instruction stringclasses 1
value | input stringlengths 172 433 | id stringlengths 7 12 | output stringlengths 43 458 |
|---|---|---|---|
Below is a description of a material. | The chemical formula is: SbF4.
The XRD pattern shows main peaks at: 19.0°(1.0), 24.4°(0.41), 25.8°(0.34), 26.7°(0.34), 31.1°(0.47), 35.8°(0.17), 36.5°(0.17), 37.0°(0.19), 39.0°(0.17), 44.8°(0.25), 46.5°(0.24), 50.0°(0.2), 54.0°(0.16), 56.4°(0.16), 57.1°(0.12), 57.6°(0.11), 59.1°(0.09), 60.2°(0.12), 61.0°(0.08), 62.5°(0... | JVASP-30626 | 5.16 5.16 6.12
103 127 90
Sb -0.002 0.499 -0.001
Sb 0.498 -0.001 -0.001
F 0.007 0.267 0.230
F 0.535 0.278 0.767
F 0.124 0.593 0.764
F -0.018 0.139 0.755
F 0.326 0.859 0.234
F 0.460 0.403 0.230
F 0.881 0.727 0.243
F 0.672 0.731 0.768 |
Below is a description of a material. | The chemical formula is: BaTeBr2.
The XRD pattern shows main peaks at: 11.4°(0.19), 23.0°(0.3), 23.4°(0.15), 28.9°(1.0), 30.9°(0.8), 34.8°(0.08), 37.2°(0.31), 40.6°(0.07), 41.3°(0.37), 45.8°(0.15), 47.8°(0.17), 51.7°(0.16), 52.5°(0.33), 55.1°(0.09), 59.9°(0.12), 67.8°(0.2), 68.2°(0.14), 68.9°(0.08), 72.7°(0.08), 83.6°(... | JVASP-135822 | 4.37 4.37 7.74
90 90 90
Ba 0.500 0.500 0.616
Te 0.000 0.000 0.944
Br 0.000 0.000 0.433
Br 0.500 0.500 0.017 |
Below is a description of a material. | The chemical formula is: Ba4Pt.
The XRD pattern shows main peaks at: 11.6°(0.2), 19.1°(0.31), 23.4°(1.0), 27.1°(0.21), 38.7°(0.74), 45.7°(0.48), 55.9°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-100309 | 9.31 9.31 9.31
60 60 60
Ba 0.379 0.379 0.379
Ba 0.379 0.379 0.862
Ba 0.379 0.862 0.379
Ba 0.871 0.871 0.388
Ba 0.871 0.871 0.871
Ba 0.862 0.379 0.379
Ba 0.871 0.388 0.871
Ba 0.388 0.871 0.871
Pt 0.000 0.000 0.000
Pt 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: TmSn7.
The XRD pattern shows main peaks at: 22.9°(1.0), 37.8°(0.84), 44.6°(0.58), 54.5°(0.15), 59.8°(0.24), 68.2°(0.32), 72.9°(0.17), 80.7°(0.1), 85.2°(0.19).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-122620 | 6.74 6.74 6.74
90 90 90
Tm 0.000 0.000 0.500
Sn 0.256 0.256 0.756
Sn 0.000 0.500 0.000
Sn 0.256 0.744 0.244
Sn 0.500 0.000 0.000
Sn 0.744 0.256 0.244
Sn 0.500 0.500 0.500
Sn 0.744 0.744 0.756 |
Below is a description of a material. | The chemical formula is: Be2PdRu.
The XRD pattern shows main peaks at: 11.5°(1.0), 13.4°(0.4), 18.9°(0.18), 21.0°(0.11), 22.3°(0.23), 23.2°(0.22), 24.0°(0.29), 25.0°(0.14), 26.9°(0.07), 28.4°(0.1), 29.3°(0.12), 30.8°(0.16), 31.5°(0.15), 33.1°(0.09), 34.4°(0.06), 35.2°(0.13).
Generate atomic structure description with l... | JVASP-77566 | 8.46 9.15 9.15
61 62 62
Be 0.750 0.000 0.000
Be 0.250 -0.000 -0.000
Pd 0.500 0.000 -0.000
Ru 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: KPb3.
The XRD pattern shows main peaks at: 17.5°(0.16), 24.9°(0.16), 30.6°(1.0), 35.5°(0.53), 39.9°(0.1), 43.9°(0.08), 51.1°(0.39), 54.5°(0.05), 60.8°(0.47), 63.8°(0.14), 75.2°(0.07), 83.4°(0.18), 86.0°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and a... | JVASP-107184 | 5.05 5.05 5.05
90 90 90
K 0.000 0.000 0.000
Pb 0.000 0.500 0.500
Pb 0.500 0.000 0.500
Pb 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: NbSe2Br2.
The XRD pattern shows main peaks at: 13.3°(1.0), 15.6°(0.46), 16.3°(0.21), 16.9°(0.24), 26.7°(0.17), 29.5°(0.75), 30.6°(0.89), 31.2°(0.14), 34.2°(0.58), 36.1°(0.18), 37.2°(0.42), 37.8°(0.47), 39.7°(0.3), 41.1°(0.23), 41.6°(0.26), 41.9°(0.26), 43.4°(0.14), 45.1°(0.16), 51.1°(0.28), 56.... | JVASP-29339 | 6.72 6.79 7.43
67 67 60
Nb 0.875 0.252 1.000
Nb 0.125 0.748 0.000
Se 0.741 0.039 0.864
Se 0.259 0.961 0.136
Se 0.081 0.092 0.670
Se 0.919 0.908 0.330
Br 0.583 0.650 0.769
Br 0.417 0.350 0.231
Br 0.828 0.522 0.230
Br 0.172 0.478 0.770 |
Below is a description of a material. | The chemical formula is: Zr2V3Ru.
The XRD pattern shows main peaks at: 21.6°(0.08), 34.1°(0.53), 38.3°(0.5), 40.7°(1.0), 41.1°(0.42), 44.0°(0.11), 45.5°(0.1), 48.5°(0.1), 61.0°(0.1), 63.8°(0.19), 65.5°(0.21), 70.5°(0.17), 71.7°(0.2), 84.3°(0.1), 88.1°(0.08).
Generate atomic structure description with lattice lengths, a... | JVASP-151983 | 5.27 5.27 8.24
90 90 120
Zr 0.333 0.667 0.060
Zr 0.667 0.333 0.560
Zr 0.667 0.333 0.940
Zr 0.333 0.667 0.440
V 0.830 0.661 0.250
V 0.339 0.170 0.250
V 0.830 0.170 0.250
V 0.170 0.339 0.750
V 0.661 0.830 0.750
V 0.170 0.830 0.750
Ru 0.000 0.000 0.000
Ru 0.000 0.000 0.500 |
Below is a description of a material. | The chemical formula is: Ho8U.
The XRD pattern shows main peaks at: 3.5°(0.16), 30.1°(0.35), 30.7°(0.1), 33.1°(1.0), 34.9°(0.79), 53.0°(0.35), 63.9°(0.16), 65.0°(0.14), 87.6°(0.14), 88.5°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-130809 | 3.46 3.46 25.17
90 90 120
Ho 0.000 0.000 0.220
Ho 0.667 0.333 0.105
Ho 0.667 0.333 0.331
Ho 0.667 0.333 0.556
Ho 0.333 0.667 0.444
Ho 0.333 0.667 0.669
Ho 0.333 0.667 0.895
Ho 0.000 0.000 0.780
U 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: GeMo.
The XRD pattern shows main peaks at: 40.8°(1.0), 59.0°(0.16), 74.2°(0.33), 88.3°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-127825 | 3.13 3.13 3.13
90 90 90
Ge 0.000 0.000 0.000
Mo 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Zr5Sn.
The XRD pattern shows main peaks at: 32.4°(0.26), 34.7°(0.29), 36.9°(1.0), 48.2°(0.16), 57.7°(0.18), 63.6°(0.22), 69.1°(0.21), 70.5°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-94360 | 5.53 5.53 5.17
90 90 120
Zr 0.667 0.333 0.000
Zr 0.333 0.667 0.000
Zr 0.000 0.322 0.500
Zr 0.678 0.678 0.500
Zr 0.322 -0.000 0.500
Sn 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Li3GaAs2.
The XRD pattern shows main peaks at: 28.1°(1.0), 39.3°(0.47), 41.0°(0.48), 50.4°(0.2), 53.5°(0.07), 58.0°(0.15), 64.5°(0.1), 66.9°(0.17), 73.5°(0.15), 74.6°(0.08), 79.7°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-179697 | 4.41 4.41 5.75
90 90 119
Li 0.000 0.000 0.500
Li 0.667 0.333 0.784
Li 0.333 0.667 0.216
Ga 0.000 0.000 -0.000
As 0.667 0.333 0.285
As 0.333 0.667 0.715 |
Below is a description of a material. | The chemical formula is: RbKr.
The XRD pattern shows main peaks at: 21.8°(0.23), 23.0°(0.26), 24.7°(1.0), 31.9°(0.17), 38.2°(0.2), 41.4°(0.25), 45.1°(0.25), 46.0°(0.17), 57.6°(0.09), 61.3°(0.15), 62.1°(0.09), 64.3°(0.06), 71.3°(0.09), 73.9°(0.06), 87.1°(0.06).
Generate atomic structure description with lattice lengths,... | JVASP-127851 | 4.71 4.71 7.75
90 90 120
Rb 0.333 0.667 0.250
Kr 0.667 0.333 0.750 |
Below is a description of a material. | The chemical formula is: Tm3Ga.
