27), 61.7°(0.14), 67.9°(0.12), 70.0°(0.11), 75.8°(0.28).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-194693 | 3.01 3.01 10.48
90 90 90
Mg -0.000 0.000 -0.000
Mg -0.000 -0.000 0.667
Mg 0.000 0.000 0.333
Pd 0.500 0.500 0.500
Pt 0.500 0.500 0.832
Pt 0.500 0.500 0.168 |
Below is a description of a material. | The chemical formula is: Ba4CdPt.
The XRD pattern shows main peaks at: 26.0°(0.29), 30.5°(1.0), 31.9°(0.37), 45.8°(0.14), 48.7°(0.36), 53.4°(0.32), 60.3°(0.06), 62.8°(0.12), 63.6°(0.15), 72.9°(0.07), 75.2°(0.22), 86.9°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types... | JVASP-64028 | 6.87 6.87 6.87
60 60 60
Ba 0.122 0.626 0.626
Ba 0.626 0.626 0.626
Ba 0.626 0.122 0.626
Ba 0.626 0.626 0.122
Cd 0.250 0.250 0.250
Pt 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: LaP.
The XRD pattern shows main peaks at: 25.5°(0.78), 29.5°(1.0), 42.3°(0.69), 50.0°(0.39), 52.4°(0.27), 61.3°(0.13), 69.5°(0.34), 77.3°(0.24).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-14527 | 4.28 4.28 4.28
60 60 59
La 0.000 0.000 0.000
P 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: NdSmMg2.
The XRD pattern shows main peaks at: 23.2°(0.55), 33.0°(1.0), 40.7°(0.19), 47.3°(0.18), 53.3°(0.25), 58.9°(0.38), 69.2°(0.11), 74.0°(0.12), 78.8°(0.16), 83.5°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-157385 | 5.43 5.43 5.43
60 60 60
Nd 0.250 0.250 0.250
Sm 0.750 0.750 0.750
Mg 0.500 0.500 0.500
Mg 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: TlSe2.
The XRD pattern shows main peaks at: 21.5°(0.32), 21.7°(0.31), 28.0°(0.84), 28.4°(0.16), 28.9°(0.14), 29.8°(1.0), 30.4°(0.42), 37.9°(0.44), 39.5°(0.21), 44.0°(0.15), 44.4°(0.18), 44.9°(0.18), 47.3°(0.21), 48.2°(0.19), 49.3°(0.15), 55.6°(0.08), 56.2°(0.07), 57.9°(0.24), 63.5°(0.16), 64.6°... | JVASP-185429 | 4.74 6.80 4.80
113 59 137
Tl 0.152 0.008 0.118
Se 0.278 0.425 0.827
Se 0.026 0.591 0.409 |
Below is a description of a material. | The chemical formula is: U2TeN2.
The XRD pattern shows main peaks at: 23.9°(0.09), 31.4°(1.0), 32.5°(0.46), 43.2°(0.1), 46.6°(0.2), 55.1°(0.23), 57.3°(0.4), 65.4°(0.12), 68.1°(0.07), 71.8°(0.09), 76.9°(0.08), 77.5°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-15588 | 3.90 3.90 6.86
106 106 90
U 0.341 0.341 0.683
U 0.659 0.659 0.317
Te 0.000 0.000 0.000
N 0.250 0.750 0.500
N 0.750 0.250 0.500 |
Below is a description of a material. | The chemical formula is: Yb2AgSn.
The XRD pattern shows main peaks at: 34.4°(1.0), 49.4°(0.16), 61.6°(0.36), 72.5°(0.11), 82.8°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-40086 | 5.21 5.21 5.21
60 60 60
Yb 0.000 0.000 0.000
Yb 0.500 0.500 0.500
Ag 0.250 0.250 0.250
Sn 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: As2C.
The XRD pattern shows main peaks at: 19.9°(0.22), 26.1°(0.74), 30.4°(0.71), 32.6°(1.0), 40.5°(0.47), 42.6°(0.1), 45.2°(0.61), 50.3°(0.27), 53.6°(0.08), 59.9°(0.25), 61.9°(0.09), 62.9°(0.1), 63.3°(0.08), 64.8°(0.06), 68.3°(0.09), 69.7°(0.09), 70.6°(0.07), 73.0°(0.11), 76.6°(0.08).
Generate... | JVASP-118826 | 4.74 6.59 3.00
63 108 133
As 0.560 0.913 0.495
As 0.453 0.360 0.994
C 0.904 0.085 -0.006 |
Below is a description of a material. | The chemical formula is: CeMg.
The XRD pattern shows main peaks at: 15.0°(0.74), 30.2°(0.32), 33.2°(0.45), 36.6°(1.0), 45.5°(0.38), 57.9°(0.26), 59.4°(0.13), 61.6°(0.12), 68.0°(0.18), 71.8°(0.14), 72.9°(0.09), 77.8°(0.07), 87.6°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and ... | JVASP-123912 | 3.11 3.11 5.92
90 90 120
Ce 0.667 0.333 0.750
Mg 0.333 0.667 0.250 |
Below is a description of a material. | The chemical formula is: MnAl2Te4.
The XRD pattern shows main peaks at: 25.5°(1.0), 28.7°(0.11), 29.9°(0.16), 42.0°(0.34), 42.9°(0.16), 49.0°(0.15), 50.5°(0.24), 52.4°(0.07), 67.1°(0.11), 77.9°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-35479 | 5.97 5.97 7.52
113 113 90
Mn 0.000 0.000 0.000
Al 0.250 0.750 0.500
Al 0.750 0.250 0.500
Te 0.389 0.389 0.239
Te 0.851 0.851 0.239
Te 0.149 0.611 0.761
Te 0.611 0.149 0.761 |
Below is a description of a material. | The chemical formula is: Sn3Pd.
The XRD pattern shows main peaks at: 10.1°(0.15), 29.0°(0.08), 30.5°(0.31), 32.1°(0.69), 34.1°(1.0), 36.8°(0.37), 38.7°(0.21), 40.9°(0.19), 41.3°(0.66), 43.8°(0.46), 52.0°(0.17), 56.6°(0.26), 58.9°(0.09), 59.9°(0.26), 62.0°(0.08), 65.2°(0.09), 65.8°(0.26), 71.5°(0.17), 77.1°(0.11), 80.4°... | JVASP-154654 | 9.37 9.37 6.60
90 90 138
Sn 0.160 0.160 0.662
Sn 0.340 0.340 0.162
Sn 0.660 0.660 0.838
Sn 0.840 0.840 0.338
Sn 0.162 0.498 0.830
Sn 0.338 0.002 0.330
Sn 0.998 0.662 0.670
Sn 0.502 0.838 0.170
Sn 0.838 0.502 0.170
Sn 0.662 0.998 0.670
Sn 0.002 0.338 0.330
Sn 0.498 0.162 0.830
Pd 0.915 0.085 0.000
Pd 0.585 0.415 0.500
P... |
Below is a description of a material. | The chemical formula is: Li8BiO6.
