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: Sr2Fe2S2OF2.
The XRD pattern shows main peaks at: 9.8°(0.1), 19.7°(0.05), 26.7°(0.7), 29.7°(0.29), 31.6°(0.12), 33.4°(0.68), 37.5°(1.0), 41.6°(0.14), 45.3°(0.7), 50.9°(0.22), 51.8°(0.34), 53.4°(0.06), 55.1°(0.21), 57.4°(0.06), 66.0°(0.21), 79.7°(0.11).
Generate atomic structure description with... | JVASP-57242 | 4.00 4.00 9.46
102 102 89
Sr 0.331 0.331 0.661
Sr 0.669 0.669 0.339
Fe 0.000 0.500 1.000
Fe 0.500 0.000 1.000
S 0.093 0.093 0.186
S 0.907 0.907 0.814
O 0.500 0.500 -0.000
F 0.750 0.250 0.500
F 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: BeW2Se.
The XRD pattern shows main peaks at: 15.4°(0.43), 32.2°(0.62), 40.2°(0.59), 42.3°(1.0), 43.2°(0.14), 47.3°(0.08), 58.1°(0.22), 60.5°(0.06), 63.7°(0.15), 64.6°(0.06), 68.0°(0.15), 74.5°(0.38), 78.0°(0.08), 78.9°(0.14), 86.7°(0.07).
Generate atomic structure description with lattice lengt... | JVASP-70734 | 3.18 3.18 5.77
90 90 90
Be 0.000 0.000 0.459
W 0.000 0.000 0.011
W 0.500 0.500 0.287
Se 0.500 0.500 0.743 |
Below is a description of a material. | The chemical formula is: LiPd.
The XRD pattern shows main peaks at: 21.6°(0.81), 37.1°(0.63), 43.4°(1.0), 44.1°(0.16), 59.0°(0.36), 67.0°(0.13), 71.3°(0.19), 79.1°(0.07), 80.7°(0.15), 83.2°(0.13), 83.7°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-15040 | 2.79 2.79 4.11
90 90 119
Li 0.000 0.000 0.000
Pd 0.333 0.667 0.500 |
Below is a description of a material. | The chemical formula is: PrGaPd.
The XRD pattern shows main peaks at: 22.6°(0.05), 25.8°(0.06), 32.7°(0.51), 33.7°(1.0), 36.9°(0.11), 39.1°(0.24), 39.4°(0.39), 40.0°(0.54), 51.8°(0.05), 52.9°(0.2), 55.1°(0.08), 55.9°(0.05), 56.8°(0.15), 61.0°(0.08), 64.9°(0.22), 67.3°(0.06), 67.9°(0.12), 71.9°(0.09), 72.7°(0.1), 75.1°(... | JVASP-142699 | 4.57 7.23 7.77
90 90 90
Pr 0.250 0.019 0.699
Pr 0.250 0.519 0.801
Pr 0.750 0.981 0.301
Pr 0.750 0.481 0.199
Ga 0.250 0.177 0.079
Ga 0.250 0.677 0.421
Ga 0.750 0.823 0.921
Ga 0.750 0.323 0.579
Pd 0.250 0.291 0.407
Pd 0.250 0.791 0.093
Pd 0.750 0.709 0.593
Pd 0.750 0.209 0.907 |
Below is a description of a material. | The chemical formula is: CeP.
The XRD pattern shows main peaks at: 26.7°(0.78), 31.0°(1.0), 44.4°(0.71), 52.5°(0.36), 55.1°(0.26), 64.5°(0.12), 73.3°(0.35).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-20413 | 4.08 4.08 4.08
60 59 60
Ce 0.000 0.000 0.000
P 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Er2SiRh3.
The XRD pattern shows main peaks at: 20.0°(0.16), 24.1°(0.12), 32.3°(0.39), 36.2°(0.72), 38.3°(1.0), 40.0°(0.99), 40.7°(0.33), 43.4°(0.3), 47.1°(0.12), 60.2°(0.32), 62.8°(0.27), 65.3°(0.18), 67.5°(0.3), 68.9°(0.21), 76.9°(0.22), 79.1°(0.15), 80.4°(0.12), 86.4°(0.12).
Generate atomic s... | JVASP-93840 | 5.02 5.02 5.02
67 67 67
Er 0.630 0.630 0.630
Er 0.370 0.370 0.370
Si 0.000 0.000 0.000
Rh 0.000 0.000 0.500
Rh 0.000 0.500 0.000
Rh 0.500 0.000 0.000 |
Below is a description of a material. | The chemical formula is: TbGa5Fe.
The XRD pattern shows main peaks at: 21.0°(0.21), 32.7°(0.58), 33.6°(0.14), 39.3°(0.21), 40.0°(1.0), 42.8°(0.56), 55.5°(0.06), 59.5°(0.25), 62.2°(0.23), 70.6°(0.06), 72.0°(0.11), 76.1°(0.19), 76.5°(0.28).
Generate atomic structure description with lattice lengths, angles, coordinates a... | JVASP-162923 | 4.22 4.22 6.88
90 90 90
Fe -0.000 -0.000 0.500
Ga 0.500 0.500 0.000
Ga 0.500 0.000 0.313
Ga 0.000 0.500 0.313
Ga 0.500 -0.000 0.687
Ga -0.000 0.500 0.687
Tb -0.000 -0.000 0.000 |
Below is a description of a material. | The chemical formula is: ZnCu2NiSe4.
The XRD pattern shows main peaks at: 28.0°(1.0), 46.6°(0.75), 55.3°(0.41), 68.0°(0.1), 75.1°(0.13), 86.5°(0.2).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-155474 | 5.51 5.51 6.75
114 114 90
Zn 0.000 0.000 0.000
Cu 0.750 0.250 0.500
Cu 0.250 0.750 0.500
Ni 0.500 0.500 0.000
Se 0.862 0.388 0.250
Se 0.388 0.862 0.250
Se 0.138 0.138 0.750
Se 0.612 0.612 0.750 |
Below is a description of a material. | The chemical formula is: BeInGe.
The XRD pattern shows main peaks at: 26.0°(0.31), 33.7°(1.0), 42.8°(0.12), 45.9°(0.29), 50.8°(0.09), 58.1°(0.19), 64.5°(0.18), 72.5°(0.1), 77.1°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-70512 | 3.95 3.95 4.23
90 90 120
Be 0.000 0.000 0.167
In 0.333 0.667 0.667
Ge 0.667 0.333 0.167 |
Below is a description of a material. | The chemical formula is: Yb3Nd.
The XRD pattern shows main peaks at: 30.5°(1.0), 43.7°(0.19), 54.3°(0.45), 63.6°(0.14), 72.2°(0.19), 88.4°(0.22).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-108003 | 5.85 5.85 5.85
60 60 60
Yb 0.250 0.250 0.250
Yb 0.750 0.750 0.750
Yb 0.500 0.500 0.500
Nd 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Sr3Si2As4.