The XRD pattern shows main peaks at: 23.2°(0.12), 31.2°(0.26), 34.8°(0.24), 35.8°(1.0), 47.4°(0.16), 55.5°(0.19), 63.0°(0.21), 67.2°(0.22), 67.9°(0.16), 88.9°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-37687 | 6.62 6.62 5.16
90 90 120
Tm 0.826 0.652 0.750
Tm 0.826 0.174 0.750
Tm 0.348 0.174 0.750
Tm 0.174 0.348 0.250
Tm 0.174 0.826 0.250
Tm 0.652 0.826 0.250
Ga 0.667 0.333 0.250
Ga 0.333 0.667 0.750 |
Below is a description of a material. | The chemical formula is: KZn2Au2.
The XRD pattern shows main peaks at: 15.8°(0.09), 21.3°(1.0), 28.1°(0.39), 31.1°(0.72), 31.9°(0.08), 32.4°(0.23), 40.2°(0.62), 43.0°(0.72), 45.2°(0.26), 45.9°(0.27), 51.7°(0.36), 52.2°(0.09), 58.2°(0.19), 62.0°(0.2), 65.8°(0.08), 67.4°(0.07), 75.0°(0.3), 77.1°(0.07), 80.8°(0.16), 81.5°... | JVASP-155788 | 6.45 6.45 6.45
139 139 58
K 0.000 0.000 0.000
Zn 0.750 0.250 0.500
Zn 0.250 0.750 0.500
Au 0.376 0.376 0.000
Au 0.624 0.624 -0.000 |
Below is a description of a material. | The chemical formula is: HfMgO3.
The XRD pattern shows main peaks at: 21.9°(0.95), 31.2°(1.0), 38.5°(0.11), 44.7°(0.33), 50.3°(0.4), 55.5°(0.38), 65.1°(0.21), 69.6°(0.2), 74.0°(0.16), 78.2°(0.06), 82.4°(0.07), 86.6°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-115085 | 4.05 4.05 4.05
90 90 90
Hf 0.500 0.500 0.500
Mg 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: K2SnBr6.
The XRD pattern shows main peaks at: 14.5°(0.28), 16.8°(0.47), 29.3°(0.8), 34.0°(1.0), 48.8°(0.62), 58.0°(0.33), 60.9°(0.21), 71.6°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-56060 | 7.46 7.46 7.46
60 60 60
K 0.250 0.250 0.250
K 0.750 0.750 0.750
Sn 0.000 0.000 0.000
Br 0.750 0.250 0.250
Br 0.250 0.750 0.750
Br 0.250 0.250 0.750
Br 0.750 0.250 0.750
Br 0.750 0.750 0.250
Br 0.250 0.750 0.250 |
Below is a description of a material. | The chemical formula is: Nb2TlO7.
The XRD pattern shows main peaks at: 14.5°(0.51), 16.4°(0.54), 23.6°(0.21), 24.1°(0.19), 27.5°(0.1), 28.8°(1.0), 29.3°(0.97), 33.1°(0.22), 34.0°(0.4), 37.9°(0.22), 41.0°(0.15), 48.2°(0.69), 49.4°(0.14), 56.5°(0.16), 57.4°(0.27), 58.2°(0.29), 59.7°(0.12), 60.7°(0.11).
Generate atomic st... | JVASP-122471 | 7.56 7.56 7.56
121 120 88
Nb 0.500 -0.000 -0.000
Nb 0.500 0.500 0.500
Nb 0.500 -0.000 0.500
Nb 0.000 0.000 0.000
Tl -0.000 0.500 -0.000
Tl -0.000 -0.000 0.500
O 0.572 0.314 0.628
O 0.187 0.944 0.872
O 0.572 0.944 0.258
O 0.187 0.314 0.242
O 0.563 0.313 0.250
O 0.190 0.940 0.250
O 0.428 0.056 0.742
O 0.813 0.056 0.128
O... |
Below is a description of a material. | The chemical formula is: BeTcGe.
The XRD pattern shows main peaks at: 15.1°(0.5), 30.4°(0.16), 36.5°(0.22), 39.7°(1.0), 46.4°(0.16), 48.2°(0.48), 60.4°(0.11), 65.7°(0.17), 67.8°(0.05), 74.1°(0.08), 75.4°(0.14), 79.6°(0.12), 84.2°(0.16), 85.5°(0.09).
Generate atomic structure description with lattice lengths, angles, co... | JVASP-68771 | 2.84 2.84 5.87
90 90 120
Be 0.000 0.000 0.989
Tc 0.333 0.667 0.682
Ge 0.667 0.333 0.329 |
Below is a description of a material. | The chemical formula is: CdRh3C.
The XRD pattern shows main peaks at: 38.0°(1.0), 44.1°(0.55), 64.2°(0.34), 77.1°(0.35), 81.2°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-191500 | 4.10 4.10 4.10
90 90 90
C 0.500 0.500 0.500
Rh 0.000 0.500 0.500
Rh 0.500 0.000 0.500
Rh 0.500 0.500 0.000
Cd 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: NaN3.
The XRD pattern shows main peaks at: 20.1°(0.1), 21.9°(0.15), 25.6°(0.98), 30.7°(1.0), 31.6°(0.73), 33.7°(0.19), 41.1°(0.18), 41.7°(0.3), 44.6°(0.47), 47.5°(0.17), 50.8°(0.07), 51.7°(0.11), 52.1°(0.29), 52.7°(0.26), 63.7°(0.08), 70.6°(0.06), 72.4°(0.1), 73.2°(0.07), 79.7°(0.06), 84.9°(0.0... | JVASP-79513 | 4.21 4.21 6.20
59 59 87
Na 0.000 0.000 0.000
N 0.500 0.500 0.500
N 0.933 0.933 0.623
N 0.067 0.067 0.377 |
Below is a description of a material. | The chemical formula is: Ba3SnS.
The XRD pattern shows main peaks at: 25.7°(1.0), 29.8°(0.72), 42.7°(0.48), 50.5°(0.51), 52.9°(0.19), 61.9°(0.09), 68.2°(0.21), 70.2°(0.25), 78.1°(0.19), 83.8°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-182544 | 6.00 6.00 6.00
90 90 90
Ba 0.500 0.000 0.500
Ba 0.500 0.500 0.000
Ba 0.000 0.500 0.500
Sn 0.000 0.000 0.000
S 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: BaYBr2.
The XRD pattern shows main peaks at: 22.7°(0.23), 24.5°(0.26), 30.8°(0.9), 31.6°(1.0), 34.4°(0.08), 38.6°(0.23), 41.0°(0.09), 44.1°(0.32), 46.8°(0.12), 50.2°(0.11), 51.1°(0.07), 51.8°(0.14), 55.3°(0.38), 57.1°(0.07), 64.2°(0.1), 70.3°(0.11), 72.9°(0.13), 73.3°(0.08), 77.5°(0.06), 89.7°(... | JVASP-133865 | 4.11 4.11 7.82
90 90 90
Ba 0.500 0.500 0.593
Y 0.000 0.000 0.976
Br 0.000 0.000 0.364
Br 0.500 0.500 0.078 |
Below is a description of a material. | The chemical formula is: CrN2.
The XRD pattern shows main peaks at: 27.2°(1.0), 39.1°(0.48), 43.9°(0.08), 56.3°(0.52), 63.5°(0.1), 70.5°(0.16), 77.6°(0.07), 83.5°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-36551 | 4.64 4.64 2.65
90 90 90
Cr 0.500 0.500 0.500
Cr 0.000 0.000 0.000
N 0.799 0.201 0.500
N 0.201 0.799 0.500
N 0.299 0.299 0.000
N 0.701 0.701 0.000 |
Below is a description of a material. | The chemical formula is: RbCo2Se2.
The XRD pattern shows main peaks at: 12.9°(0.31), 26.0°(0.06), 30.2°(1.0), 32.5°(0.11), 35.1°(0.29), 42.1°(0.18), 46.6°(0.33), 52.0°(0.45), 56.6°(0.32), 68.1°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-92419 | 3.89 3.89 7.38
105 105 90
Rb 0.000 0.000 0.000
Co 0.250 0.750 0.500
Co 0.750 0.250 0.500
Se 0.347 0.347 0.694
Se 0.653 0.653 0.306 |
Below is a description of a material. | The chemical formula is: Mg2Mn2O5.
The XRD pattern shows main peaks at: 18.8°(0.05), 24.0°(0.54), 24.7°(0.28), 30.1°(0.12), 30.8°(0.15), 34.0°(0.54), 34.7°(1.0), 39.9°(0.09), 46.0°(0.08), 49.2°(0.36), 50.6°(0.34), 52.8°(0.08), 55.8°(0.07), 56.7°(0.07), 61.3°(0.3), 62.4°(0.15), 73.2°(0.21), 84.7°(0.07).
Generate atomic ... | JVASP-9566 | 3.61 5.28 10.42
90 90 90
Mg 0.500 0.264 0.350
Mg 0.500 0.736 0.150
Mg 0.500 0.764 0.650
Mg 0.500 0.236 0.850
Mn 0.000 0.229 0.617
Mn 0.000 0.771 0.883
Mn 0.000 0.271 0.117
Mn 0.000 0.729 0.383
O 0.500 0.177 0.656
O 0.000 0.867 0.562
O 0.500 0.677 0.344
O 0.500 0.323 0.156
O 0.000 0.500 0.750
O 0.000 0.633 0.062
O 0.000... |
Below is a description of a material. | The chemical formula is: TiSe.