The XRD pattern shows main peaks at: 16.5°(0.4), 19.1°(1.0), 21.4°(0.83), 28.8°(0.35), 31.9°(0.15), 33.4°(0.28), 36.2°(0.56), 37.5°(0.19), 38.8°(0.15), 43.5°(0.24), 46.9°(0.39), 49.0°(0.06), 50.1°(0.16), 51.1°(0.19), 55.0°(0.17), 56.9°(0.14), 57.9°(0.11), 59.7°(0.11), 61.5°(0.06), 69.3... | JVASP-49855 | 5.60 6.27 5.60
116 60 116
Li 0.099 0.367 0.494
Li 0.506 0.633 0.226
Li 0.226 0.633 0.901
Li 0.358 0.075 0.358
Li 0.642 0.925 0.642
Li 0.774 0.367 0.099
Li 0.494 0.367 0.774
Li 0.901 0.633 0.506
Bi 0.000 0.000 0.000
O 0.245 0.739 0.601
O 0.399 0.261 0.106
O 0.106 0.261 0.755
O 0.894 0.739 0.245
O 0.601 0.739 0.894
O 0.7... |
Below is a description of a material. | The chemical formula is: ZnAg.
The XRD pattern shows main peaks at: 20.0°(0.07), 35.5°(0.28), 40.7°(0.22), 41.1°(1.0), 55.1°(0.15), 63.8°(0.17), 74.4°(0.16), 78.5°(0.19).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-126710 | 2.92 2.92 4.43
90 90 120
Zn 0.333 0.667 0.250
Ag 0.667 0.333 0.750 |
Below is a description of a material. | The chemical formula is: TiI3.
The XRD pattern shows main peaks at: 14.3°(0.12), 24.9°(0.12), 27.8°(0.18), 28.6°(1.0), 37.7°(0.24), 43.9°(0.25), 49.7°(0.21), 52.8°(0.17), 53.2°(0.15), 59.2°(0.06), 68.4°(0.07), 71.4°(0.13), 75.0°(0.1), 76.6°(0.05), 79.3°(0.05), 85.0°(0.08).
Generate atomic structure description with lat... | JVASP-14108 | 7.14 7.14 6.42
90 90 120
Ti 0.000 0.000 0.000
Ti 0.000 0.000 0.500
I 0.320 0.000 0.250
I 0.320 0.320 0.750
I -0.000 0.680 0.750
I 0.000 0.320 0.250
I 0.680 0.680 0.250
I 0.680 -0.000 0.750 |
Below is a description of a material. | The chemical formula is: RbPr.
The XRD pattern shows main peaks at: 11.9°(0.11), 24.0°(0.41), 27.3°(0.25), 29.9°(1.0), 36.6°(0.22), 46.0°(0.31), 48.2°(0.19), 49.2°(0.06), 54.5°(0.24), 57.1°(0.06), 57.7°(0.16), 68.8°(0.09), 69.6°(0.09), 71.3°(0.12), 78.4°(0.13), 88.4°(0.1).
Generate atomic structure description with lat... | JVASP-126009 | 3.78 3.78 7.41
90 90 120
Rb 0.667 0.333 0.750
Pr 0.333 0.667 0.250 |
Below is a description of a material. | The chemical formula is: NiPbO3.
The XRD pattern shows main peaks at: 23.2°(0.24), 33.1°(1.0), 40.8°(0.19), 47.5°(0.28), 53.5°(0.13), 59.1°(0.38), 69.5°(0.16), 74.4°(0.07), 79.1°(0.17), 83.8°(0.07), 88.5°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-39431 | 3.83 3.83 3.83
90 90 90
Ni 0.500 0.500 0.500
Pb 0.000 0.000 0.000
O 0.500 0.000 0.500
O 0.000 0.500 0.500
O 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: U3Ni3Sn2Sb2.
The XRD pattern shows main peaks at: 30.1°(0.62), 35.8°(1.0), 43.2°(0.42).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-142994 | 8.12 8.12 8.12
109 109 109
U 0.750 0.374 0.624
U 0.250 0.126 0.876
U 0.126 0.876 0.250
U 0.374 0.624 0.750
U 0.624 0.750 0.374
U 0.876 0.250 0.126
Ni 0.375 0.250 0.625
Ni 0.125 0.750 0.875
Ni 0.875 0.125 0.750
Ni 0.250 0.625 0.375
Ni 0.750 0.875 0.125
Ni 0.625 0.375 0.250
Sn 0.169 0.500 -0.000
Sn 0.331 0.331 0.331
Sn -... |
Below is a description of a material. | The chemical formula is: CaSeO3.
The XRD pattern shows main peaks at: 21.5°(0.17), 24.0°(0.07), 27.9°(0.28), 29.9°(0.12), 30.4°(1.0), 33.1°(0.16), 35.3°(0.07), 43.2°(0.1), 43.8°(0.17), 50.9°(0.26), 52.2°(0.15), 55.5°(0.08), 57.4°(0.22), 63.2°(0.11), 72.1°(0.06).
Generate atomic structure description with lattice length... | JVASP-50926 | 5.42 6.40 8.37
90 90 90
Ca 0.000 0.500 0.000
Ca 0.000 0.500 0.500
Ca 0.500 0.000 0.000
Ca 0.500 0.000 0.500
Se 0.016 0.024 0.750
Se 0.484 0.524 0.750
Se 0.516 0.476 0.250
Se 0.984 0.976 0.250
O 0.870 0.829 0.091
O 0.630 0.329 0.409
O 0.630 0.329 0.091
O 0.703 0.082 0.750
O 0.297 0.918 0.250
O 0.130 0.171 0.591
O 0.370 ... |
Below is a description of a material. | The chemical formula is: YbAs2O2.