The XRD pattern shows main peaks at: 28.6°(1.0), 29.7°(0.05), 39.4°(0.25), 42.4°(0.28), 46.5°(0.08), 52.2°(0.13), 64.8°(0.07), 69.0°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-173516 | 7.40 8.19 9.64
108 104 107
Sr 0.691 0.941 0.882
Sr 0.309 0.059 0.118
Sr 0.816 0.566 0.131
Sr 0.184 0.434 0.869
Sr 0.064 0.814 0.628
Sr 0.936 0.186 0.372
Si 0.629 0.473 0.643
Si 0.514 0.170 0.643
Si 0.371 0.527 0.357
Si 0.486 0.830 0.357
As 0.665 0.443 0.393
As 0.228 0.950 0.393
As 0.440 0.189 0.870
As 0.930 0.681 0.870... |
Below is a description of a material. | The chemical formula is: ZrBeCd.
The XRD pattern shows main peaks at: 12.5°(0.35), 25.2°(0.33), 34.7°(0.19), 37.0°(1.0), 38.1°(0.16), 43.3°(0.42), 52.5°(0.18), 62.2°(0.15), 63.7°(0.21), 68.2°(0.11), 74.6°(0.12), 75.3°(0.13), 78.8°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates an... | JVASP-65040 | 2.99 2.99 7.08
90 90 120
Zr 0.333 0.667 0.690
Be 0.000 0.000 0.006
Cd 0.667 0.333 0.304 |
Below is a description of a material. | The chemical formula is: TmS.
The XRD pattern shows main peaks at: 28.5°(0.92), 33.1°(1.0), 47.4°(0.72), 56.3°(0.46), 59.0°(0.25), 69.4°(0.11), 79.0°(0.36), 88.3°(0.25).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-19966 | 3.83 3.83 3.83
59 60 60
Tm 0.500 0.500 0.500
S 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Nb5Te4.
The XRD pattern shows main peaks at: 12.0°(0.18), 24.2°(0.2), 27.1°(0.07), 30.6°(0.65), 35.2°(1.0), 36.7°(0.22), 38.7°(0.59), 39.4°(0.17), 43.2°(0.59), 44.4°(0.06), 48.5°(0.24), 51.2°(0.12), 55.9°(0.11), 63.2°(0.12), 63.7°(0.28), 70.6°(0.25), 75.8°(0.1), 81.8°(0.09).
Generate atomic str... | JVASP-18752 | 3.75 7.59 7.59
86 75 75
Nb 0.000 0.000 0.000
Nb 0.316 0.066 0.302
Nb 0.618 0.698 0.066
Nb 0.382 0.302 0.934
Nb 0.684 0.934 0.698
Te 0.061 0.226 0.652
Te 0.713 0.348 0.226
Te 0.287 0.652 0.774
Te 0.939 0.774 0.348 |
Below is a description of a material. | The chemical formula is: Li3VO2F2.
The XRD pattern shows main peaks at: 18.6°(1.0), 21.2°(0.25), 30.8°(0.15), 31.4°(0.15), 35.6°(0.16), 36.7°(0.27), 43.1°(0.38), 44.5°(0.72), 48.2°(0.15), 49.8°(0.08), 53.9°(0.06), 58.7°(0.08), 63.7°(0.4), 65.5°(0.09), 80.4°(0.09), 81.7°(0.09).
Generate atomic structure description with... | JVASP-47076 | 2.85 5.84 5.84
59 119 119
Li 1.000 0.501 0.001
Li -0.000 0.501 0.501
Li 1.000 0.001 0.501
V 1.000 0.001 0.001
O 0.500 0.762 0.239
O 0.500 0.239 0.762
F 0.494 0.248 0.248
F 0.506 0.754 0.754 |
Below is a description of a material. | The chemical formula is: SbTeO.
The XRD pattern shows main peaks at: 12.9°(0.2), 26.0°(0.83), 27.7°(0.55), 28.6°(1.0), 33.4°(0.98), 39.0°(0.52), 39.5°(0.14), 40.3°(0.38), 44.6°(0.85), 49.5°(0.15), 54.5°(0.29), 55.5°(0.15), 59.2°(0.12), 62.7°(0.37), 63.6°(0.18), 65.8°(0.11), 66.6°(0.1), 69.8°(0.25), 75.8°(0.09), 84.7°(0... | JVASP-113730 | 3.31 7.05 3.12
90 90 103
Sb -0.041 0.251 0.000
Te 0.670 0.673 0.000
O 0.371 0.075 0.000 |
Below is a description of a material. | The chemical formula is: Cu3Sb4O6F6.
The XRD pattern shows main peaks at: 26.8°(1.0), 31.1°(0.19), 34.9°(0.45), 38.3°(0.13), 47.4°(0.2), 50.1°(0.24), 69.3°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-142478 | 7.05 7.05 7.05
109 109 109
Cu 0.500 0.500 0.000
Cu 0.500 0.000 0.500
Cu 0.000 0.500 0.500
Sb 0.670 0.670 0.670
Sb 0.330 0.000 0.000
Sb 0.000 0.330 0.000
Sb 0.000 0.000 0.330
O -0.000 0.746 0.746
O 0.746 -0.000 0.746
O 0.254 0.254 0.000
O 0.000 0.254 0.254
O 0.254 0.000 0.254
O 0.746 0.746 -0.000
F 0.500 0.250 0.750
F 0... |
Below is a description of a material. | The chemical formula is: ZrN.
The XRD pattern shows main peaks at: 27.2°(0.59), 33.6°(1.0), 39.1°(0.28), 48.1°(0.49), 56.1°(0.07), 59.9°(0.21), 63.6°(0.34), 67.3°(0.14), 70.5°(0.06), 80.3°(0.17), 86.9°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-13861 | 3.78 3.78 4.61
90 90 120
Zr 0.333 0.667 0.438
Zr 0.667 0.333 0.938
N 0.333 0.667 0.938
N 0.667 0.333 0.438 |
Below is a description of a material. | The chemical formula is: NaClO2.
The XRD pattern shows main peaks at: 21.6°(0.17), 28.8°(0.4), 29.6°(0.56), 30.2°(1.0), 31.8°(0.09), 41.6°(0.39), 44.0°(0.74), 44.6°(0.17), 52.7°(0.15), 55.7°(0.09), 59.7°(0.09), 63.4°(0.08), 65.2°(0.09), 66.5°(0.08), 68.2°(0.07), 70.8°(0.13), 72.7°(0.09), 74.4°(0.05).
Generate atomic st... | JVASP-53125 | 4.41 4.56 6.61
107 110 84
Na 0.066 0.947 0.006
Na 0.566 0.447 0.506
Cl 0.513 0.420 -0.034
Cl 0.013 0.920 0.466
O 0.822 0.436 0.898
O 0.592 0.206 0.128
O 0.092 0.706 0.628
O 0.322 0.936 0.398 |
Below is a description of a material. | The chemical formula is: GaTc2W.
The XRD pattern shows main peaks at: 24.9°(0.14), 41.2°(1.0), 48.8°(0.07), 59.7°(0.17), 75.2°(0.31), 89.5°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-193652 | 4.38 4.38 4.38
60 60 60
Ga -0.000 0.000 -0.000
Tc 0.250 0.250 0.250
Tc 0.750 0.750 0.750
W 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Be2TcCl.