The XRD pattern shows main peaks at: 29.9°(0.3), 32.6°(0.28), 39.9°(1.0), 50.1°(0.07), 53.0°(0.33), 62.2°(0.09), 68.4°(0.17), 78.4°(0.19).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-15849 | 3.46 3.46 6.89
90 90 120
Ti 0.667 0.333 0.750
Ti 0.333 0.667 0.250
Se 0.000 0.000 0.500
Se 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: UGaNi2.
The XRD pattern shows main peaks at: 23.2°(0.34), 23.9°(0.29), 33.5°(1.0), 40.7°(0.98), 43.4°(0.26), 47.8°(0.27), 53.7°(0.26), 54.8°(0.27), 61.0°(0.08), 65.5°(0.12), 69.6°(0.26), 70.5°(0.13), 74.1°(0.17), 84.7°(0.16), 88.2°(0.11).
Generate atomic structure description with lattice lengt... | JVASP-149908 | 4.43 4.43 7.45
90 90 119
U 0.000 0.000 0.000
U 0.000 0.000 0.500
Ga 0.667 0.333 0.250
Ga 0.333 0.667 0.750
Ni 0.667 0.333 0.596
Ni 0.333 0.667 0.096
Ni 0.333 0.667 0.404
Ni 0.667 0.333 0.904 |
Below is a description of a material. | The chemical formula is: YMgAl.
The XRD pattern shows main peaks at: 13.9°(0.12), 19.6°(0.25), 24.1°(0.21), 28.0°(0.35), 31.3°(0.81), 34.4°(1.0), 37.3°(0.35), 39.8°(0.24), 49.3°(0.17), 51.6°(0.2), 55.7°(0.49), 67.1°(0.29), 68.7°(0.14), 84.2°(0.1).
Generate atomic structure description with lattice lengths, angles, coor... | JVASP-17163 | 7.37 7.37 4.53
90 90 119
Y 0.432 -0.000 0.000
Y 0.568 0.568 0.000
Y -0.000 0.432 0.000
Mg 0.242 0.242 0.500
Mg -0.000 0.758 0.500
Mg 0.758 -0.000 0.500
Al 0.667 0.333 0.500
Al 0.000 0.000 0.000
Al 0.333 0.667 0.500 |
Below is a description of a material. | The chemical formula is: LaYMn2Si2.
The XRD pattern shows main peaks at: 12.0°(0.1), 24.2°(0.07), 25.4°(0.88), 31.8°(0.33), 33.1°(1.0), 34.1°(0.74), 36.6°(0.3), 40.3°(0.89), 45.6°(0.61), 52.9°(0.25), 54.9°(0.32), 57.5°(0.42), 59.8°(0.29), 66.4°(0.19), 72.4°(0.13), 74.1°(0.24), 76.3°(0.08), 76.8°(0.12), 78.3°(0.12), 80.... | JVASP-101173 | 3.98 3.98 7.37
90 90 90
La 0.500 0.500 0.339
Y 0.000 0.000 0.689
Mn 0.500 0.000 0.994
Mn 0.000 0.500 0.994
Si 0.500 0.500 0.806
Si 0.000 0.000 0.177 |
Below is a description of a material. | The chemical formula is: LiGaSO.
The XRD pattern shows main peaks at: 13.9°(0.62), 21.4°(1.0), 25.0°(0.21), 28.7°(0.66), 32.5°(0.27), 32.8°(0.3), 33.1°(0.29), 35.7°(0.12), 41.4°(0.55), 44.1°(0.18), 49.9°(0.26), 51.2°(0.16), 56.1°(0.12), 58.3°(0.16), 58.7°(0.22), 61.0°(0.12), 62.1°(0.11), 63.9°(0.09), 64.4°(0.1), 81.3°(... | JVASP-159852 | 3.57 6.38 5.46
90 90 90
Li 0.000 0.279 0.112
Li 0.000 0.721 0.612
Ga 0.500 0.867 0.032
Ga 0.500 0.133 0.532
S 0.000 0.679 0.163
S 0.000 0.321 0.663
O 0.500 0.132 0.184
O 0.500 0.868 0.684 |
Below is a description of a material. | The chemical formula is: BeGa2O4.
The XRD pattern shows main peaks at: 13.0°(0.45), 22.5°(0.7), 26.4°(0.57), 32.4°(1.0), 35.0°(0.42), 39.8°(0.45), 46.2°(0.08), 48.3°(0.14), 50.2°(0.25), 50.6°(0.12), 56.0°(0.23), 57.9°(0.09), 58.9°(0.11), 59.6°(0.06), 61.2°(0.12), 66.0°(0.07), 67.2°(0.14), 67.8°(0.25), 70.5°(0.09), 72.5... | JVASP-169119 | 3.03 7.90 7.82
59 90 90
Be 0.750 0.177 0.593
Be 0.250 0.823 0.407
Ga 0.750 0.206 0.191
Ga 0.750 0.586 0.253
Ga 0.250 0.794 0.809
Ga 0.250 0.414 0.747
O 0.750 0.319 0.349
O 0.250 0.681 0.651
O 0.750 0.700 0.973
O 0.750 0.331 0.679
O 0.750 0.939 0.341
O 0.250 0.300 0.027
O 0.250 0.669 0.321
O 0.250 0.061 0.659 |
Below is a description of a material. | The chemical formula is: TmMo6S8.
The XRD pattern shows main peaks at: 13.7°(0.69), 19.3°(0.92), 23.6°(0.28), 23.9°(0.41), 31.0°(0.64), 34.0°(0.74), 41.5°(0.62), 42.1°(1.0), 44.1°(0.67), 44.4°(0.41), 46.6°(0.94), 48.2°(0.13), 60.8°(0.29), 64.1°(0.23), 71.9°(0.22).
Generate atomic structure description with lattice leng... | JVASP-166122 | 6.47 6.47 6.47
89 90 90
Tm 0.000 -0.000 -0.000
Mo 0.421 0.440 0.777
Mo 0.223 0.579 0.440
Mo 0.560 0.777 0.579
Mo 0.579 0.560 0.223
Mo 0.777 0.421 0.560
Mo 0.440 0.223 0.421
S 0.236 0.764 0.764
S 0.764 0.236 0.236
S 0.366 0.873 0.244
S 0.756 0.634 0.873
S 0.127 0.244 0.634
S 0.634 0.127 0.756
S 0.244 0.366 0.127
S 0.873... |
Below is a description of a material. | The chemical formula is: KAu5.
The XRD pattern shows main peaks at: 17.7°(0.85), 31.0°(0.11), 35.9°(0.25), 36.9°(0.99), 39.7°(0.32), 41.2°(1.0), 43.8°(0.19), 54.6°(0.14), 59.0°(0.24), 64.5°(0.23), 70.3°(0.15), 73.1°(0.18), 78.5°(0.28), 79.5°(0.16).
Generate atomic structure description with lattice lengths, angles, coo... | JVASP-93929 | 5.78 5.78 4.54
90 90 120
K 0.000 0.000 0.000
Au 0.667 0.333 0.000
Au 0.500 0.000 0.500
Au 0.500 0.500 0.500
Au -0.000 0.500 0.500
Au 0.333 0.667 0.000 |
Below is a description of a material. | The chemical formula is: CsPr3.
The XRD pattern shows main peaks at: 6.7°(0.13), 20.1°(0.06), 26.8°(0.26), 28.0°(0.39), 30.4°(1.0), 34.0°(0.21), 38.6°(0.19), 43.9°(0.06), 48.1°(0.25), 55.9°(0.22), 56.6°(0.06), 58.0°(0.15), 78.5°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and ... | JVASP-124006 | 3.78 3.78 13.28
90 90 119
Cs 0.000 0.000 0.000
Pr 0.000 0.000 0.500
Pr 0.333 0.667 0.283
Pr 0.667 0.333 0.717 |
Below is a description of a material. | The chemical formula is: MgCuN.
The XRD pattern shows main peaks at: 19.9°(0.41), 23.2°(0.28), 28.4°(0.4), 31.8°(0.11), 34.8°(0.24), 36.0°(0.6), 38.9°(0.15), 39.7°(0.28), 44.7°(1.0), 47.4°(0.07), 48.1°(0.21), 48.7°(0.27), 50.4°(0.15), 55.5°(0.12), 56.1°(0.21), 63.2°(0.07), 69.8°(0.12), 77.4°(0.12), 78.7°(0.07), 80.0°(0... | JVASP-120561 | 7.68 3.28 5.47
90 90 90
Mg 0.647 0.250 0.414
Mg 0.147 0.250 0.086
Mg 0.353 0.750 0.586
Mg 0.853 0.750 0.914
Cu 0.570 0.250 0.874
Cu 0.070 0.250 0.626
Cu 0.430 0.750 0.126
Cu 0.930 0.750 0.374
N 0.866 0.250 0.176
N 0.366 0.250 0.324
N 0.134 0.750 0.824
N 0.634 0.750 0.676 |
Below is a description of a material. | The chemical formula is: ScB4Ir3.
The XRD pattern shows main peaks at: 13.4°(0.05), 23.3°(0.36), 26.9°(0.23), 34.9°(1.0), 35.9°(0.31), 37.5°(0.71), 40.9°(0.2), 44.6°(0.16), 49.6°(0.47), 52.8°(0.16), 54.8°(0.05), 56.7°(0.35), 58.4°(0.05), 65.5°(0.11), 67.3°(0.16), 68.8°(0.05), 75.4°(0.25), 77.0°(0.19), 88.3°(0.05).