The XRD pattern shows main peaks at: 14.0°(0.16), 27.0°(0.56), 28.2°(0.46), 32.6°(1.0), 35.7°(0.41), 42.9°(0.2), 46.8°(0.35), 49.1°(0.27), 55.6°(0.15), 68.4°(0.1), 77.8°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-146188 | 7.75 7.75 7.75
119 119 90
Yb 0.875 0.125 0.750
Yb 0.375 0.125 0.250
Yb 0.875 0.625 0.750
Yb 0.875 0.125 0.250
As 0.502 0.268 0.766
As 0.502 0.737 0.234
As 0.018 0.752 0.266
As 0.248 0.982 0.734
As 0.248 0.513 0.266
As 0.263 0.498 0.766
As 0.732 0.498 0.234
As 0.487 0.752 0.734
O 0.660 0.971 0.311
O 0.651 0.340 0.311
O ... |
Below is a description of a material. | The chemical formula is: Ta2OsW.
The XRD pattern shows main peaks at: 39.7°(1.0), 57.4°(0.17), 72.0°(0.36), 85.5°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-41041 | 4.54 4.54 4.54
60 60 60
Ta 0.000 0.000 0.000
Ta 0.500 0.500 0.500
Os 0.250 0.250 0.250
W 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: TiPt3.
The XRD pattern shows main peaks at: 18.3°(0.07), 26.9°(0.19), 31.9°(0.08), 37.0°(0.24), 39.8°(0.29), 42.2°(1.0), 53.9°(0.06), 55.5°(0.17), 66.8°(0.18), 73.9°(0.21), 80.6°(0.22), 82.2°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-38967 | 5.60 5.60 4.53
90 90 119
Ti 0.333 0.667 0.250
Ti 0.667 0.333 0.750
Pt 0.168 0.832 0.750
Pt 0.665 0.832 0.750
Pt 0.168 0.335 0.750
Pt 0.832 0.168 0.250
Pt 0.335 0.168 0.250
Pt 0.832 0.665 0.250 |
Below is a description of a material. | The chemical formula is: BePd2W.
The XRD pattern shows main peaks at: 19.3°(0.76), 38.3°(0.27), 39.2°(0.7), 43.3°(1.0), 44.1°(0.18), 56.0°(0.19), 56.7°(0.22), 68.7°(0.07), 73.9°(0.41), 82.1°(0.16), 83.7°(0.06), 84.3°(0.08), 85.3°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-74946 | 4.59 4.59 2.73
90 90 90
Be 0.000 0.000 0.500
Pd 0.500 0.000 0.000
Pd 0.000 0.500 0.000
W 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Mn2InSnPd4.
The XRD pattern shows main peaks at: 24.1°(0.06), 39.8°(1.0), 57.6°(0.16), 72.3°(0.25).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-108100 | 7.84 7.84 7.84
33 33 33
Mn 0.251 0.251 0.251
Mn 0.749 0.749 0.749
In 0.000 0.000 0.000
Sn 0.500 0.500 0.500
Pd 0.624 0.624 0.624
Pd 0.126 0.126 0.126
Pd 0.874 0.874 0.874
Pd 0.376 0.376 0.376 |
Below is a description of a material. | The chemical formula is: Sc2Tc.
The XRD pattern shows main peaks at: 16.2°(0.54), 28.3°(0.12), 36.8°(1.0), 38.6°(0.52), 42.1°(0.17), 50.0°(0.31), 55.8°(0.18), 58.5°(0.07), 64.9°(0.11), 68.7°(0.35), 78.2°(0.2), 81.6°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-193010 | 3.30 3.30 5.94
106 106 90
Sc 0.136 0.136 0.272
Sc 0.864 0.864 0.728
Tc 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: LiNbF2.
The XRD pattern shows main peaks at: 13.8°(1.0), 27.8°(0.23), 36.4°(0.76), 37.4°(0.54), 40.8°(0.16), 42.2°(0.2), 43.3°(0.1), 49.4°(0.21), 52.9°(0.29), 60.8°(0.2), 65.0°(0.2), 66.8°(0.1), 72.1°(0.1), 76.8°(0.07), 80.6°(0.14).
Generate atomic structure description with lattice lengths, an... | JVASP-138818 | 6.63 6.63 6.63
24 24 24
Li 0.500 0.500 0.500
Nb 0.000 0.000 0.000
F 0.110 0.110 0.110
F 0.890 0.890 0.890 |
Below is a description of a material. | The chemical formula is: Te4Mo2WSe2.
The XRD pattern shows main peaks at: 2.9°(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-28512 | 3.49 3.49 30.30
89 90 119
Te 0.333 0.667 0.404
Te 0.667 0.333 0.520
Te 0.667 0.333 0.642
Te 0.333 0.667 0.281
Mo 0.333 0.667 0.118
Mo 0.333 0.667 0.581
W 0.667 0.333 0.342
Se 0.667 0.333 0.064
Se 0.667 0.333 0.171 |
Below is a description of a material. | The chemical formula is: Pm3Pb.
The XRD pattern shows main peaks at: 31.5°(1.0), 36.5°(0.55), 52.5°(0.37), 62.5°(0.46), 65.6°(0.12), 77.5°(0.06), 86.0°(0.2), 88.8°(0.19).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-40296 | 4.93 4.93 4.93
90 90 90
Pm 0.500 0.500 0.000
Pm 0.000 0.500 0.500
Pm 0.500 0.000 0.500
Pb 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: ErH2ClO2.
The XRD pattern shows main peaks at: 14.0°(1.0), 17.5°(0.26), 23.0°(0.4), 28.3°(0.21), 28.8°(0.18), 29.2°(0.37), 29.9°(0.35), 30.7°(0.5), 34.3°(0.36), 35.5°(0.22), 38.1°(0.46), 39.4°(0.11), 41.5°(0.18), 43.9°(0.22), 44.8°(0.16), 50.3°(0.09), 51.2°(0.28), 52.8°(0.12), 54.0°(0.23), 60.6... | JVASP-151707 | 3.56 6.19 6.55
74 90 90
Er 0.250 0.719 0.109
Er 0.750 0.281 0.891
H 0.750 0.874 0.763
H 0.250 0.126 0.237
H 0.750 0.365 0.309
H 0.250 0.635 0.691
Cl 0.750 0.772 0.428
Cl 0.250 0.228 0.572
O 0.750 0.895 0.906
O 0.250 0.105 0.094
O 0.750 0.456 0.161
O 0.250 0.544 0.839 |
Below is a description of a material. | The chemical formula is: PBr.
The XRD pattern shows main peaks at: 21.0°(0.16), 24.1°(0.67), 30.1°(1.0), 31.9°(0.19), 32.5°(0.08), 33.9°(0.16), 34.3°(0.25), 41.8°(0.07), 43.1°(0.05), 46.2°(0.25), 49.6°(0.05), 50.6°(0.1), 52.3°(0.1), 53.8°(0.07), 54.6°(0.05), 55.6°(0.05), 56.4°(0.15), 58.4°(0.07), 66.6°(0.05).