The XRD pattern shows main peaks at: 15.8°(0.63), 29.0°(1.0), 32.0°(0.43), 33.2°(0.3), 41.5°(0.53), 43.8°(0.79), 44.7°(0.21), 53.4°(0.36), 57.8°(0.11), 60.2°(0.16), 62.7°(0.07), 68.2°(0.16), 69.8°(0.16), 70.5°(0.08), 74.6°(0.14), 77.3°(0.31), 81.9°(0.11), 88.3°(0.07).
Generate atomic s... | JVASP-71459 | 3.08 3.08 5.59
90 90 90
Be 0.000 0.000 0.680
Be 0.000 0.000 0.320
Tc 0.500 0.500 0.500
Cl 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: ZnPt.
The XRD pattern shows main peaks at: 21.5°(0.23), 35.7°(0.39), 42.1°(1.0), 43.9°(0.18), 57.8°(0.2), 64.2°(0.17), 68.5°(0.06), 79.4°(0.16), 79.8°(0.14), 81.0°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-126768 | 2.90 2.90 4.13
90 90 120
Zn 0.333 0.667 0.250
Pt 0.667 0.333 0.750 |
Below is a description of a material. | The chemical formula is: YMn2O4.
The XRD pattern shows main peaks at: 28.7°(0.27), 31.7°(0.33), 36.5°(1.0), 49.3°(0.18), 54.3°(0.11), 56.1°(0.15), 59.5°(0.23), 65.6°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-9656 | 5.69 5.69 6.33
116 116 89
Y 0.875 0.125 0.750
Y 0.125 0.875 0.250
Mn 0.500 0.000 0.000
Mn 0.500 0.500 0.000
Mn -0.000 0.500 0.500
Mn 0.500 0.500 0.500
O 0.721 0.523 0.851
O 0.130 0.828 0.851
O 0.279 0.477 0.149
O 0.870 0.172 0.149
O 0.523 0.130 0.351
O 0.828 0.721 0.351
O 0.172 0.279 0.649
O 0.477 0.870 0.649 |
Below is a description of a material. | The chemical formula is: Li2AlVO4.
The XRD pattern shows main peaks at: 21.3°(0.82), 22.9°(0.89), 28.1°(0.26), 32.4°(1.0), 35.5°(0.15), 36.9°(0.62), 37.4°(0.49), 43.0°(0.09), 46.5°(0.06), 49.9°(0.32), 57.9°(0.44), 66.8°(0.39), 70.6°(0.31).
Generate atomic structure description with lattice lengths, angles, coordinates ... | JVASP-142071 | 4.88 6.39 5.51
89 89 89
Li 0.494 0.001 0.827
Li 0.994 0.501 0.173
Li 0.493 0.254 0.337
Li 0.993 0.754 0.663
Al 0.001 0.253 0.666
Al 0.501 0.753 0.334
V 0.491 0.508 0.838
V 0.991 0.008 0.162
O 0.899 0.023 0.827
O 0.399 0.523 0.173
O 0.899 0.246 0.356
O 0.399 0.746 0.644
O 0.368 0.261 0.678
O 0.868 0.761 0.322
O 0.889 0.... |
Below is a description of a material. | The chemical formula is: AcZn2Ge2.
The XRD pattern shows main peaks at: 15.3°(0.07), 22.0°(0.23), 29.2°(0.26), 31.1°(0.94), 33.2°(1.0), 41.8°(0.53), 44.5°(0.38), 47.7°(0.07), 53.0°(0.48), 56.5°(0.19), 60.6°(0.18), 62.7°(0.28), 64.6°(0.06), 68.7°(0.05), 69.7°(0.12), 70.9°(0.21), 78.2°(0.08), 79.9°(0.15), 84.7°(0.11), 87... | JVASP-155587 | 6.53 6.53 6.53
141 141 55
Ac 0.000 0.000 0.000
Zn 0.750 0.250 0.500
Zn 0.250 0.750 0.500
Ge 0.379 0.379 0.000
Ge 0.621 0.621 0.000 |
Below is a description of a material. | The chemical formula is: Na2BiAu.
The XRD pattern shows main peaks at: 14.9°(0.29), 18.8°(1.0), 21.1°(0.68), 30.7°(0.09), 33.7°(0.71), 34.2°(0.36), 36.7°(0.47), 38.3°(0.37), 43.0°(0.41), 43.4°(0.26), 45.9°(0.2), 54.2°(0.1), 55.1°(0.22), 56.0°(0.1), 59.1°(0.13), 61.0°(0.15), 70.1°(0.15), 72.2°(0.11), 74.5°(0.13), 80.7°(... | JVASP-63821 | 6.07 6.07 5.97
90 90 102
Na 0.863 0.504 0.750
Na 0.137 0.496 0.250
Na 0.504 0.863 0.750
Na 0.496 0.137 0.250
Bi 0.314 0.314 0.750
Bi 0.686 0.686 0.250
Au 0.000 0.000 0.000
Au 0.000 0.000 0.500 |
Below is a description of a material. | The chemical formula is: TaMo.
The XRD pattern shows main peaks at: 27.6°(0.1), 39.5°(1.0), 57.1°(0.17), 71.6°(0.34), 85.0°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-127515 | 3.23 3.23 3.23
90 90 90
Ta 0.000 0.000 0.000
Mo 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: YPdC.
The XRD pattern shows main peaks at: 32.7°(0.51), 35.1°(1.0), 47.0°(0.22), 53.8°(0.07), 60.0°(0.38), 64.4°(0.14), 68.6°(0.07), 74.2°(0.11), 78.1°(0.09), 79.5°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-186108 | 3.87 3.87 6.81
90 90 90
Y 0.000 0.000 0.750
Y 0.000 0.000 0.250
Pd 0.500 0.500 -0.000
Pd 0.500 0.500 0.500
C 0.500 0.000 0.500
C -0.000 0.500 -0.000 |
Below is a description of a material. | The chemical formula is: Dy2In3Sn3.
The XRD pattern shows main peaks at: 33.2°(1.0), 37.6°(0.18), 38.4°(0.17), 39.5°(0.15), 54.8°(0.11), 55.7°(0.11), 56.3°(0.11), 65.1°(0.14), 66.2°(0.13), 69.7°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-106088 | 4.69 4.78 9.12
90 90 90
Dy 0.000 0.000 0.247
Dy 0.000 0.000 0.753
In 0.500 0.500 0.253
In 0.500 0.500 0.747
In 0.000 0.500 0.500
Sn 0.000 0.500 0.000
Sn 0.500 0.000 0.500
Sn 0.500 0.000 0.000 |
Below is a description of a material. | The chemical formula is: ZnPt3.
The XRD pattern shows main peaks at: 22.6°(0.11), 32.1°(0.09), 39.6°(1.0), 46.1°(0.53), 51.9°(0.05), 67.2°(0.32), 81.0°(0.41), 85.4°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-128126 | 3.94 3.94 3.94
90 90 90
Zn 0.000 0.000 0.000
Pt 0.000 0.500 0.500
Pt 0.500 0.000 0.500
Pt 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: Be2S.