Gene... | JVASP-21571 | 7.65 7.65 3.47
90 90 120
Sc 0.333 0.667 0.750
Sc 0.667 0.333 0.250
B 0.600 0.549 0.750
B 0.051 0.600 0.250
B 0.549 0.949 0.250
B 0.451 0.051 0.750
B 0.000 0.000 0.000
B 0.400 0.451 0.250
B 0.000 0.000 0.500
B 0.949 0.400 0.750
Ir 0.745 0.077 0.750
Ir 0.332 0.255 0.750
Ir 0.668 0.745 0.250
Ir 0.077 0.332 0.250
Ir 0.255 ... |
Below is a description of a material. | The chemical formula is: Be3F.
The XRD pattern shows main peaks at: 20.3°(0.12), 23.4°(1.0), 28.6°(0.22), 33.5°(0.63), 39.3°(0.58), 40.0°(0.2), 40.4°(0.19), 41.2°(0.11), 44.4°(0.05), 47.9°(0.14), 53.7°(0.21), 54.3°(0.2), 55.6°(0.07), 59.3°(0.12), 64.7°(0.1), 65.2°(0.08), 72.8°(0.05), 77.3°(0.06), 82.4°(0.05), 87.5°(0.0... | JVASP-182604 | 4.59 4.05 2.47
71 75 77
Be 0.081 0.052 0.924
Be 0.897 0.675 0.702
Be 0.715 0.296 0.479
F 0.398 0.174 0.702 |
Below is a description of a material. | The chemical formula is: HfZnCu4.
The XRD pattern shows main peaks at: 22.3°(0.12), 25.8°(0.1), 36.9°(0.48), 43.5°(1.0), 45.6°(0.25), 66.4°(0.17), 71.0°(0.29), 78.5°(0.21).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-186339 | 4.88 4.88 4.88
60 60 60
Hf -0.000 -0.000 -0.000
Zn 0.250 0.250 0.250
Cu 0.625 0.625 0.625
Cu 0.126 0.625 0.625
Cu 0.625 0.126 0.625
Cu 0.625 0.625 0.126 |
Below is a description of a material. | The chemical formula is: LiC.
The XRD pattern shows main peaks at: 27.1°(0.34), 44.3°(0.08), 52.7°(1.0), 56.0°(0.2), 64.4°(0.24).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-139323 | 2.89 3.29 2.04
90 45 90
Li 0.020 0.075 0.968
C 0.520 0.575 0.968 |
Below is a description of a material. | The chemical formula is: YbCeMg2.
The XRD pattern shows main peaks at: 23.1°(0.62), 32.9°(1.0), 40.6°(0.19), 47.2°(0.18), 53.2°(0.27), 58.8°(0.34), 69.0°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-101038 | 5.44 5.44 5.44
60 60 60
Yb 0.000 0.000 0.000
Ce 0.500 0.500 0.500
Mg 0.250 0.250 0.250
Mg 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: CaTi4S8.
The XRD pattern shows main peaks at: 15.1°(0.21), 15.4°(0.24), 17.5°(0.05), 29.0°(0.15), 35.5°(1.0), 38.9°(0.06), 50.5°(0.35), 51.5°(0.31), 63.2°(0.16), 65.0°(0.05), 75.0°(0.09), 86.6°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types... | JVASP-10901 | 7.10 7.23 7.23
60 59 59
Ca 0.500 -0.000 -0.000
Ti -0.000 0.500 0.500
Ti 0.500 0.500 -0.000
Ti 0.500 0.500 0.500
Ti 0.500 -0.000 0.500
S 0.248 0.262 0.262
S 0.248 0.262 0.729
S 0.248 0.729 0.262
S 0.732 0.256 0.256
S 0.268 0.744 0.744
S 0.752 0.738 0.271
S 0.752 0.271 0.738
S 0.752 0.738 0.738 |
Below is a description of a material. | The chemical formula is: U3Bi4Rh3.
The XRD pattern shows main peaks at: 28.8°(0.39), 34.2°(1.0), 41.2°(0.26), 45.3°(0.13), 59.6°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-120460 | 8.49 8.49 8.49
109 109 109
U 0.625 0.375 0.750
U 0.875 0.125 0.250
U 0.375 0.750 0.625
U 0.125 0.250 0.875
U 0.750 0.625 0.375
U 0.250 0.875 0.125
Bi 0.500 0.179 -0.000
Bi -0.000 0.500 0.179
Bi 0.179 -0.000 0.500
Bi -0.000 0.500 0.679
Bi 0.321 0.321 0.321
Bi 0.500 0.679 -0.000
Bi 0.679 -0.000 0.500
Bi 0.821 0.821 0.821... |
Below is a description of a material. | The chemical formula is: TaTi2Sn.
The XRD pattern shows main peaks at: 20.0°(0.05), 24.6°(0.2), 28.4°(0.29), 37.9°(1.0), 40.6°(0.42), 48.0°(0.13), 50.4°(0.11), 58.8°(0.19), 64.7°(0.06), 66.6°(0.22), 72.1°(0.3), 81.0°(0.1), 86.4°(0.09), 87.9°(0.09).
Generate atomic structure description with lattice lengths, angles, coo... | JVASP-190961 | 3.62 4.44 4.44
90 90 90
Ti 0.000 0.000 0.500
Ti 0.000 0.500 0.000
Sn 0.500 0.000 0.000
Ta 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: SrCaNbCrO6.
The XRD pattern shows main peaks at: 19.6°(0.15), 22.6°(0.07), 32.2°(1.0), 38.0°(0.09), 46.2°(0.4), 57.6°(0.29), 67.5°(0.14), 76.7°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-173819 | 5.58 5.54 7.84
90 90 90
Sr 0.977 0.504 0.250
Sr 0.523 0.004 0.750
Ca 0.041 0.491 0.752
Ca 0.459 0.991 0.252
Nb 0.502 0.500 0.499
Nb -0.002 0.000 -0.001
Cr 0.501 0.500 0.000
Cr 0.999 0.000 0.500
O 0.712 0.792 0.461
O 0.788 0.292 0.961
O 0.275 0.221 0.530
O 0.225 0.721 0.030
O 0.222 0.726 0.468
O 0.278 0.226 0.968
O 0.79... |
Below is a description of a material. | The chemical formula is: MgNCl.
The XRD pattern shows main peaks at: 18.8°(0.25), 30.3°(1.0), 38.2°(0.41), 41.1°(0.86), 45.5°(0.07), 57.3°(0.42), 58.8°(0.06), 59.5°(0.25), 68.2°(0.15), 72.9°(0.19), 74.2°(0.11), 74.7°(0.19), 77.2°(0.11), 88.5°(0.07), 89.1°(0.07).
Generate atomic structure description with lattice length... | JVASP-136371 | 5.20 5.20 5.20
145 145 50
Mg 0.075 0.075 0.000
N 0.564 0.564 0.000
Cl 0.361 0.361 0.000 |
Below is a description of a material. | The chemical formula is: TaBr4O.
The XRD pattern shows main peaks at: 13.8°(0.62), 19.6°(0.14), 25.0°(1.0), 31.2°(0.8), 32.0°(0.36), 37.8°(0.19), 39.8°(0.11), 42.9°(0.28), 44.8°(0.33), 46.9°(0.15), 47.6°(0.44), 56.1°(0.15), 57.5°(0.27), 60.0°(0.2), 65.2°(0.08), 66.9°(0.2), 74.1°(0.1), 81.2°(0.12), 84.1°(0.08), 87.7°(0.... | JVASP-134291 | 6.69 6.69 6.69
94 94 146
Ta 0.982 0.982 0.000
Br 0.068 0.713 0.817
Br 0.896 0.251 0.183
Br 0.713 0.896 0.645
Br 0.251 0.068 0.355
O 0.482 0.482 0.000 |
Below is a description of a material. | The chemical formula is: NbI3.
The XRD pattern shows main peaks at: 7.9°(0.13), 23.9°(0.2), 26.0°(0.56), 29.0°(0.11), 32.2°(1.0), 35.6°(0.14), 37.0°(0.15), 41.7°(0.09), 43.0°(0.09), 49.9°(0.29), 53.5°(0.09), 57.5°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-124493 | 3.88 3.88 11.17
89 89 124
Nb 0.250 0.250 0.125
I 0.250 0.250 0.625
I 0.750 0.750 0.317
I 0.750 0.750 0.933 |
Below is a description of a material. | The chemical formula is: LiVF3.
The XRD pattern shows main peaks at: 19.2°(0.5), 20.5°(0.38), 23.4°(0.27), 32.5°(0.25), 34.0°(0.11), 39.4°(1.0), 40.1°(0.08), 47.8°(0.14), 50.3°(0.08), 52.7°(0.46), 60.9°(0.29), 70.9°(0.1), 75.0°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and at... | JVASP-100465 | 5.53 5.53 5.53
56 56 56
Li 0.138 0.138 0.138
Li 0.862 0.862 0.862
V 0.345 0.345 0.345
V 0.655 0.655 0.655
F 0.437 0.755 0.057
F 0.057 0.437 0.755
F 0.245 0.943 0.563
F 0.755 0.057 0.437
F 0.943 0.563 0.245
F 0.563 0.245 0.943 |
Below is a description of a material. | The chemical formula is: TbSe2.
The XRD pattern shows main peaks at: 15.6°(0.52), 24.9°(0.27), 27.3°(1.0), 33.3°(0.4), 34.0°(0.09), 37.4°(0.36), 42.5°(0.33), 43.5°(0.53), 46.5°(0.07), 47.3°(0.15), 48.1°(0.05), 50.8°(0.08), 51.7°(0.11), 55.9°(0.18), 58.4°(0.11), 66.2°(0.11), 69.4°(0.08), 70.2°(0.15), 76.5°(0.08).