Generate ... | JVASP-117839 | 8.19 6.65 5.66
31 53 42
P 0.668 0.835 -0.019
P 0.549 0.454 0.218
Br 0.902 0.052 0.103
Br 0.316 0.143 0.191 |
Below is a description of a material. | The chemical formula is: TiSi2Tc.
The XRD pattern shows main peaks at: 21.4°(0.22), 26.5°(0.13), 29.3°(0.44), 38.7°(1.0), 43.6°(0.06), 44.9°(0.64), 50.2°(0.13), 54.5°(0.07), 58.1°(0.07), 60.7°(0.25), 65.6°(0.16), 78.6°(0.22), 82.7°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates a... | JVASP-185343 | 4.04 4.04 4.77
115 90 119
Ti 0.000 0.000 0.000
Si 0.231 0.461 0.692
Si 0.769 0.539 0.308
Tc 0.500 0.000 0.500 |
Below is a description of a material. | The chemical formula is: CuCl.
The XRD pattern shows main peaks at: 28.7°(1.0), 33.3°(0.09), 47.8°(0.62), 56.7°(0.4), 69.9°(0.09), 89.1°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-173935 | 3.81 3.81 3.81
90 60 120
Cu 0.017 0.009 0.009
Cl 0.517 0.758 0.758 |
Below is a description of a material. | The chemical formula is: NaBH2.
The XRD pattern shows main peaks at: 20.2°(0.26), 32.2°(0.22), 38.3°(1.0), 41.0°(0.21), 46.2°(0.34), 50.9°(0.12), 53.1°(0.18), 63.5°(0.22), 67.5°(0.09), 73.0°(0.1), 80.4°(0.17), 82.1°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-119907 | 2.78 2.78 4.40
90 90 90
Na 0.500 0.500 0.590
B 0.000 0.000 0.039
H 0.000 0.000 0.320
H 0.500 0.500 0.061 |
Below is a description of a material. | The chemical formula is: Sr3SnO.
The XRD pattern shows main peaks at: 30.1°(1.0), 34.9°(0.6), 50.2°(0.42), 59.7°(0.46), 62.6°(0.14), 73.8°(0.07), 81.7°(0.2), 84.3°(0.2).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-193851 | 5.14 5.14 5.14
90 90 90
Sr 0.000 0.500 0.000
Sr 0.000 0.000 0.500
Sr 0.500 0.000 0.000
Sn 0.500 0.500 0.500
O 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: SrGaSn3.
The XRD pattern shows main peaks at: 17.6°(0.21), 18.7°(0.06), 29.4°(1.0), 31.3°(0.43), 33.3°(0.93), 37.9°(0.14), 43.0°(0.38), 46.4°(0.31), 47.8°(0.33), 49.5°(0.08), 57.1°(0.3), 58.3°(0.08), 60.1°(0.16), 66.2°(0.2), 68.8°(0.09), 70.0°(0.1), 77.6°(0.06), 79.7°(0.16), 80.2°(0.14), 84.8°(... | JVASP-179416 | 6.32 6.32 6.32
129 129 73
Sr -0.010 -0.010 0.000
Ga 0.335 0.335 -0.000
Sn 0.603 0.603 0.000
Sn 0.242 0.742 0.500
Sn 0.742 0.242 0.500 |
Below is a description of a material. | The chemical formula is: BaSn2Se.
The XRD pattern shows main peaks at: 24.5°(0.21), 29.8°(0.81), 33.2°(1.0), 38.6°(0.07), 42.6°(0.32), 44.3°(0.06), 49.5°(0.14), 55.0°(0.43), 58.8°(0.08), 61.4°(0.07), 61.8°(0.11), 70.1°(0.15), 70.9°(0.06), 72.0°(0.11), 83.0°(0.06), 86.4°(0.08), 87.4°(0.14).
Generate atomic structure des... | JVASP-65689 | 4.24 4.24 7.00
90 90 90
Ba 0.500 0.500 0.500
Sn 0.000 0.000 0.197
Sn 0.000 0.000 0.803
Se 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: Li2MnF4.
The XRD pattern shows main peaks at: 14.6°(0.27), 19.2°(0.4), 24.0°(1.0), 24.8°(0.33), 29.5°(0.2), 33.4°(0.12), 33.9°(0.36), 35.6°(0.32), 36.0°(0.59), 36.7°(0.28), 39.0°(0.44), 41.6°(0.24), 42.0°(0.37), 44.9°(0.41), 49.2°(0.38), 52.7°(0.13), 54.4°(0.19), 61.0°(0.23), 62.2°(0.24), 64.4°... | JVASP-146591 | 5.29 5.29 6.07
88 88 60
Li 0.318 0.365 0.172
Li 0.017 0.983 0.500
Li 0.024 0.976 -0.000
Li 0.635 0.682 0.828
Mn 0.395 0.292 0.682
Mn 0.708 0.605 0.318
F 0.353 0.096 0.958
F 0.150 0.292 0.428
F 0.263 0.720 0.736
F 0.788 0.270 0.754
F 0.730 0.212 0.246
F 0.280 0.737 0.264
F 0.708 0.850 0.572
F 0.904 0.647 0.042 |
Below is a description of a material. | The chemical formula is: Er3C.
The XRD pattern shows main peaks at: 30.3°(0.32), 31.0°(1.0), 35.7°(0.68), 51.0°(0.27), 51.9°(0.25), 60.5°(0.14), 61.3°(0.27), 61.7°(0.14), 64.6°(0.13), 75.7°(0.08), 84.7°(0.12), 87.3°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-123189 | 3.53 3.53 8.84
90 90 120
Er 0.333 0.667 0.151
Er 0.000 0.000 0.500
Er 0.667 0.333 0.849
C 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: LiVF3.
The XRD pattern shows main peaks at: 18.0°(1.0), 23.6°(0.09), 31.4°(0.08), 35.7°(0.12), 39.6°(0.13), 44.4°(0.17), 48.2°(0.2), 48.8°(0.06), 58.7°(0.11), 65.4°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-109424 | 5.70 5.70 5.84
90 90 119
Li 0.667 0.333 0.750
Li 0.333 0.667 0.250
V 0.000 0.000 0.500
V 0.000 0.000 0.000
F 0.304 0.152 0.750
F 0.848 0.696 0.750
F 0.152 0.848 0.250
F 0.848 0.152 0.750
F 0.152 0.304 0.250
F 0.696 0.848 0.250 |
Below is a description of a material. | The chemical formula is: PaV.