The XRD pattern shows main peaks at: 20.9°(1.0), 27.3°(0.61), 27.5°(0.62), 32.1°(0.53), 32.8°(0.49), 36.7°(0.24), 38.5°(0.11), 39.7°(0.14), 41.7°(0.09), 43.8°(0.16), 44.6°(0.17), 47.7°(0.12), 48.7°(0.23), 53.7°(0.13), 54.3°(0.09), 54.8°(0.09), 57.4°(0.1), 58.1°(0.1), 58.6°(0.09), 59.4°(0.... | JVASP-117703 | 3.31 4.61 4.31
79 82 45
Be 0.440 0.347 0.337
Be 0.467 0.008 0.761
S 0.040 0.886 0.048 |
Below is a description of a material. | The chemical formula is: Sr2LiNb3O10.
The XRD pattern shows main peaks at: 6.4°(0.75), 12.8°(0.17), 19.3°(0.1), 22.6°(0.11), 24.4°(0.15), 27.6°(0.77), 31.9°(1.0), 45.6°(0.44), 54.2°(0.23), 56.8°(0.27), 66.5°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-163753 | 14.09 14.09 14.09
163 163 23
Sr 0.419 0.419 -0.000
Sr 0.581 0.581 0.000
Li 0.253 0.747 0.500
Nb 0.001 0.999 -0.000
Nb 0.161 0.156 -0.000
Nb 0.844 0.839 0.000
O 0.077 0.066 -0.000
O 0.646 0.140 0.500
O 0.227 0.221 -0.000
O 0.860 0.354 0.500
O 0.779 0.773 0.000
O 0.934 0.923 0.000
O 0.508 0.979 0.487
O 0.147 0.642 0.500
... |
Below is a description of a material. | The chemical formula is: LaNi2Rh3.
The XRD pattern shows main peaks at: 29.5°(0.5), 34.0°(0.14), 39.4°(0.6), 40.8°(1.0), 44.8°(0.28), 45.6°(0.28), 58.0°(0.16), 61.1°(0.31), 65.4°(0.23), 71.5°(0.2), 79.8°(0.13), 88.4°(0.26).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-172915 | 5.28 5.28 4.05
90 90 119
La 0.000 0.000 0.000
Ni 0.667 0.333 -0.000
Ni 0.333 0.667 0.000
Rh 0.500 0.500 0.500
Rh 0.500 0.000 0.500
Rh 0.000 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Li2VF4.
The XRD pattern shows main peaks at: 20.3°(0.21), 23.9°(1.0), 30.8°(0.16), 37.9°(0.19), 41.4°(0.38), 44.1°(0.65), 50.8°(0.25), 57.4°(0.11), 62.1°(0.36), 64.1°(0.15), 79.3°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-100067 | 5.24 5.24 5.24
133 133 67
Li 0.250 0.750 0.500
Li 0.750 0.250 0.500
V 0.000 0.000 0.000
F 0.762 0.762 -0.000
F 0.238 0.238 0.000
F -0.000 0.500 0.500
F 0.500 -0.000 0.500 |
Below is a description of a material. | The chemical formula is: NaY2Be.
The XRD pattern shows main peaks at: 22.1°(0.81), 33.3°(0.28), 33.8°(1.0), 35.1°(0.22), 41.2°(0.31), 47.2°(0.2), 49.2°(0.09), 54.0°(0.14), 55.2°(0.23), 59.7°(0.1), 62.2°(0.17), 66.1°(0.07), 70.4°(0.24), 71.2°(0.11), 88.7°(0.06).
Generate atomic structure description with lattice lengths... | JVASP-68846 | 5.97 5.97 5.97
136 136 62
Na 0.750 0.250 0.500
Y 0.000 0.000 0.000
Y 0.250 0.750 0.500
Be 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: BP2.
The XRD pattern shows main peaks at: 16.3°(0.15), 29.4°(1.0), 32.9°(0.72), 36.4°(0.91), 44.7°(0.91), 47.5°(0.46), 49.9°(0.4), 58.9°(0.74), 61.0°(0.16), 68.9°(0.12), 71.0°(0.15), 73.1°(0.21), 76.7°(0.11), 77.4°(0.09), 80.6°(0.15), 82.5°(0.2), 84.8°(0.09), 86.6°(0.08), 88.0°(0.17).
Generate ... | JVASP-137836 | 5.45 3.04 2.47
90 90 90
B 0.000 0.451 0.000
P 0.250 -0.049 0.000
P 0.750 -0.049 0.000 |
Below is a description of a material. | The chemical formula is: YZn.
The XRD pattern shows main peaks at: 35.6°(1.0), 51.3°(0.17), 64.0°(0.36), 75.5°(0.1), 86.3°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-1396 | 3.56 3.56 3.56
90 90 90
Y 0.000 0.000 0.000
Zn 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: LiSnCl3.
The XRD pattern shows main peaks at: 17.7°(1.0), 24.7°(0.69), 25.6°(0.28), 31.2°(0.91), 35.8°(0.37), 39.6°(0.63), 42.9°(0.21), 44.5°(0.36), 52.5°(0.29), 54.9°(0.24), 62.4°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-36898 | 5.02 5.02 5.02
87 87 87
Li 0.110 0.122 0.112
Sn 0.491 0.503 0.493
Cl 0.137 0.637 0.139
Cl 0.137 0.149 0.627
Cl 0.625 0.149 0.139 |
Below is a description of a material. | The chemical formula is: BaTa2Tl.
The XRD pattern shows main peaks at: 11.8°(0.73), 23.8°(0.08), 26.2°(0.1), 33.1°(1.0), 33.5°(0.94), 35.3°(0.23), 36.0°(0.07), 41.2°(0.07), 43.3°(0.36), 47.5°(0.28), 49.2°(0.07), 49.7°(0.11), 54.6°(0.3), 59.4°(0.34), 66.2°(0.18), 69.5°(0.12), 75.3°(0.22), 79.2°(0.13).
Generate atomic st... | JVASP-65495 | 3.82 3.83 7.48
90 90 90
Ba 0.500 0.500 0.000
Ta 0.000 0.000 0.339
Ta 0.000 0.000 0.661
Tl 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: TlCuTe.
The XRD pattern shows main peaks at: 21.9°(0.06), 28.5°(0.51), 29.8°(1.0), 30.6°(0.26), 33.1°(0.06), 36.2°(0.46), 39.0°(0.09), 40.7°(0.49), 49.4°(0.22), 51.3°(0.47), 53.8°(0.13), 57.6°(0.06), 58.9°(0.16), 65.8°(0.17), 66.7°(0.1), 67.4°(0.1), 71.1°(0.11), 75.7°(0.06), 81.8°(0.11), 83.9°(... | JVASP-159835 | 4.43 4.43 8.12
90 90 90
Tl 0.500 0.000 0.348
Tl 0.000 0.500 0.652
Cu 0.000 0.000 0.000
Cu 0.500 0.500 0.000
Te 0.000 0.500 0.192
Te 0.500 0.000 0.808 |
Below is a description of a material. | The chemical formula is: CaNiGe2.