Genera... | JVASP-123713 | 4.28 4.16 5.94
90 104 119
Tb -0.000 0.333 0.167
Se 0.772 0.719 0.429
Se 0.228 -0.052 0.904 |
Below is a description of a material. | The chemical formula is: Be2SiOs.
The XRD pattern shows main peaks at: 18.4°(0.98), 29.3°(1.0), 34.9°(0.84), 37.4°(0.28), 42.0°(0.54), 46.2°(0.41), 48.2°(0.72), 57.4°(0.37), 60.9°(0.18), 64.2°(0.16), 65.8°(0.15), 69.0°(0.2), 72.1°(0.21), 73.7°(0.24), 81.2°(0.33), 87.1°(0.11), 88.6°(0.06).
Generate atomic structure desc... | JVASP-69642 | 3.04 3.04 4.81
90 90 90
Be 0.000 0.000 0.764
Be 0.000 0.000 0.236
Si 0.500 0.500 0.500
Os 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: ZrMo2O8.
The XRD pattern shows main peaks at: 19.9°(0.4), 25.9°(0.66), 28.8°(1.0), 35.2°(0.52), 43.9°(0.28), 49.3°(0.16), 51.1°(0.18), 53.3°(0.21), 59.7°(0.23), 61.8°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-12152 | 4.47 6.20 6.20
60 90 90
Zr 0.000 0.000 0.000
Mo 0.838 0.333 0.333
Mo 0.162 0.667 0.667
O 0.753 0.663 0.168
O 0.247 0.832 0.337
O 0.247 0.337 0.832
O 0.247 0.832 0.832
O 0.753 0.168 0.168
O 0.222 0.333 0.333
O 0.778 0.667 0.667
O 0.753 0.168 0.663 |
Below is a description of a material. | The chemical formula is: RbBe2P2.
The XRD pattern shows main peaks at: 12.0°(0.19), 24.2°(0.08), 25.9°(0.21), 31.2°(1.0), 35.9°(0.3), 36.6°(0.13), 38.0°(0.15), 39.8°(0.11), 51.7°(0.13), 52.2°(0.25), 61.6°(0.27), 62.6°(0.12), 65.0°(0.1), 84.5°(0.06), 85.4°(0.08).
Generate atomic structure description with lattice length... | JVASP-190586 | 3.54 3.54 7.77
76 76 90
P 0.341 0.341 0.318
P 0.659 0.659 0.682
Rb -0.000 -0.000 0.000
Be 0.750 0.250 0.500
Be 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: ZnWO4.
The XRD pattern shows main peaks at: 15.3°(0.1), 18.9°(0.36), 23.6°(0.38), 24.4°(0.42), 30.3°(1.0), 30.5°(0.98), 31.0°(0.2), 36.0°(0.41), 38.3°(0.17), 41.0°(0.19), 48.3°(0.14), 50.0°(0.13), 51.3°(0.26), 53.3°(0.29), 53.7°(0.2), 61.2°(0.14), 61.7°(0.12), 64.2°(0.22), 64.5°(0.23), 67.6°(0.... | JVASP-151910 | 5.77 4.70 4.97
89 90 90
Zn 0.678 0.500 0.250
Zn 0.322 0.500 0.750
W 0.181 0.000 0.250
W 0.819 0.000 0.750
O 0.106 0.783 0.935
O 0.106 0.217 0.565
O 0.894 0.217 0.065
O 0.894 0.783 0.435
O 0.376 0.743 0.403
O 0.376 0.257 0.097
O 0.624 0.257 0.597
O 0.624 0.743 0.903 |
Below is a description of a material. | The chemical formula is: Ti9O10.
The XRD pattern shows main peaks at: 9.1°(0.31), 20.1°(0.27), 22.1°(0.14), 24.1°(0.25), 24.8°(0.07), 31.1°(0.28), 36.9°(0.2), 37.7°(0.28), 40.8°(0.08), 42.7°(1.0), 44.7°(0.43), 56.2°(0.09), 63.4°(0.26), 78.9°(0.06), 80.6°(0.1).
Generate atomic structure description with lattice lengths,... | JVASP-116636 | 5.09 5.09 10.01
83 83 120
Ti 0.841 0.159 0.500
Ti 0.575 0.896 0.255
Ti 0.352 0.648 0.000
Ti 0.104 0.425 0.745
Ti 0.425 0.104 0.745
Ti 0.159 0.841 0.500
Ti 0.896 0.575 0.255
Ti 0.648 0.352 0.000
Ti 0.000 0.000 0.000
O 0.059 0.712 0.881
O 0.288 0.941 0.119
O 0.550 0.191 0.376
O 0.809 0.450 0.624
O 0.450 0.809 0.624
O 0.9... |
Below is a description of a material. | The chemical formula is: Tm2AgRu.
The XRD pattern shows main peaks at: 25.9°(0.06), 36.9°(1.0), 53.2°(0.17), 66.6°(0.38), 78.7°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-41455 | 4.87 4.87 4.87
60 60 60
Tm 0.000 0.000 0.000
Tm 0.500 0.500 0.500
Ag 0.250 0.250 0.250
Ru 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: TiBeIr.
The XRD pattern shows main peaks at: 24.2°(1.0), 32.9°(0.29), 41.2°(0.52), 42.6°(0.49), 49.6°(0.15), 54.8°(0.4), 60.8°(0.19), 67.4°(0.12), 74.2°(0.09), 77.1°(0.18), 78.0°(0.08), 84.5°(0.14), 87.3°(0.1), 89.6°(0.06).
Generate atomic structure description with lattice lengths, angles, coo... | JVASP-182613 | 4.24 4.24 2.72
90 90 120
Ti 0.667 0.333 0.500
Be -0.000 -0.000 -0.000
Ir 0.333 0.667 0.500 |
Below is a description of a material. | The chemical formula is: SrIn2Ir.
The XRD pattern shows main peaks at: 16.0°(0.77), 19.4°(0.18), 24.6°(0.24), 31.2°(0.92), 31.9°(0.21), 33.8°(1.0), 34.2°(0.46), 36.8°(0.17), 38.9°(0.57), 39.3°(0.35), 39.9°(0.82), 41.8°(0.53), 44.3°(0.2), 46.5°(0.2), 54.6°(0.15), 55.1°(0.26), 58.8°(0.24), 62.6°(0.4), 66.2°(0.18), 71.1°(... | JVASP-17728 | 4.32 5.94 8.18
90 90 111
Sr 0.062 0.125 0.750
Sr 0.938 0.875 0.250
In 0.348 0.696 0.948
In 0.348 0.696 0.552
In 0.652 0.304 0.052
In 0.652 0.304 0.448
Ir 0.781 0.562 0.750
Ir 0.219 0.438 0.250 |
Below is a description of a material. | The chemical formula is: Er2Si3.
The XRD pattern shows main peaks at: 22.4°(0.31), 26.3°(0.29), 26.7°(0.55), 35.1°(1.0), 45.7°(0.14), 46.7°(0.26), 47.3°(0.13), 52.4°(0.14), 52.9°(0.06), 53.7°(0.19), 54.9°(0.08), 59.4°(0.11), 60.1°(0.19), 67.4°(0.17), 67.9°(0.08), 74.2°(0.09), 77.5°(0.11), 78.7°(0.07), 79.2°(0.09), 79.9... | JVASP-107348 | 3.84 3.97 6.77
90 90 90
Er 0.000 0.500 0.003
Er 0.500 0.500 0.496
Si 0.500 0.000 0.810
Si 0.500 0.000 0.155
Si 0.000 0.000 0.365 |
Below is a description of a material. | The chemical formula is: PaGa3.
The XRD pattern shows main peaks at: 20.7°(0.32), 29.4°(0.29), 36.2°(1.0), 42.0°(0.45), 47.3°(0.17), 52.1°(0.13), 61.0°(0.32), 65.1°(0.09), 69.1°(0.06), 73.0°(0.38), 76.8°(0.11), 84.3°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-41820 | 4.30 4.30 4.30
90 90 90
Pa 0.000 0.000 0.000
Ga 0.500 0.500 0.000
Ga 0.500 0.000 0.500
Ga 0.000 0.500 0.500 |
Below is a description of a material. | The chemical formula is: P.
The XRD pattern shows main peaks at: 14.5°(0.12), 16.1°(0.15), 19.4°(0.45), 21.7°(1.0), 25.2°(0.23), 27.0°(0.09), 29.2°(0.15), 32.5°(0.23), 33.6°(0.36), 34.1°(0.15), 35.3°(0.21), 37.9°(0.07), 39.5°(0.08), 44.4°(0.11), 47.8°(0.15), 51.5°(0.33), 52.1°(0.2), 53.9°(0.18), 55.9°(0.17).
Generate a... | JVASP-7758 | 5.51 6.15 6.15
84 89 89
P 0.237 0.146 0.146
P 0.763 0.854 0.854
P 0.571 0.281 0.281
P 0.429 0.719 0.719
P 0.244 0.492 0.223
P 0.756 0.777 0.508
P 0.756 0.508 0.777
P 0.244 0.223 0.492 |
Below is a description of a material. | The chemical formula is: NiO2.