The XRD pattern shows main peaks at: 26.1°(0.54), 37.3°(1.0), 46.1°(0.16), 53.7°(0.19), 60.7°(0.23), 67.2°(0.39), 79.4°(0.12), 85.3°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-122963 | 3.41 3.41 3.41
90 90 90
Pa 0.000 0.000 0.000
V 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Ba4GaW.
The XRD pattern shows main peaks at: 15.7°(0.11), 25.8°(0.25), 30.3°(1.0), 31.7°(0.44), 36.8°(0.06), 45.5°(0.11), 48.4°(0.39), 53.0°(0.33), 62.3°(0.14), 63.1°(0.19), 72.4°(0.05), 74.6°(0.24), 78.3°(0.05), 86.2°(0.08).
Generate atomic structure description with lattice lengths, angles, c... | JVASP-66507 | 6.91 6.91 6.91
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
Ga 0.250 0.250 0.250
W 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: LiAgF2.
The XRD pattern shows main peaks at: 15.3°(1.0), 30.9°(0.17), 34.8°(0.24), 35.7°(0.53), 38.2°(0.22), 42.1°(0.87), 53.1°(0.21), 62.4°(0.18), 64.6°(0.12), 78.2°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-22698 | 2.98 2.98 11.58
89 90 59
Li -0.000 0.000 0.000
Li 0.000 0.000 0.500
Ag 0.667 0.667 0.250
Ag 0.333 0.333 0.750
F 0.333 0.333 0.095
F 0.667 0.667 0.595
F 0.667 0.667 0.905
F 0.333 0.333 0.405 |
Below is a description of a material. | The chemical formula is: Ca4RhN4.
The XRD pattern shows main peaks at: 16.7°(0.46), 18.2°(0.26), 19.4°(0.17), 20.0°(0.18), 22.4°(0.17), 23.3°(0.28), 31.3°(0.63), 32.0°(1.0), 35.1°(0.69), 36.1°(0.13), 36.6°(0.63), 37.5°(0.66), 39.4°(0.54), 42.3°(0.15), 47.9°(0.15), 50.9°(0.11), 52.9°(0.2), 54.8°(0.16), 55.9°(0.21), 56.5... | JVASP-116744 | 6.10 5.95 8.67
66 77 70
Ca 0.787 0.587 0.154
Ca 0.213 0.413 0.846
Ca 0.720 0.213 0.987
Ca 0.280 0.787 0.013
Ca 0.732 0.477 0.573
Ca 0.268 0.523 0.427
Ca 0.215 0.956 0.620
Ca 0.785 0.044 0.380
Rh 0.290 0.146 0.241
Rh 0.710 0.854 0.759
N 0.983 0.677 0.619
N 0.017 0.323 0.381
N 0.947 0.858 0.884
N 0.053 0.142 0.116
N 0.50... |
Below is a description of a material. | The chemical formula is: BrO2.
The XRD pattern shows main peaks at: 24.7°(1.0), 26.4°(0.78), 29.7°(0.37), 30.6°(0.56), 34.0°(0.36), 35.6°(0.72), 38.8°(0.48), 42.9°(0.36), 44.4°(0.14), 46.2°(0.15), 48.5°(0.16), 50.7°(0.22), 55.7°(0.16), 56.7°(0.23), 57.2°(0.13), 59.1°(0.11), 61.5°(0.09), 63.8°(0.13), 70.8°(0.09), 75.3°(... | JVASP-117829 | 3.90 3.46 4.34
48 71 86
Br -0.104 0.158 0.933
O 0.452 0.045 0.240
O 0.865 0.195 0.534 |
Below is a description of a material. | The chemical formula is: Li8Pd.
The XRD pattern shows main peaks at: 4.1°(1.0), 8.2°(0.23), 12.2°(0.09), 16.4°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-130700 | 2.94 2.94 21.68
90 90 120
Li 0.000 0.000 0.201
Li 0.000 0.000 0.021
Li 0.333 0.667 0.437
Li 0.667 0.333 0.553
Li 0.667 0.333 0.321
Li 0.000 0.000 0.785
Li 0.333 0.667 0.902
Li 0.333 0.667 0.669
Pd 0.667 0.333 0.111 |
Below is a description of a material. | The chemical formula is: CaAcHg2.
The XRD pattern shows main peaks at: 19.7°(0.15), 32.4°(1.0), 38.2°(0.09), 46.4°(0.17), 57.8°(0.37), 67.8°(0.12), 77.1°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-41368 | 5.53 5.53 5.53
60 60 60
Ca 0.750 0.750 0.750
Ac 0.250 0.250 0.250
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: HPbI2.
The XRD pattern shows main peaks at: 13.9°(0.4), 19.2°(0.44), 23.8°(0.11), 27.3°(1.0), 28.1°(0.36), 30.8°(0.25), 34.2°(0.32), 39.0°(0.39), 39.5°(0.57), 41.6°(0.12), 43.8°(0.11), 47.2°(0.1), 48.7°(0.34), 52.8°(0.18), 56.3°(0.13), 61.7°(0.1), 63.7°(0.18), 64.1°(0.15), 71.0°(0.23), 75.4°(0.... | JVASP-118427 | 4.62 4.62 6.36
90 90 90
H 0.500 0.500 0.537
Pb 0.000 0.000 0.954
I 0.000 0.000 0.489
I 0.500 0.500 0.030 |
Below is a description of a material. | The chemical formula is: SiH8.
The XRD pattern shows main peaks at: 20.6°(1.0), 23.7°(0.41), 24.2°(0.19), 33.8°(0.18), 34.1°(0.35), 39.9°(0.25), 40.5°(0.12), 42.0°(0.14), 53.8°(0.12), 54.9°(0.07), 55.7°(0.06), 60.6°(0.09), 64.5°(0.06), 75.3°(0.05).
Generate atomic structure description with lattice lengths, angles, coo... | JVASP-178194 | 5.30 5.31 7.35
90 90 90
Si 0.500 0.243 0.859
Si -0.000 0.757 0.359
H 0.500 0.471 0.975
H -0.000 0.529 0.475
H 0.500 0.014 0.975
H -0.000 0.986 0.475
H 0.729 0.242 0.742
H 0.271 0.242 0.742
H 0.771 0.758 0.242
H 0.229 0.758 0.242
H 0.500 0.292 0.311
H -0.000 0.708 0.811
H 0.500 0.227 0.401
H -0.000 0.773 0.901
H 0.500 0... |
Below is a description of a material. | The chemical formula is: TiTl3F6.