The XRD pattern shows main peaks at: 10.3°(0.32), 20.6°(0.12), 21.6°(0.3), 24.0°(0.12), 33.5°(0.26), 34.2°(1.0), 38.3°(0.29), 42.6°(0.38), 44.1°(0.31), 47.7°(0.12), 48.2°(0.45), 52.5°(0.13), 56.5°(0.1), 58.6°(0.16), 63.0°(0.21), 65.9°(0.08), 70.9°(0.1), 72.6°(0.11), 74.8°(0.1), 82.0°(0... | JVASP-88638 | 4.10 4.24 8.87
103 90 90
Ca 0.250 0.892 0.783
Ca 0.750 0.108 0.217
Ni 0.750 0.322 0.643
Ni 0.250 0.678 0.357
Ge 0.750 0.750 0.500
Ge 0.250 0.250 0.500
Ge 0.250 0.543 0.086
Ge 0.750 0.457 0.914 |
Below is a description of a material. | The chemical formula is: KSbF6.
The XRD pattern shows main peaks at: 16.9°(0.64), 18.2°(0.23), 24.0°(0.73), 25.0°(1.0), 30.3°(0.15), 36.9°(0.16), 42.8°(0.53), 44.6°(0.19), 49.2°(0.16), 51.3°(0.15), 52.9°(0.06), 54.4°(0.1), 55.4°(0.08), 55.9°(0.14), 58.9°(0.05), 63.1°(0.08), 65.8°(0.06), 67.2°(0.11), 68.5°(0.15), 77.6°(... | JVASP-34651 | 5.24 5.24 9.73
90 90 90
K 0.500 0.500 0.750
K 0.500 0.500 0.250
Sb 0.000 0.000 0.000
Sb 0.000 0.000 0.500
F 0.816 0.184 0.138
F 0.816 0.816 0.362
F 0.260 0.740 0.500
F 0.184 0.184 0.362
F 0.184 0.816 0.862
F 0.816 0.816 0.638
F 0.260 0.260 0.000
F 0.740 0.260 0.500
F 0.184 0.184 0.638
F 0.184 0.816 0.138
F 0.816 0.184 ... |
Below is a description of a material. | The chemical formula is: ErMo6Se8.
The XRD pattern shows main peaks at: 13.1°(0.43), 18.5°(0.41), 18.7°(0.42), 22.5°(0.11), 22.9°(0.18), 29.4°(0.44), 29.7°(0.39), 32.6°(0.8), 37.4°(0.27), 39.5°(0.48), 40.3°(0.97), 42.1°(0.64), 42.5°(0.25), 44.6°(1.0), 45.9°(0.26), 50.8°(0.2), 58.0°(0.44), 68.5°(0.21), 75.9°(0.17), 84.0... | JVASP-152947 | 6.76 6.76 6.76
89 89 89
Er 0.000 0.000 0.000
Mo 0.442 0.766 0.576
Mo 0.766 0.576 0.442
Mo 0.576 0.442 0.766
Mo 0.558 0.234 0.424
Mo 0.234 0.424 0.558
Mo 0.424 0.558 0.234
Se 0.764 0.764 0.764
Se 0.236 0.236 0.236
Se 0.879 0.241 0.632
Se 0.241 0.632 0.879
Se 0.632 0.879 0.241
Se 0.121 0.759 0.368
Se 0.759 0.368 0.121
Se... |
Below is a description of a material. | The chemical formula is: Nb4AlN3.
The XRD pattern shows main peaks at: 6.9°(0.24), 13.8°(0.06), 34.5°(0.18), 36.1°(0.12), 38.8°(1.0), 61.7°(0.21), 75.3°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-154610 | 3.01 3.01 25.75
90 90 120
Nb 0.667 0.333 0.055
Nb 0.333 0.667 0.555
Nb 0.333 0.667 0.945
Nb 0.667 0.333 0.445
Nb 0.667 0.333 0.663
Nb 0.333 0.667 0.163
Nb 0.333 0.667 0.337
Nb 0.667 0.333 0.837
Al 0.667 0.333 0.250
Al 0.333 0.667 0.750
N 0.000 0.000 0.000
N 0.000 0.000 0.500
N -0.000 -0.000 0.108
N 0.000 0.000 0.608
N ... |
Below is a description of a material. | The chemical formula is: YbKSe2.
The XRD pattern shows main peaks at: 11.7°(0.55), 24.5°(0.15), 28.9°(1.0), 37.0°(0.2), 40.2°(0.35), 42.5°(0.37), 44.2°(0.14), 48.3°(0.05), 50.8°(0.1), 52.2°(0.19), 59.9°(0.11), 66.2°(0.11), 69.5°(0.16), 76.2°(0.1), 77.7°(0.07).
Generate atomic structure description with lattice lengths,... | JVASP-79233 | 4.26 4.26 7.93
74 74 59
Yb 0.000 0.000 0.000
K 0.500 0.500 0.500
Se 0.264 0.264 0.208
Se 0.736 0.736 0.792 |
Below is a description of a material. | The chemical formula is: NaIn2Pb.
The XRD pattern shows main peaks at: 17.2°(0.35), 27.6°(0.31), 30.7°(0.33), 31.0°(0.35), 34.5°(1.0), 42.0°(0.11), 44.2°(0.25), 54.5°(0.07), 57.0°(0.12), 57.4°(0.24), 64.0°(0.1), 72.7°(0.06), 75.0°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates an... | JVASP-79733 | 13.47 8.24 8.24
40 23 23
Na 0.000 0.000 0.000
In 0.773 0.985 0.984
In 0.227 0.015 0.016
Pb 0.500 -0.000 0.000 |
Below is a description of a material. | The chemical formula is: BeNb4Ru.
The XRD pattern shows main peaks at: 20.6°(0.44), 23.8°(0.13), 33.9°(0.13), 40.0°(1.0), 41.8°(0.65), 48.7°(0.14), 53.4°(0.1), 64.7°(0.34), 71.3°(0.3), 75.1°(0.08), 85.0°(0.12), 86.2°(0.23).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-67595 | 5.29 5.29 5.29
60 60 60
Be 0.000 0.000 0.000
Nb 0.125 0.625 0.625
Nb 0.625 0.625 0.625
Nb 0.625 0.125 0.625
Nb 0.625 0.625 0.125
Ru 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: NaLuO2.
The XRD pattern shows main peaks at: 17.6°(1.0), 26.6°(0.48), 32.0°(0.18), 32.7°(0.32), 33.4°(0.74), 37.2°(0.58), 38.7°(0.08), 39.2°(0.71), 43.4°(0.08), 47.5°(0.12), 49.3°(0.08), 52.3°(0.11), 54.6°(0.26), 55.7°(0.25), 56.3°(0.12), 57.0°(0.1), 64.6°(0.1), 66.6°(0.09), 67.5°(0.09), 70.1°(... | JVASP-50981 | 5.77 5.91 7.24
105 104 111
Na 0.806 0.055 0.611
Na 0.430 0.180 0.860
Na 0.570 0.820 0.140
Na 0.194 0.945 0.389
Lu 0.943 0.693 0.887
Lu 0.683 0.433 0.366
Lu 0.317 0.567 0.634
Lu 0.057 0.307 0.113
O 0.942 0.233 0.373
O 0.707 0.918 0.876
O 0.569 0.359 0.627
O 0.169 0.458 0.876
O 0.831 0.542 0.124
O 0.431 0.641 0.373
O 0.2... |
Below is a description of a material. | The chemical formula is: HoNiC2.