The XRD pattern shows main peaks at: 18.7°(1.0), 37.3°(0.13), 39.0°(0.39), 45.0°(0.08), 49.1°(0.33), 59.1°(0.11), 64.8°(0.08), 66.2°(0.12), 69.5°(0.13), 77.6°(0.07), 86.7°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-237 | 2.82 4.89 5.02
99 73 89
Ni 0.000 0.000 0.000
Ni 0.500 0.500 -0.000
O 0.099 0.300 0.801
O 0.599 0.800 0.801
O 0.901 0.700 0.199
O 0.401 0.200 0.199 |
Below is a description of a material. | The chemical formula is: In2Cl.
The XRD pattern shows main peaks at: 17.4°(1.0), 26.9°(0.7), 29.2°(0.49), 32.2°(0.45), 34.0°(0.23), 34.4°(0.23), 35.2°(0.32), 40.1°(0.4), 43.9°(0.22), 44.2°(0.22), 44.8°(0.28), 46.0°(0.12), 46.7°(0.13), 54.1°(0.16), 54.7°(0.15), 55.4°(0.08), 58.6°(0.08), 63.9°(0.14), 66.9°(0.07), 67.4°(0... | JVASP-135221 | 5.91 3.31 6.11
90 59 90
In -0.013 0.000 -0.101
In -0.053 0.000 0.419
Cl 0.466 0.000 0.082 |
Below is a description of a material. | The chemical formula is: CaLa2Tm.
The XRD pattern shows main peaks at: 18.6°(0.15), 30.6°(1.0), 36.0°(0.09), 43.8°(0.19), 54.4°(0.36), 63.7°(0.11), 72.3°(0.16), 88.5°(0.2).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-157148 | 5.85 5.85 5.85
60 60 60
Ca 0.250 0.250 0.250
La 0.500 0.500 0.500
La 0.000 0.000 0.000
Tm 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: NaRe3.
The XRD pattern shows main peaks at: 24.7°(0.17), 28.5°(0.09), 40.8°(1.0), 48.3°(0.09), 59.1°(0.16), 74.3°(0.34), 88.4°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-38669 | 4.42 4.42 4.42
120 120 89
Na 0.000 0.000 0.000
Re 0.750 0.250 0.500
Re 0.250 0.750 0.500
Re 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: TiAsRu2.
The XRD pattern shows main peaks at: 24.9°(0.09), 41.2°(1.0), 59.7°(0.16), 75.1°(0.32), 89.4°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-75654 | 4.38 4.38 4.38
60 60 60
Ti 0.750 0.750 0.750
As 0.500 0.500 0.500
Ru 0.000 0.000 0.000
Ru 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: Ge3N.
The XRD pattern shows main peaks at: 16.0°(0.06), 31.9°(1.0), 33.3°(0.18), 33.9°(0.11), 40.2°(0.09), 41.6°(0.24), 44.7°(0.05), 45.3°(0.05), 48.3°(0.06), 49.5°(0.17), 50.7°(0.11), 55.5°(0.07), 61.2°(0.1), 63.9°(0.07), 69.9°(0.07).
Generate atomic structure description with lattice lengths,... | JVASP-115024 | 2.93 4.62 5.95
71 85 110
Ge 0.141 0.214 0.862
Ge 0.488 0.806 0.550
Ge 0.411 0.522 0.239
N 0.146 0.095 0.550 |
Below is a description of a material. | The chemical formula is: SiBiO3.
The XRD pattern shows main peaks at: 23.5°(0.65), 33.4°(1.0), 41.3°(0.4), 48.0°(0.32), 54.1°(0.32), 59.8°(0.41), 70.2°(0.18), 75.2°(0.16), 80.1°(0.19), 84.9°(0.14), 89.6°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-136057 | 3.79 3.79 3.79
90 90 90
Si 0.500 0.500 0.500
Bi 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: HoBiO3.
The XRD pattern shows main peaks at: 20.8°(0.13), 29.5°(0.98), 29.8°(1.0), 42.4°(0.43), 47.5°(0.23), 52.1°(0.13), 52.7°(0.51), 61.8°(0.14), 65.1°(0.09), 69.5°(0.1), 70.0°(0.16), 80.9°(0.08), 85.6°(0.19).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-49755 | 6.06 6.06 6.06
59 59 59
Ho 0.141 0.141 0.141
Ho 0.859 0.859 0.859
Bi 0.360 0.360 0.360
Bi 0.640 0.640 0.640
O 0.008 0.783 0.456
O 0.544 0.992 0.217
O 0.217 0.544 0.992
O 0.783 0.456 0.008
O 0.456 0.008 0.783
O 0.992 0.217 0.544 |
Below is a description of a material. | The chemical formula is: ThBiAu2.
The XRD pattern shows main peaks at: 34.6°(1.0), 49.8°(0.16), 62.0°(0.38), 73.0°(0.12), 83.4°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-107993 | 5.18 5.18 5.18
60 60 60
Th 0.000 0.000 0.000
Bi 0.500 0.500 0.500
Au 0.750 0.750 0.750
Au 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: SrCN2.
The XRD pattern shows main peaks at: 17.8°(0.46), 21.7°(0.35), 26.7°(0.31), 27.9°(0.48), 28.8°(1.0), 33.8°(0.19), 35.5°(0.19), 39.7°(0.14), 40.5°(0.28), 41.0°(0.3), 46.1°(0.47), 49.7°(0.18), 51.4°(0.08), 52.6°(0.12), 55.1°(0.2), 58.2°(0.08), 62.3°(0.08), 64.0°(0.12), 70.0°(0.08), 72.4°(0... | JVASP-101367 | 3.95 5.43 12.45
90 90 90
Sr 0.250 0.392 0.631
Sr 0.750 0.608 0.369
Sr 0.750 0.892 0.869
Sr 0.250 0.108 0.131
C 0.750 0.891 0.622
C 0.250 0.391 0.878
C 0.750 0.609 0.122
C 0.250 0.109 0.378
N 0.250 0.310 0.424
N 0.250 0.190 0.924
N 0.750 0.690 0.576
N 0.750 0.810 0.076
N 0.250 0.912 0.328
N 0.750 0.088 0.672
N 0.750 0.4... |
Below is a description of a material. | The chemical formula is: Be3S2.
The XRD pattern shows main peaks at: 11.8°(0.14), 23.8°(1.0), 28.7°(0.95), 37.6°(0.69), 41.0°(0.67), 46.6°(0.16), 47.9°(0.5), 48.6°(0.1), 57.4°(0.37), 59.3°(0.21), 64.8°(0.19), 65.4°(0.16), 67.2°(0.15), 72.4°(0.18), 78.6°(0.07), 80.2°(0.09), 87.2°(0.25), 88.8°(0.07).
Generate atomic stru... | JVASP-186023 | 3.12 3.12 7.49
90 90 90
Be 0.500 0.500 0.338
Be -0.000 -0.000 0.500
Be 0.500 0.500 0.662
S -0.000 -0.000 0.764
S 0.000 0.000 0.236 |
Below is a description of a material. | The chemical formula is: FeSe.
The XRD pattern shows main peaks at: 27.0°(0.07), 32.4°(1.0), 45.2°(0.74), 47.7°(0.68), 58.8°(0.17), 61.8°(0.15), 67.8°(0.22), 75.1°(0.05), 79.0°(0.15), 81.6°(0.07), 87.1°(0.21), 88.9°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-90406 | 3.81 5.06 6.60
90 90 90
Fe 0.750 0.500 0.750
Fe 0.750 -0.000 0.750
Fe 0.250 0.500 0.250
Fe 0.250 0.000 0.250
Se 0.750 0.250 0.083
Se 0.750 0.750 0.417
Se 0.250 0.750 0.917
Se 0.250 0.250 0.583 |
Below is a description of a material. | The chemical formula is: LiCd2Pd.
The XRD pattern shows main peaks at: 23.6°(0.23), 27.3°(0.15), 39.0°(1.0), 46.1°(0.11), 56.3°(0.17), 70.6°(0.33), 83.7°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-40301 | 4.62 4.62 4.62
60 60 60
Li 0.250 0.250 0.250
Cd 0.500 0.500 0.500
Cd 0.000 0.000 0.000
Pd 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: TmInPt.
The XRD pattern shows main peaks at: 23.3°(0.1), 27.1°(0.1), 33.3°(0.68), 36.0°(1.0), 41.0°(0.44), 43.4°(0.29), 47.8°(0.21), 49.8°(0.09), 55.7°(0.08), 61.3°(0.11), 64.8°(0.23), 66.5°(0.27), 76.4°(0.1), 81.3°(0.08).
Generate atomic structure description with lattice lengths, angles, coor... | JVASP-17599 | 7.62 7.62 3.80
90 90 120
Tm 0.596 0.596 0.500
Tm 0.000 0.404 0.500
Tm 0.404 0.000 0.500
In 0.736 0.000 0.000
In 0.264 0.264 0.000
In 0.000 0.736 0.000
Pt 0.667 0.333 0.000
Pt 0.000 0.000 0.500
Pt 0.333 0.667 0.000 |
Below is a description of a material. | The chemical formula is: As2Pb.
The XRD pattern shows main peaks at: 13.1°(0.1), 26.3°(0.2), 28.4°(0.14), 31.4°(1.0), 39.1°(0.39), 39.9°(0.09), 49.7°(0.17), 50.3°(0.23), 57.6°(0.14), 60.5°(0.15), 62.2°(0.15), 65.5°(0.08), 66.0°(0.12), 73.4°(0.05), 82.4°(0.14), 84.0°(0.07).
Generate atomic structure description with lat... | JVASP-188178 | 3.63 3.63 6.78
90 90 120
Pb -0.000 -0.000 0.000
As 0.667 0.333 0.608
As 0.333 0.667 0.392 |
Below is a description of a material. | The chemical formula is: TmB2C2.