The XRD pattern shows main peaks at: 16.7°(0.08), 27.5°(1.0), 33.8°(0.07), 39.2°(0.28), 48.6°(0.41), 56.7°(0.19), 64.1°(0.21), 71.1°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-87875 | 6.49 6.49 6.49
60 60 60
Ti 0.000 0.000 0.000
Tl 0.500 0.500 0.500
Tl 0.750 0.750 0.750
Tl 0.250 0.250 0.250
F 0.213 0.787 0.787
F 0.213 0.787 0.213
F 0.787 0.213 0.787
F 0.213 0.213 0.787
F 0.787 0.213 0.213
F 0.787 0.787 0.213 |
Below is a description of a material. | The chemical formula is: BeCrSb2.
The XRD pattern shows main peaks at: 23.3°(0.33), 30.2°(1.0), 35.3°(0.08), 36.6°(0.26), 39.7°(0.46), 45.5°(0.42), 46.6°(0.23), 54.2°(0.1), 57.4°(0.15), 62.8°(0.09), 63.8°(0.07), 66.3°(0.19), 70.0°(0.06), 75.1°(0.08), 76.2°(0.19), 88.5°(0.05).
Generate atomic structure description with ... | JVASP-71480 | 3.21 3.21 7.62
90 90 90
Be 0.000 0.000 0.570
Cr 0.500 0.500 0.691
Sb 0.000 0.000 0.901
Sb 0.500 0.500 0.339 |
Below is a description of a material. | The chemical formula is: LuCo3B2.
The XRD pattern shows main peaks at: 20.8°(0.35), 36.4°(1.0), 42.3°(0.7), 47.6°(0.51), 61.4°(0.08), 65.5°(0.33), 73.5°(0.16), 77.4°(0.32), 88.6°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-17320 | 4.94 4.94 3.02
90 90 120
Lu 0.000 0.000 0.000
Co 0.500 0.500 0.500
Co 0.000 0.500 0.500
Co 0.500 0.000 0.500
B 0.667 0.333 0.000
B 0.333 0.667 0.000 |
Below is a description of a material. | The chemical formula is: TaAuBr.
The XRD pattern shows main peaks at: 24.4°(0.09), 28.2°(0.51), 40.4°(1.0), 50.0°(0.16), 58.4°(0.18), 66.1°(0.21), 73.4°(0.37), 87.3°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-51307 | 4.47 4.47 4.47
60 60 60
Ta 0.000 0.000 0.000
Au 0.500 0.500 0.500
Br 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: HgBiPb2.
The XRD pattern shows main peaks at: 27.7°(0.66), 30.4°(0.52), 31.0°(1.0), 41.6°(0.44), 42.1°(0.92), 54.5°(0.2), 55.6°(0.1), 62.2°(0.3), 63.3°(0.17), 64.7°(0.13), 70.5°(0.1), 71.8°(0.19), 88.3°(0.06), 89.2°(0.06).
Generate atomic structure description with lattice lengths, angles, coor... | JVASP-76700 | 12.87 7.26 7.26
26 27 27
Hg 0.000 0.000 0.000
Bi 0.500 0.000 -0.000
Pb 0.754 0.000 -0.000
Pb 0.246 -0.000 0.000 |
Below is a description of a material. | The chemical formula is: CeVO3.
The XRD pattern shows main peaks at: 23.1°(0.2), 32.9°(1.0), 40.6°(0.22), 47.2°(0.33), 53.2°(0.1), 58.7°(0.39), 68.9°(0.19), 73.8°(0.05), 78.5°(0.17), 83.2°(0.07), 87.8°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-8637 | 3.85 3.85 3.85
90 90 90
Ce 0.000 0.000 0.000
V 0.500 0.500 0.500
O 0.000 0.500 0.500
O 0.500 0.000 0.500
O 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: Ti2ZnMo.
The XRD pattern shows main peaks at: 26.7°(0.06), 29.3°(0.09), 40.1°(1.0), 41.9°(0.41), 55.1°(0.09), 60.8°(0.14), 71.5°(0.15), 75.4°(0.26), 86.5°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-187252 | 3.34 4.31 4.31
90 90 90
Mo 0.500 0.500 0.500
Zn 0.500 0.000 0.000
Ti 0.000 0.000 0.500
Ti 0.000 0.500 0.000 |
Below is a description of a material. | The chemical formula is: AgAu.
The XRD pattern shows main peaks at: 18.5°(0.1), 36.0°(0.07), 37.6°(1.0), 43.7°(0.5), 63.5°(0.29), 76.3°(0.34), 80.3°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-108165 | 5.08 5.08 5.08
33 33 33
Ag 0.000 0.000 0.000
Au 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: ZrTi.
The XRD pattern shows main peaks at: 18.2°(0.16), 33.5°(0.35), 36.8°(0.27), 38.4°(1.0), 50.6°(0.21), 59.9°(0.17), 67.3°(0.19), 72.4°(0.19), 73.4°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-123448 | 3.09 3.09 4.88
90 90 119
Zr 0.333 0.667 0.750
Ti 0.667 0.333 0.250 |
Below is a description of a material. | The chemical formula is: K2BePd.
The XRD pattern shows main peaks at: 21.1°(0.38), 24.4°(0.34), 34.8°(1.0), 41.1°(0.22), 43.0°(0.11), 50.1°(0.19), 55.0°(0.09), 56.5°(0.15), 62.5°(0.37), 73.6°(0.11), 77.6°(0.06), 78.9°(0.05), 84.1°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates an... | JVASP-74970 | 5.15 5.15 5.15
120 120 89
K 0.000 0.000 0.000
K 0.250 0.750 0.500
Be 0.750 0.250 0.500
Pd 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: KCrF3.
The XRD pattern shows main peaks at: 21.4°(0.25), 30.4°(1.0), 37.5°(0.14), 43.6°(0.66), 54.1°(0.33), 63.3°(0.38), 80.0°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-56667 | 5.87 5.87 5.88
119 119 90
K 0.750 0.750 0.500
K 0.250 0.250 0.500
Cr 0.000 0.500 0.000
Cr 0.500 -0.000 0.000
F 0.250 0.750 0.500
F 0.740 0.260 -0.000
F 0.260 0.740 0.000
F 0.240 0.240 0.000
F 0.750 0.250 0.500
F 0.760 0.760 -0.000 |
Below is a description of a material. | The chemical formula is: Yb3Ac.