The XRD pattern shows main peaks at: 24.7°(0.33), 29.7°(0.2), 35.5°(1.0), 39.2°(0.24), 40.0°(0.18), 49.7°(0.19), 50.6°(0.14), 51.5°(0.11), 56.5°(0.1), 57.3°(0.14), 57.9°(0.07), 60.6°(0.06), 67.2°(0.07), 69.8°(0.12), 74.4°(0.11), 75.1°(0.08), 81.5°(0.09), 86.6°(0.08).
Generate atomic str... | JVASP-15526 | 3.55 3.76 3.76
106 90 90
Ho 0.000 -0.000 0.000
Ni 0.500 0.613 0.387
C 0.500 0.150 0.547
C 0.500 0.453 0.850 |
Below is a description of a material. | The chemical formula is: BaErCuS3.
The XRD pattern shows main peaks at: 13.1°(0.54), 21.9°(1.0), 24.8°(0.26), 26.4°(0.59), 29.2°(0.75), 29.9°(0.41), 31.2°(1.0), 34.8°(0.79), 35.4°(0.89), 40.3°(0.28), 44.2°(0.6), 44.7°(0.42), 45.4°(0.35), 50.9°(0.23), 53.5°(0.17), 54.7°(0.23), 58.8°(0.26), 59.9°(0.15), 65.0°(0.22), 65.6... | JVASP-11367 | 4.00 7.04 10.13
90 90 106
Ba 0.744 0.488 0.250
Ba 0.256 0.512 0.750
Er 0.000 0.000 0.500
Er 0.000 0.000 0.000
Cu 0.533 0.066 0.750
Cu 0.467 0.934 0.250
S 0.934 0.869 0.750
S 0.066 0.131 0.250
S 0.632 0.263 0.559
S 0.632 0.263 0.941
S 0.368 0.737 0.059
S 0.368 0.737 0.441 |
Below is a description of a material. | The chemical formula is: YCO.
The XRD pattern shows main peaks at: 20.7°(1.0), 25.4°(0.74), 33.0°(0.73), 42.2°(0.15), 44.8°(0.36), 49.9°(0.74), 52.2°(0.1), 56.8°(0.17), 63.2°(0.22), 69.3°(0.09), 71.3°(0.08), 82.8°(0.1), 86.4°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and ato... | JVASP-138382 | 4.04 4.04 4.28
90 90 120
Y 0.667 0.333 0.000
C 0.000 0.000 0.000
O 0.333 0.667 0.000 |
Below is a description of a material. | The chemical formula is: CaB2.
The XRD pattern shows main peaks at: 21.8°(0.18), 32.1°(0.37), 39.2°(1.0), 44.5°(0.15), 56.0°(0.14), 57.3°(0.19), 62.1°(0.07), 71.6°(0.13), 75.3°(0.15), 78.4°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-36379 | 3.22 3.22 4.07
90 90 120
Ca 0.000 0.000 0.000
B 0.333 0.667 0.500
B 0.667 0.333 0.500 |
Below is a description of a material. | The chemical formula is: TmFe6Sn6.
The XRD pattern shows main peaks at: 20.0°(0.06), 30.2°(0.11), 33.2°(1.0), 35.9°(0.47), 38.5°(0.3), 39.1°(0.82), 40.6°(0.23), 43.8°(0.43), 45.5°(0.24), 49.7°(0.16), 53.4°(0.14), 59.3°(0.2), 61.1°(0.2), 63.2°(0.21), 69.7°(0.29), 80.9°(0.09), 83.9°(0.18).
Generate atomic structure descr... | JVASP-141073 | 5.40 5.40 8.88
90 90 120
Tm 0.000 0.000 0.000
Fe 0.500 0.500 0.753
Fe 0.500 0.000 0.753
Fe -0.000 0.500 0.753
Fe 0.500 0.500 0.247
Fe 0.500 0.000 0.247
Fe -0.000 0.500 0.247
Sn 0.667 0.333 0.000
Sn 0.333 0.667 0.000
Sn 0.667 0.333 0.500
Sn 0.333 0.667 0.500
Sn 0.000 0.000 0.665
Sn 0.000 0.000 0.335 |
Below is a description of a material. | The chemical formula is: NaNdMo2O8.
The XRD pattern shows main peaks at: 15.4°(0.13), 18.4°(0.18), 23.8°(0.09), 28.4°(1.0), 31.0°(0.13), 33.9°(0.19), 46.6°(0.33), 48.7°(0.13), 53.6°(0.16), 57.3°(0.27), 58.9°(0.11), 75.3°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom typ... | JVASP-170491 | 5.29 5.29 6.87
67 67 90
Na 0.375 0.625 0.250
Nd 0.625 0.375 0.750
Mo 0.875 0.125 0.250
Mo 0.125 0.875 0.750
O 0.644 0.277 0.424
O 0.933 0.799 0.424
O 0.286 0.944 0.914
O 0.800 0.641 0.914
O 0.359 0.714 0.586
O 0.056 0.200 0.586
O 0.723 0.067 0.076
O 0.201 0.356 0.076 |
Below is a description of a material. | The chemical formula is: BaRuCl2.
The XRD pattern shows main peaks at: 14.7°(0.34), 25.8°(0.59), 30.0°(1.0), 33.5°(0.18), 36.7°(0.73), 42.8°(0.43), 45.6°(0.08), 50.7°(0.21), 53.0°(0.14), 55.2°(0.15), 57.7°(0.36), 62.2°(0.12), 64.0°(0.1), 65.9°(0.14), 70.6°(0.19), 74.5°(0.08), 78.4°(0.09), 80.2°(0.05), 81.9°(0.15), 87.9... | JVASP-68969 | 4.22 4.22 6.02
90 90 90
Ba 0.500 0.500 0.806
Ru 0.000 0.000 0.474
Cl 0.000 0.000 0.900
Cl 0.500 0.500 0.320 |
Below is a description of a material. | The chemical formula is: Al4InAgSe8.
The XRD pattern shows main peaks at: 17.4°(0.1), 21.8°(0.09), 27.3°(1.0), 29.1°(0.1), 35.2°(0.07), 44.4°(0.22), 45.9°(0.29), 53.0°(0.14), 55.5°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-144376 | 6.80 6.80 8.17
89 89 106
Al 0.986 0.014 0.500
Al 0.514 0.486 0.000
Al 0.992 0.490 0.757
Al 0.510 0.008 0.243
In 0.506 0.494 0.500
Ag 0.995 0.005 -0.000
Se 0.401 0.122 0.991
Se 0.910 0.637 0.496
Se 0.878 0.599 0.009
Se 0.363 0.090 0.504
Se 0.869 0.156 0.266
Se 0.369 0.638 0.767
Se 0.844 0.131 0.734
Se 0.362 0.631 0.233 |
Below is a description of a material. | The chemical formula is: NdSb12Os4.
The XRD pattern shows main peaks at: 18.8°(0.3), 26.7°(0.32), 29.9°(1.0), 35.6°(0.45), 38.1°(0.11), 42.8°(0.55), 47.1°(0.62), 62.1°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-20897 | 8.18 8.18 8.18
109 109 109
Nd 0.000 0.000 0.000
Sb 0.505 0.661 0.844
Sb 0.844 0.505 0.661
Sb 0.661 0.156 0.818
Sb 0.844 0.182 0.339
Sb 0.156 0.818 0.661
Sb 0.661 0.844 0.505
Sb 0.495 0.339 0.156
Sb 0.156 0.495 0.339
Sb 0.339 0.156 0.495
Sb 0.182 0.339 0.844
Sb 0.818 0.661 0.156
Sb 0.339 0.844 0.182
Os 0.500 0.500 0.500... |
Below is a description of a material. | The chemical formula is: Ti2VTe4.