The XRD pattern shows main peaks at: 23.6°(0.96), 25.6°(0.28), 33.7°(0.42), 35.1°(1.0), 42.8°(0.58), 48.4°(0.18), 52.6°(0.1), 54.5°(0.31), 55.5°(0.23), 58.5°(0.17), 61.2°(0.28), 63.9°(0.13), 74.2°(0.1), 76.7°(0.12), 79.2°(0.21), 80.7°(0.08), 81.6°(0.1), 86.4°(0.13), 88.2°(0.07).
Generat... | JVASP-58261 | 5.32 5.32 3.48
90 90 90
Tm 0.500 0.500 0.000
Tm 0.000 0.000 0.000
B 0.137 0.637 0.500
B 0.637 0.863 0.500
B 0.863 0.363 0.500
B 0.363 0.137 0.500
C 0.838 0.662 0.500
C 0.338 0.838 0.500
C 0.662 0.162 0.500
C 0.162 0.338 0.500 |
Below is a description of a material. | The chemical formula is: MnNiGe.
The XRD pattern shows main peaks at: 34.1°(0.13), 42.9°(0.85), 44.4°(1.0), 57.1°(0.16), 63.4°(0.26), 71.8°(0.07), 80.7°(0.26), 81.8°(0.15), 88.4°(0.24).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-17965 | 4.08 4.08 5.26
90 90 119
Mn 0.000 0.000 0.500
Mn 0.000 0.000 0.000
Ni 0.333 0.667 0.750
Ni 0.667 0.333 0.250
Ge 0.667 0.333 0.750
Ge 0.333 0.667 0.250 |
Below is a description of a material. | The chemical formula is: MgBe4Pd.
The XRD pattern shows main peaks at: 24.6°(1.0), 28.4°(0.33), 40.7°(0.68), 48.1°(0.72), 50.4°(0.1), 58.9°(0.08), 64.8°(0.15), 66.6°(0.11), 74.0°(0.2), 79.3°(0.18), 88.0°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-189042 | 4.44 4.44 4.44
60 60 60
Be 0.626 0.626 0.121
Be 0.626 0.121 0.626
Be 0.626 0.626 0.626
Be 0.121 0.626 0.626
Mg 0.250 0.250 0.250
Pd -0.000 0.000 -0.000 |
Below is a description of a material. | The chemical formula is: Te2Pd3Pb2.
The XRD pattern shows main peaks at: 13.6°(0.24), 27.3°(0.19), 28.7°(1.0), 29.6°(0.32), 31.1°(0.12), 32.7°(0.09), 34.3°(0.54), 36.2°(0.34), 38.8°(0.33), 40.7°(0.61), 41.5°(0.32), 46.6°(0.27), 52.0°(0.22), 59.5°(0.33), 61.4°(0.13), 68.8°(0.13), 72.3°(0.11), 76.8°(0.09), 80.5°(0.11), 8... | JVASP-85374 | 6.04 6.53 8.71
90 90 90
Te 0.250 0.672 0.541
Te 0.750 0.328 0.041
Te 0.250 0.672 0.959
Te 0.750 0.328 0.459
Pd 0.000 0.000 0.500
Pd 0.750 0.204 0.750
Pd 0.000 0.000 0.000
Pd 0.500 0.000 0.500
Pd 0.500 0.000 0.000
Pd 0.250 0.796 0.250
Pb 0.250 0.251 0.250
Pb 0.750 0.749 0.750
Pb 0.250 0.201 0.750
Pb 0.750 0.799 0.250 |
Below is a description of a material. | The chemical formula is: BiCl3.
The XRD pattern shows main peaks at: 18.4°(1.0), 20.1°(0.47), 21.0°(0.35), 25.8°(0.24), 27.4°(0.47), 28.3°(0.18), 31.3°(0.27), 35.0°(0.3), 35.7°(0.25), 38.7°(0.38), 40.1°(0.47), 40.8°(0.13), 45.1°(0.17), 48.8°(0.13), 49.6°(0.3), 50.0°(0.22), 50.4°(0.09), 58.2°(0.16), 62.2°(0.1), 66.1°(0.... | JVASP-173190 | 6.30 7.50 8.84
90 90 90
Bi 0.514 0.578 0.751
Bi 0.486 0.422 0.251
Bi -0.014 0.078 0.751
Bi 0.014 0.922 0.251
Cl 0.645 0.324 0.938
Cl 0.355 0.676 0.438
Cl 0.855 0.824 0.938
Cl 0.145 0.176 0.438
Cl 0.632 0.042 0.250
Cl 0.368 0.958 0.750
Cl 0.868 0.542 0.250
Cl 0.132 0.458 0.750
Cl 0.145 0.176 0.062
Cl 0.855 0.824 0.562
C... |
Below is a description of a material. | The chemical formula is: ThTi3.
The XRD pattern shows main peaks at: 22.5°(0.54), 26.1°(0.26), 37.2°(1.0), 43.9°(0.31), 46.0°(0.08), 53.6°(0.17), 67.0°(0.33), 79.2°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-111303 | 4.84 4.84 4.84
60 60 60
Th 0.000 0.000 0.000
Ti 0.250 0.250 0.250
Ti 0.750 0.750 0.750
Ti 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Li3Co3NiO8.
The XRD pattern shows main peaks at: 19.0°(1.0), 37.2°(0.37), 38.9°(0.12), 45.1°(0.5), 49.3°(0.09), 59.6°(0.11), 65.3°(0.12), 66.0°(0.18), 69.4°(0.11), 83.5°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-146625 | 5.66 5.66 5.70
60 90 120
Li 0.000 0.500 0.500
Li 0.500 -0.000 0.500
Li 0.500 0.500 0.500
Co 0.000 0.500 -0.000
Co 0.500 0.000 0.000
Co 0.500 0.500 -0.000
Ni 0.000 0.000 0.000
O 0.267 0.025 0.212
O 0.265 0.529 0.213
O 0.759 0.025 0.212
O 0.759 0.519 0.219
O 0.241 0.481 0.781
O 0.241 0.975 0.788
O 0.735 0.471 0.787
O 0.7... |
Below is a description of a material. | The chemical formula is: YAlS.
The XRD pattern shows main peaks at: 20.4°(0.6), 25.1°(0.83), 32.6°(0.42), 35.8°(1.0), 41.6°(0.11), 44.3°(0.95), 49.2°(0.13), 51.6°(0.11), 64.4°(0.48), 70.2°(0.25), 75.9°(0.1), 81.4°(0.17), 86.9°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and at... | JVASP-139501 | 5.02 5.02 3.54
90 90 120
Y 0.667 0.333 0.000
Al 0.000 0.000 0.000
S 0.333 0.667 0.000 |
Below is a description of a material. | The chemical formula is: Sc3I.
The XRD pattern shows main peaks at: 18.3°(0.76), 27.3°(0.31), 31.9°(0.26), 33.1°(1.0), 37.0°(0.97), 38.1°(0.72), 50.5°(0.23), 52.9°(0.19), 61.0°(0.16), 66.7°(0.11), 72.4°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-185199 | 5.73 3.54 8.13
136 61 101
Sc 0.053 0.863 0.047
Sc 0.490 0.737 0.486
Sc 0.615 0.177 0.924
I 0.052 0.067 0.485 |
Below is a description of a material. | The chemical formula is: Ce2Zn17.
The XRD pattern shows main peaks at: 28.2°(0.23), 33.1°(0.1), 34.3°(0.35), 35.5°(0.23), 40.1°(1.0), 40.8°(0.46), 45.0°(0.35), 58.3°(0.14), 65.4°(0.15), 72.4°(0.17), 73.8°(0.16), 85.9°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-155091 | 6.85 6.85 6.85
82 82 82
Ce 0.664 0.664 0.664
Ce 0.336 0.336 0.336
Zn 0.647 0.161 0.647
Zn 0.161 0.647 0.647
Zn 0.647 0.647 0.161
Zn 0.839 0.353 0.353
Zn 0.353 0.839 0.353
Zn 0.353 0.353 0.839
Zn 0.706 0.294 -0.000
Zn -0.000 0.706 0.294
Zn 0.294 -0.000 0.706
Zn 0.294 0.706 -0.000
Zn -0.000 0.294 0.706
Zn 0.706 -0.000 0.... |
Below is a description of a material. | The chemical formula is: SmTiClO3.
The XRD pattern shows main peaks at: 18.4°(0.22), 18.9°(0.54), 22.2°(0.12), 23.3°(0.19), 25.1°(1.0), 27.7°(0.21), 30.1°(0.22), 32.4°(0.13), 35.0°(0.26), 35.6°(0.49), 36.6°(0.24), 37.4°(0.16), 38.2°(0.12), 42.1°(0.13), 42.5°(0.14), 45.1°(0.12), 45.8°(0.21), 47.4°(0.09), 60.0°(0.1), 62.... | JVASP-111166 | 5.29 5.29 10.09
74 74 43
Sm 0.219 0.219 0.797
Sm 0.781 0.781 0.203
Ti 0.620 0.620 0.567
Ti 0.380 0.380 0.433
Cl 0.888 0.888 0.903
Cl 0.112 0.112 0.097
O 0.167 0.167 0.562
O 0.646 0.646 0.744
O 0.833 0.833 0.438
O 0.422 0.422 0.622
O 0.354 0.354 0.256
O 0.578 0.578 0.378 |
Below is a description of a material. | The chemical formula is: RbMgH.