The XRD pattern shows main peaks at: 28.6°(1.0), 33.1°(0.5), 47.6°(0.34), 56.4°(0.45), 59.2°(0.13), 69.5°(0.06), 76.8°(0.18), 79.2°(0.17), 88.6°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-128308 | 5.41 5.41 5.41
90 90 90
Yb 0.000 0.500 0.500
Yb 0.500 0.000 0.500
Yb 0.500 0.500 0.000
Ac 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: SrCa3Si4.
The XRD pattern shows main peaks at: 8.1°(0.16), 16.3°(0.09), 21.0°(0.07), 28.0°(0.23), 31.1°(1.0), 31.4°(0.52), 32.9°(0.23), 39.1°(0.65), 40.3°(0.2), 46.2°(0.19), 48.9°(0.09), 52.1°(0.14), 57.0°(0.16), 57.5°(0.13), 62.2°(0.15), 66.1°(0.12), 71.0°(0.09), 72.2°(0.08), 76.1°(0.07), 80.8... | JVASP-176406 | 3.93 4.59 10.89
90 90 90
Sr 0.250 0.500 0.142
Ca 0.250 0.000 0.640
Ca 0.750 -0.000 0.368
Ca 0.750 0.500 0.858
Si 0.250 0.500 0.436
Si 0.250 -0.000 0.923
Si 0.750 0.000 0.060
Si 0.750 0.500 0.574 |
Below is a description of a material. | The chemical formula is: YMg2Cd.
The XRD pattern shows main peaks at: 24.9°(0.45), 35.5°(1.0), 43.8°(0.12), 51.1°(0.16), 57.6°(0.17), 63.7°(0.33), 75.1°(0.1), 80.6°(0.07), 85.9°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-157361 | 5.06 5.06 5.06
60 60 60
Y 0.750 0.750 0.750
Mg 0.500 0.500 0.500
Mg 0.000 0.000 0.000
Cd 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: AsS2.
The XRD pattern shows main peaks at: 17.7°(1.0), 25.1°(0.59), 28.0°(0.74), 33.3°(0.36), 35.8°(0.16), 38.0°(0.42), 40.3°(0.55), 46.1°(0.16), 49.8°(0.61), 51.6°(0.14), 55.0°(0.13), 58.2°(0.09), 59.7°(0.17), 62.8°(0.18), 64.1°(0.08), 65.8°(0.11), 72.9°(0.2), 81.3°(0.07), 82.8°(0.06), 84.0°(0... | JVASP-139732 | 5.01 3.18 5.01
90 90 90
As 0.377 0.000 0.000
S 0.012 0.000 0.737
S 0.012 0.000 0.263 |
Below is a description of a material. | The chemical formula is: Ne.
The XRD pattern shows main peaks at: 37.9°(1.0), 44.1°(0.45), 64.1°(0.24), 77.0°(0.21), 81.1°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-148639 | 2.91 2.91 2.91
60 60 60
Ne 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: K2RbYBr6.
The XRD pattern shows main peaks at: 14.9°(0.68), 26.0°(0.56), 30.2°(1.0), 33.8°(0.37), 43.2°(0.73), 45.9°(0.08), 51.1°(0.11), 53.6°(0.23), 62.7°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-110659 | 8.38 8.38 8.38
60 60 60
K 0.750 0.750 0.750
K 0.250 0.250 0.250
Rb 0.500 0.500 0.500
Y 0.000 0.000 0.000
Br 0.766 0.234 0.234
Br 0.234 0.234 0.766
Br 0.234 0.766 0.766
Br 0.234 0.766 0.234
Br 0.766 0.234 0.766
Br 0.766 0.766 0.234 |
Below is a description of a material. | The chemical formula is: Na8NO3.
The XRD pattern shows main peaks at: 27.5°(0.19), 31.9°(0.38), 45.7°(1.0), 54.2°(0.05), 56.8°(0.1), 66.6°(0.13), 75.8°(0.11), 84.6°(0.21).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-35197 | 5.61 5.61 5.61
90 90 90
Na 0.253 0.253 0.253
Na 0.747 0.747 0.253
Na 0.747 0.253 0.747
Na 0.253 0.747 0.747
Na 0.253 0.253 0.747
Na 0.747 0.747 0.747
Na 0.747 0.253 0.253
Na 0.253 0.747 0.253
N 0.000 0.000 0.000
O 0.500 0.500 0.000
O 0.000 0.500 0.500
O 0.500 0.000 0.500 |
Below is a description of a material. | The chemical formula is: HfPbN2.
The XRD pattern shows main peaks at: 31.4°(1.0), 44.9°(0.19), 55.9°(0.32), 65.7°(0.08), 74.4°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-103534 | 4.04 4.04 8.01
90 90 90
Hf 0.750 0.750 0.596
Hf 0.250 0.250 0.404
Pb 0.750 0.750 0.137
Pb 0.250 0.250 0.863
N 0.750 0.250 0.500
N 0.250 0.750 0.500
N 0.750 0.750 0.850
N 0.250 0.250 0.150 |
Below is a description of a material. | The chemical formula is: LiSi2Pd2.
The XRD pattern shows main peaks at: 17.8°(1.0), 23.6°(0.08), 31.0°(0.3), 36.0°(0.95), 44.4°(0.36), 48.3°(0.74), 55.4°(0.06), 58.5°(0.11), 64.8°(0.12), 67.6°(0.1), 73.6°(0.11), 76.3°(0.22), 84.6°(0.19).
Generate atomic structure description with lattice lengths, angles, coordinates an... | JVASP-155645 | 5.75 5.75 5.75
138 138 60
Li 0.000 0.000 0.000
Si 0.384 0.384 -0.000
Si 0.616 0.616 0.000
Pd 0.750 0.250 0.500
Pd 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: Ba4GaFe.
The XRD pattern shows main peaks at: 15.7°(0.37), 25.7°(0.11), 30.3°(1.0), 31.6°(0.66), 36.7°(0.2), 40.1°(0.11), 48.3°(0.37), 52.9°(0.35), 55.5°(0.09), 62.1°(0.13), 62.9°(0.28), 74.4°(0.23), 78.0°(0.06), 85.9°(0.07), 86.6°(0.06).
Generate atomic structure description with lattice lengt... | JVASP-66215 | 6.93 6.93 6.93
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
Ga 0.000 0.000 0.000
Fe 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: TmPu3.