The XRD pattern shows main peaks at: 28.8°(0.17), 29.3°(0.48), 29.8°(1.0), 38.7°(0.15), 39.2°(0.41), 45.2°(0.34), 46.4°(0.18), 51.7°(0.15), 54.4°(0.16), 55.8°(0.18), 59.6°(0.06), 61.9°(0.05), 77.6°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates a... | JVASP-104678 | 7.38 7.38 7.01
61 61 30
Ti 0.001 0.001 0.998
Ti 0.247 0.247 0.711
V 0.752 0.752 0.288
Te 0.112 0.112 0.542
Te 0.889 0.889 0.453
Te 0.365 0.365 0.966
Te 0.634 0.634 0.043 |
Below is a description of a material. | The chemical formula is: AuS3.
The XRD pattern shows main peaks at: 18.3°(1.0), 25.6°(0.35), 26.4°(0.28), 27.1°(0.73), 28.3°(0.47), 29.3°(0.13), 37.0°(0.48), 37.9°(0.09), 38.4°(0.08), 39.8°(0.33), 40.3°(0.33), 41.1°(0.12), 42.1°(0.11), 47.6°(0.09), 48.0°(0.09), 48.9°(0.11), 52.2°(0.11), 52.7°(0.14), 54.2°(0.15), 56.3°(... | JVASP-115459 | 5.26 5.05 5.32
84 79 139
Au 0.061 0.487 0.023
S 0.034 -0.021 0.969
S 0.283 0.187 0.545
S 0.509 -0.015 0.506 |
Below is a description of a material. | The chemical formula is: DySn2.
The XRD pattern shows main peaks at: 25.9°(0.05), 32.7°(0.21), 33.2°(1.0), 38.9°(0.06), 40.9°(0.15), 41.6°(0.14), 53.3°(0.1), 53.8°(0.09), 58.7°(0.1), 59.7°(0.11), 69.6°(0.15), 70.6°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-17581 | 4.35 4.42 8.51
105 90 90
Dy 0.250 0.901 0.802
Dy 0.750 0.099 0.198
Sn 0.250 0.251 0.502
Sn 0.750 0.749 0.498
Sn 0.750 0.437 0.874
Sn 0.250 0.563 0.126 |
Below is a description of a material. | The chemical formula is: MgCN2.
The XRD pattern shows main peaks at: 19.7°(0.39), 31.2°(0.17), 37.2°(0.46), 40.1°(0.34), 44.7°(1.0), 49.3°(0.14), 51.7°(0.35), 61.6°(0.31), 65.0°(0.23), 68.7°(0.05), 70.9°(0.12), 77.4°(0.09), 79.2°(0.13), 87.6°(0.14).
Generate atomic structure description with lattice lengths, angles, co... | JVASP-136228 | 2.87 2.87 4.50
90 90 90
Mg 0.500 0.500 0.486
C 0.000 0.000 0.890
N 0.000 0.000 0.609
N 0.500 0.500 0.025 |
Below is a description of a material. | The chemical formula is: Ba2Zn.
The XRD pattern shows main peaks at: 12.0°(0.09), 22.3°(0.31), 24.1°(0.19), 28.2°(1.0), 30.6°(0.6), 37.4°(0.37), 39.3°(0.21), 43.8°(0.22), 48.4°(0.09), 49.3°(0.08), 50.6°(0.1), 52.9°(0.33), 58.9°(0.2), 63.6°(0.08), 68.0°(0.12), 71.0°(0.07), 72.2°(0.11), 77.4°(0.06), 84.5°(0.05), 87.2°(0.... | JVASP-35802 | 4.14 4.14 7.95
105 105 90
Ba 0.629 0.629 0.257
Ba 0.371 0.371 0.743
Zn 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: CaBeHg2.
The XRD pattern shows main peaks at: 12.4°(0.65), 28.6°(0.97), 36.0°(1.0), 36.6°(0.59), 37.7°(0.21), 38.8°(0.19), 51.0°(0.06), 52.7°(0.2), 53.5°(0.27), 54.4°(0.08), 58.0°(0.06), 61.1°(0.24), 64.4°(0.13), 65.5°(0.36), 66.6°(0.16), 71.2°(0.16), 76.4°(0.08), 77.8°(0.07), 84.9°(0.05), 89.2... | JVASP-71107 | 3.47 3.47 7.16
90 90 90
Ca 0.500 0.500 0.738
Be 0.000 0.000 0.428
Hg 0.000 0.000 0.018
Hg 0.500 0.500 0.317 |
Below is a description of a material. | The chemical formula is: Mg3MoN4.
The XRD pattern shows main peaks at: 14.6°(0.23), 15.7°(0.35), 19.4°(0.18), 21.6°(1.0), 24.3°(0.37), 24.9°(0.3), 29.0°(0.88), 29.5°(0.5), 31.9°(0.53), 33.6°(0.21), 35.1°(0.67), 35.7°(0.24), 39.5°(0.42), 42.0°(0.19), 49.8°(0.43), 51.1°(0.32), 52.1°(0.6), 66.4°(0.14), 67.0°(0.13), 67.5°(... | JVASP-111847 | 5.80 5.80 6.05
90 90 76
Mg 0.150 0.615 0.168
Mg 0.850 0.385 0.832
Mg 0.385 0.850 0.832
Mg 0.615 0.150 0.168
Mg 0.114 0.114 0.324
Mg 0.886 0.886 0.676
Mo 0.668 0.668 0.330
Mo 0.332 0.332 0.670
N 0.125 0.125 0.682
N 0.875 0.875 0.318
N 0.602 0.151 0.820
N 0.398 0.849 0.180
N 0.849 0.398 0.180
N 0.151 0.602 0.820
N 0.357 ... |
Below is a description of a material. | The chemical formula is: Te2MoWSe2.
The XRD pattern shows main peaks at: 2.4°(1.0), 4.9°(0.19), 12.3°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-28938 | 3.44 3.44 36.08
90 89 120
Te 0.333 0.667 0.719
Te 0.667 0.333 0.414
Te 0.667 0.333 0.517
Te 0.333 0.667 0.615
Mo 0.333 0.667 0.095
Mo 0.333 0.667 0.466
W 0.667 0.333 0.275
W 0.667 0.333 0.667
Se 0.333 0.667 0.320
Se 0.667 0.333 0.050
Se 0.667 0.333 0.140
Se 0.333 0.667 0.229 |
Below is a description of a material. | The chemical formula is: TaTi2SbH.