The XRD pattern shows main peaks at: 11.1°(0.76), 22.4°(0.51), 24.0°(1.0), 26.5°(0.45), 33.0°(0.76), 34.2°(0.38), 36.0°(0.18), 41.2°(0.41), 41.9°(0.18), 49.1°(0.14), 52.2°(0.18), 54.6°(0.18), 55.4°(0.18), 56.7°(0.1), 58.2°(0.12), 60.5°(0.24), 66.5°(0.09), 69.2°(0.08), 74.5°(0.12), 86.5°(... | JVASP-139040 | 3.71 3.71 7.95
90 90 90
Rb 0.000 0.000 -0.062
Mg 0.000 0.000 0.483
H 0.000 0.000 0.256 |
Below is a description of a material. | The chemical formula is: Sr2CaMoO6.
The XRD pattern shows main peaks at: 18.5°(0.12), 30.5°(1.0), 37.6°(0.08), 43.7°(0.38), 54.2°(0.36), 63.5°(0.22), 72.1°(0.18), 80.3°(0.07), 88.3°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-11727 | 5.86 5.86 5.86
60 60 60
Sr 0.250 0.250 0.250
Sr 0.750 0.750 0.750
Ca 0.500 0.500 0.500
Mo 0.000 0.000 0.000
O 0.232 0.768 0.768
O 0.232 0.768 0.232
O 0.768 0.232 0.768
O 0.232 0.232 0.768
O 0.768 0.232 0.232
O 0.768 0.768 0.232 |
Below is a description of a material. | The chemical formula is: Ba4BiPb3O12.
The XRD pattern shows main peaks at: 20.4°(0.09), 29.0°(1.0), 41.5°(0.19), 51.4°(0.28), 60.1°(0.06), 68.1°(0.12), 83.0°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-112705 | 4.35 4.35 17.44
90 90 90
Ba 0.500 0.500 0.870
Ba 0.500 0.500 0.623
Ba 0.500 0.500 0.377
Ba 0.500 0.500 0.130
Bi 0.000 0.000 0.000
Pb 0.000 0.000 0.749
Pb 0.000 0.000 0.500
Pb 0.000 0.000 0.251
O 0.000 0.000 0.625
O 0.000 0.000 0.876
O 0.500 0.000 0.000
O 0.500 0.000 0.246
O 0.500 0.000 0.500
O 0.000 0.500 0.500
O 0.000... |
Below is a description of a material. | The chemical formula is: Zr2InNi2.
The XRD pattern shows main peaks at: 27.7°(0.05), 32.0°(0.15), 35.3°(0.17), 36.7°(0.5), 38.8°(1.0), 39.6°(0.67), 45.4°(0.06), 48.4°(0.08), 52.4°(0.08), 54.9°(0.15), 57.2°(0.07), 59.7°(0.1), 61.3°(0.12), 69.8°(0.22), 72.7°(0.15), 74.6°(0.05), 76.8°(0.12), 83.3°(0.05).
Generate atomic s... | JVASP-23344 | 7.20 7.20 3.35
90 90 90
Zr 0.169 0.669 0.500
Zr 0.669 0.831 0.500
Zr 0.331 0.169 0.500
Zr 0.831 0.331 0.500
In 0.000 0.000 0.000
In 0.500 0.500 0.000
Ni 0.125 0.375 0.000
Ni 0.375 0.875 0.000
Ni 0.625 0.125 0.000
Ni 0.875 0.625 0.000 |
Below is a description of a material. | The chemical formula is: Yb2SnPb.
The XRD pattern shows main peaks at: 33.2°(1.0), 47.6°(0.2), 59.2°(0.37), 69.6°(0.13), 79.3°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-157074 | 5.40 5.40 5.40
60 60 60
Yb 0.500 0.500 0.500
Yb 0.000 0.000 0.000
Sn 0.750 0.750 0.750
Pb 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: BaCuGe.
The XRD pattern shows main peaks at: 24.0°(0.07), 30.1°(1.0), 36.2°(0.18), 42.2°(0.34), 52.6°(0.19), 56.8°(0.3), 61.4°(0.13), 69.6°(0.17), 77.3°(0.07), 88.3°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-106134 | 4.29 4.29 4.96
90 90 120
Ba 0.333 0.667 0.000
Cu 0.667 0.333 0.500
Ge 0.000 0.000 0.500 |
Below is a description of a material. | The chemical formula is: BeMo2Br.
The XRD pattern shows main peaks at: 14.1°(0.28), 28.0°(0.11), 31.5°(0.43), 40.3°(1.0), 42.7°(0.06), 43.2°(0.09), 49.8°(0.05), 57.9°(0.2), 58.8°(0.06), 60.4°(0.12), 67.4°(0.08), 72.9°(0.32), 73.5°(0.11), 74.9°(0.06), 82.6°(0.07), 86.4°(0.06), 87.2°(0.08).
Generate atomic structure desc... | JVASP-73920 | 3.18 3.18 6.28
90 90 90
Be 0.000 0.000 0.429
Mo 0.000 0.000 0.047
Mo 0.500 0.500 0.288
Br 0.500 0.500 0.736 |
Below is a description of a material. | The chemical formula is: NaNd3.
The XRD pattern shows main peaks at: 7.2°(0.93), 14.5°(0.17), 29.5°(1.0), 32.2°(0.95), 36.2°(0.63), 47.2°(0.23), 50.6°(0.28), 59.5°(0.42), 61.2°(0.16), 63.8°(0.11), 81.9°(0.11), 83.3°(0.13), 85.6°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and a... | JVASP-127993 | 3.61 3.61 12.22
90 90 120
Na 0.000 0.000 0.000
Nd 0.000 0.000 0.500
Nd 0.333 0.667 0.260
Nd 0.667 0.333 0.740 |
Below is a description of a material. | The chemical formula is: SrFe2As2.
The XRD pattern shows main peaks at: 15.2°(0.16), 32.3°(1.0), 35.6°(0.39), 44.9°(0.2), 45.9°(0.45), 57.2°(0.36), 57.7°(0.31), 66.9°(0.12), 76.3°(0.08), 82.1°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-15396 | 3.95 3.95 6.47
107 107 90
Sr 0.000 0.000 0.000
Fe 0.750 0.250 0.500
Fe 0.250 0.750 0.500
As 0.646 0.646 0.292
As 0.354 0.354 0.708 |
Below is a description of a material. | The chemical formula is: VO2.
The XRD pattern shows main peaks at: 18.2°(1.0), 36.3°(0.07), 37.9°(0.42), 47.7°(0.35), 57.4°(0.11), 62.9°(0.07), 64.2°(0.12), 67.4°(0.12), 75.2°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-8269 | 5.15 5.15 5.15
32 32 32
V 0.000 0.000 0.000
O 0.599 0.599 0.599
O 0.401 0.401 0.401 |
Below is a description of a material. | The chemical formula is: KRb2InF6.
The XRD pattern shows main peaks at: 16.9°(0.23), 27.7°(1.0), 32.7°(0.08), 39.6°(0.43), 49.2°(0.34), 57.3°(0.16), 64.7°(0.07), 79.1°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-170154 | 6.40 6.49 9.09
90 90 90
K 0.000 -0.000 0.500
K 0.500 0.500 -0.000
Rb 0.008 0.461 0.250
Rb 0.992 0.539 0.750
Rb 0.492 0.961 0.250
Rb 0.508 0.039 0.750
In 0.000 -0.000 -0.000
In 0.500 0.500 0.500
F 0.265 0.185 0.037
F 0.735 0.815 0.963
F 0.235 0.685 0.463
F 0.765 0.315 0.537
F 0.925 0.023 0.225
F 0.075 0.977 0.775
F 0.57... |
Below is a description of a material. | The chemical formula is: KThTi2O6.
The XRD pattern shows main peaks at: 11.3°(0.74), 22.6°(0.18), 25.3°(0.44), 32.2°(1.0), 34.1°(0.16), 39.7°(0.27), 41.5°(0.1), 46.0°(0.25), 47.6°(0.17), 51.9°(0.08), 53.2°(0.12), 57.3°(0.33), 63.7°(0.07), 67.4°(0.14), 76.4°(0.12), 80.9°(0.06), 85.5°(0.07).
Generate atomic structure des... | JVASP-101438 | 3.94 3.94 7.84
90 90 90
K 0.500 0.500 0.000
Th 0.500 0.500 0.500
Ti 0.000 0.000 0.245
Ti 0.000 0.000 0.755
O 0.000 0.000 0.500
O 0.000 0.500 0.285
O 0.000 0.500 0.715
O 0.500 0.000 0.285
O 0.500 0.000 0.715
O 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: LiHoGe.
The XRD pattern shows main peaks at: 14.6°(0.25), 21.1°(0.37), 25.5°(0.35), 29.5°(0.4), 33.3°(0.74), 36.5°(1.0), 39.3°(0.18), 42.9°(0.21), 45.0°(0.27), 50.5°(0.12), 52.3°(0.1), 52.9°(0.16), 54.6°(0.25), 59.2°(0.3), 59.6°(0.11), 63.8°(0.06), 71.4°(0.13), 71.8°(0.22), 74.4°(0.11), 82.9°(0... | JVASP-17330 | 7.00 7.00 4.22
90 90 120
Li 0.233 0.000 0.500
Li 0.000 0.233 0.500
Li 0.767 0.767 0.500
Ho 0.423 0.423 0.000
Ho 0.577 -0.000 0.000
Ho -0.000 0.577 0.000
Ge 0.667 0.333 0.500
Ge 0.333 0.667 0.500
Ge 0.000 0.000 0.000 |
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