The XRD pattern shows main peaks at: 30.4°(0.22), 32.9°(0.25), 34.7°(1.0), 45.5°(0.15), 54.1°(0.2), 60.0°(0.2), 64.8°(0.23), 65.9°(0.16), 85.0°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-106991 | 6.78 6.78 5.44
90 90 120
Tm 0.333 0.667 0.750
Tm 0.667 0.333 0.250
Pu 0.164 0.328 0.250
Pu 0.672 0.836 0.250
Pu 0.164 0.836 0.250
Pu 0.836 0.672 0.750
Pu 0.328 0.164 0.750
Pu 0.836 0.164 0.750 |
Below is a description of a material. | The chemical formula is: CaMg.
The XRD pattern shows main peaks at: 16.1°(0.08), 28.3°(0.29), 32.7°(1.0), 43.6°(0.16), 50.1°(0.18), 58.1°(0.17), 61.1°(0.25), 80.2°(0.06), 82.9°(0.11), 89.1°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-123910 | 3.64 3.64 5.51
90 90 120
Ca 0.667 0.333 0.750
Mg 0.333 0.667 0.250 |
Below is a description of a material. | The chemical formula is: Rb6C5.
The XRD pattern shows main peaks at: 13.3°(0.07), 23.0°(0.33), 25.9°(1.0), 32.9°(0.24), 35.6°(0.07), 37.6°(0.07), 40.7°(0.19), 42.2°(0.25), 47.3°(0.17), 48.9°(0.13), 50.9°(0.07), 60.1°(0.07), 63.9°(0.09), 65.0°(0.07).
Generate atomic structure description with lattice lengths, angles, co... | JVASP-52135 | 7.68 7.68 7.73
90 90 120
Rb 0.389 0.389 0.500
Rb 0.611 0.000 0.500
Rb 0.654 0.654 0.000
Rb 0.346 0.000 0.000
Rb 0.000 0.346 0.000
Rb 0.000 0.611 0.500
C 0.333 0.667 0.762
C 0.000 0.000 0.500
C 0.667 0.333 0.238
C 0.667 0.333 0.762
C 0.333 0.667 0.238 |
Below is a description of a material. | The chemical formula is: CaTmRh2.
The XRD pattern shows main peaks at: 22.8°(0.2), 37.7°(1.0), 54.4°(0.17), 68.1°(0.35), 80.5°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-108868 | 4.77 4.77 4.77
60 60 60
Ca 0.500 0.500 0.500
Tm 0.000 0.000 0.000
Rh 0.250 0.250 0.250
Rh 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: Nb3RhSe6.
The XRD pattern shows main peaks at: 14.0°(0.11), 18.3°(0.13), 27.1°(0.08), 29.4°(0.08), 30.2°(0.43), 32.7°(0.21), 36.5°(0.36), 41.2°(1.0), 46.7°(0.07), 52.1°(0.48), 65.3°(0.07), 68.5°(0.21), 88.1°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates ... | JVASP-154852 | 6.08 6.08 12.64
90 90 120
Nb 1.000 0.000 0.000
Nb 1.000 0.000 0.500
Nb 0.333 0.667 0.499
Nb 0.667 0.333 -0.001
Nb 0.667 0.333 0.501
Nb 0.333 0.667 0.001
Rh 0.333 0.667 0.250
Rh 0.667 0.333 0.750
Se 0.991 0.666 0.367
Se 0.666 0.675 0.867
Se 0.325 0.991 0.867
Se 0.009 0.334 0.867
Se 0.325 0.334 0.633
Se 0.991 0.325 0.133... |
Below is a description of a material. | The chemical formula is: SmMgAg2.
The XRD pattern shows main peaks at: 21.8°(0.22), 36.0°(1.0), 42.5°(0.12), 51.9°(0.16), 56.9°(0.05), 64.8°(0.33), 76.4°(0.11), 87.5°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-40575 | 4.99 4.99 4.99
60 60 60
Sm 0.750 0.750 0.750
Mg 0.250 0.250 0.250
Ag 0.500 0.500 0.500
Ag 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Rb2AlCuF6.
The XRD pattern shows main peaks at: 30.6°(1.0), 37.7°(0.24), 43.8°(0.45), 54.4°(0.36), 63.7°(0.26), 72.3°(0.18), 80.5°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-107854 | 5.84 5.84 5.84
60 60 60
Rb 0.750 0.750 0.750
Rb 0.250 0.250 0.250
Al 0.000 0.000 0.000
Cu 0.500 0.500 0.500
F 0.777 0.223 0.223
F 0.223 0.223 0.777
F 0.223 0.777 0.777
F 0.223 0.777 0.223
F 0.777 0.223 0.777
F 0.777 0.777 0.223 |
Below is a description of a material. | The chemical formula is: BaSn2H2O4.
The XRD pattern shows main peaks at: 12.8°(0.23), 23.9°(0.22), 25.5°(0.64), 28.5°(1.0), 29.3°(0.16), 30.1°(0.76), 30.7°(0.55), 31.2°(0.32), 39.3°(0.17), 39.9°(0.16), 42.4°(0.15), 44.3°(0.31), 44.8°(0.16), 49.0°(0.15), 51.6°(0.23), 52.9°(0.17), 53.2°(0.17), 54.2°(0.16), 55.0°(0.17), 6... | JVASP-85795 | 7.62 5.82 7.27
90 107 90
Ba 0.566 0.504 0.812
Ba 0.434 0.004 0.188
Sn 0.852 0.504 0.354
Sn 0.148 0.004 0.646
Sn 0.107 0.504 0.912
Sn 0.893 0.004 0.088
H 0.785 0.004 0.703
H 0.215 0.504 0.297
H 0.512 0.505 0.365
H 0.488 0.005 0.635
O 0.288 0.505 0.207
O 0.277 0.253 0.854
O 0.723 0.753 0.146
O 0.723 0.255 0.146
O 0.277 0... |
Below is a description of a material. | The chemical formula is: IClO.
The XRD pattern shows main peaks at: 10.9°(0.83), 21.9°(0.59), 28.1°(1.0), 30.2°(0.33), 33.0°(0.17), 35.9°(0.68), 40.2°(0.35), 41.7°(0.14), 43.9°(0.33), 46.2°(0.33), 53.0°(0.18), 53.5°(0.09), 58.1°(0.11), 62.8°(0.11), 64.4°(0.15), 65.8°(0.15), 68.5°(0.09), 70.2°(0.18), 71.7°(0.11), 75.6°(... | JVASP-115869 | 3.17 3.17 8.13
90 90 90
I 0.000 0.000 0.643
Cl 0.000 0.000 0.232
O 0.000 0.000 0.039 |
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