The XRD pattern shows main peaks at: 22.6°(0.23), 29.3°(0.26), 37.3°(1.0), 41.9°(0.34), 46.1°(0.14), 48.1°(0.12), 55.6°(0.09), 60.8°(0.12), 64.1°(0.2), 65.7°(0.05), 73.6°(0.25), 79.5°(0.2), 86.9°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates an... | JVASP-187464 | 4.31 3.94 4.31
90 90 90
Sb 0.500 0.500 0.500
Ti -0.000 -0.000 0.500
Ti 0.500 -0.000 0.000
H -0.000 0.000 -0.000
Ta 0.000 0.500 -0.000 |
Below is a description of a material. | The chemical formula is: Mn2SnPd3.
The XRD pattern shows main peaks at: 24.3°(0.06), 28.1°(0.08), 40.1°(0.97), 40.3°(1.0), 58.1°(0.32), 73.1°(0.37), 87.1°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-144663 | 4.48 4.48 11.07
90 90 120
Mn 0.000 0.000 0.500
Mn 0.333 0.667 0.161
Mn 0.667 0.333 0.839
Mn 0.000 0.000 0.000
Sn 0.333 0.667 0.670
Sn 0.667 0.333 0.330
Pd 0.333 0.667 0.418
Pd 0.667 0.333 0.077
Pd 0.000 0.000 0.758
Pd 0.000 0.000 0.242
Pd 0.333 0.667 0.923
Pd 0.667 0.333 0.582 |
Below is a description of a material. | The chemical formula is: V2CoO6.
The XRD pattern shows main peaks at: 20.2°(0.14), 27.7°(0.33), 28.7°(1.0), 29.6°(0.1), 32.9°(0.43), 39.0°(0.17), 41.2°(0.09), 43.5°(0.11), 46.8°(0.07), 49.0°(0.1), 53.0°(0.19), 55.6°(0.06), 56.8°(0.11), 59.1°(0.09), 61.4°(0.19), 62.0°(0.15), 62.8°(0.08), 70.4°(0.09).
Generate atomic str... | JVASP-90491 | 3.46 4.99 6.67
109 90 110
V 0.790 0.605 0.336
V 0.185 0.395 0.664
Co 0.987 0.000 0.000
O 0.675 0.375 0.560
O 0.029 0.083 0.740
O 0.946 0.917 0.260
O 0.300 0.625 0.440
O 0.341 0.707 0.892
O 0.634 0.293 0.108 |
Below is a description of a material. | The chemical formula is: Pa3Cl.
The XRD pattern shows main peaks at: 19.8°(0.19), 28.2°(0.18), 34.7°(1.0), 40.3°(0.51), 45.3°(0.11), 49.9°(0.08), 58.3°(0.35), 62.2°(0.05), 69.7°(0.42), 73.3°(0.12), 87.1°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-125673 | 4.47 4.47 4.47
90 90 90
Pa 0.000 0.500 0.000
Pa 0.500 0.000 0.000
Pa 0.500 0.500 0.500
Cl 0.000 0.000 0.500 |
Below is a description of a material. | The chemical formula is: YBe2Rh.
The XRD pattern shows main peaks at: 24.6°(1.0), 40.8°(0.99), 48.2°(0.5), 59.0°(0.17), 64.9°(0.19), 74.2°(0.34), 79.6°(0.14), 88.3°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-69928 | 4.43 4.43 4.43
120 120 89
Y 0.750 0.250 0.500
Be 0.000 0.000 0.000
Be 0.250 0.750 0.500
Rh 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: MgZn2N2.
The XRD pattern shows main peaks at: 15.2°(0.29), 31.0°(0.23), 34.7°(1.0), 44.2°(0.89), 46.8°(0.16), 55.1°(0.41), 57.2°(0.08), 66.8°(0.15), 72.7°(0.13), 73.2°(0.17), 75.1°(0.21).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-100047 | 3.33 3.33 5.83
90 90 120
Mg 0.000 0.000 0.000
Zn 0.667 0.333 0.345
Zn 0.333 0.667 0.655
N 0.667 0.333 0.771
N 0.333 0.667 0.229 |
Below is a description of a material. | The chemical formula is: Be3Co.
The XRD pattern shows main peaks at: 22.4°(0.41), 33.5°(1.0), 39.4°(0.42), 45.8°(0.13), 50.3°(0.13), 52.7°(0.46), 65.7°(0.16), 67.7°(0.22), 71.4°(0.06), 84.8°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-187731 | 3.63 4.57 4.57
119 90 90
Be 0.250 0.167 0.333
Be 0.250 0.667 0.833
Be 0.250 0.167 0.833
Be 0.750 0.833 0.667
Be 0.750 0.333 0.167
Be 0.750 0.833 0.167
Co 0.750 0.333 0.667
Co 0.250 0.667 0.333 |
Below is a description of a material. | The chemical formula is: UWC2.
The XRD pattern shows main peaks at: 29.4°(0.45), 32.9°(1.0), 33.7°(0.4), 35.3°(0.37), 38.1°(0.22), 42.9°(0.26), 45.7°(0.22), 51.8°(0.15), 55.7°(0.07), 58.0°(0.19), 58.3°(0.14), 59.0°(0.18), 60.4°(0.08), 63.9°(0.06), 64.5°(0.16), 74.2°(0.09), 76.3°(0.1), 82.0°(0.06), 89.6°(0.05).
Generate... | JVASP-59640 | 3.97 5.24 10.63
90 90 90
U 0.250 0.623 0.627
U 0.750 0.377 0.373
U 0.250 0.123 0.873
U 0.750 0.877 0.127
W 0.250 0.901 0.390
W 0.750 0.099 0.610
W 0.250 0.401 0.110
W 0.750 0.599 0.890
C 0.750 0.362 0.157
C 0.250 0.638 0.843
C 0.750 0.862 0.343
C 0.250 0.138 0.657
C 0.750 0.273 0.013
C 0.250 0.727 0.987
C 0.750 0.773 0... |
Below is a description of a material. | The chemical formula is: AlAs.
The XRD pattern shows main peaks at: 29.1°(0.43), 33.7°(1.0), 48.4°(0.7), 57.4°(0.18), 60.3°(0.22), 70.8°(0.1), 80.8°(0.3).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-38023 | 3.76 3.76 3.76
60 59 60
Al 0.463 0.497 0.510
As 0.963 0.997 0.010 |
Below is a description of a material. | The chemical formula is: HoMo6S8.
The XRD pattern shows main peaks at: 13.7°(0.77), 19.3°(0.88), 23.5°(0.3), 23.9°(0.41), 31.0°(0.75), 34.0°(0.74), 41.3°(0.67), 42.1°(1.0), 44.0°(0.71), 44.4°(0.42), 46.5°(0.96), 48.0°(0.15), 51.1°(0.07), 53.2°(0.09), 60.7°(0.31), 63.9°(0.24), 71.8°(0.23).
Generate atomic structure desc... | JVASP-34348 | 6.48 6.48 6.48
89 89 89
Ho 0.000 0.000 0.000
Mo 0.579 0.776 0.440
Mo 0.776 0.440 0.579
Mo 0.421 0.224 0.560
Mo 0.440 0.579 0.776
Mo 0.224 0.560 0.421
Mo 0.560 0.421 0.224
S 0.755 0.127 0.367
S 0.633 0.245 0.873
S 0.245 0.873 0.633
S 0.238 0.238 0.238
S 0.127 0.367 0.755
S 0.367 0.755 0.127
S 0.762 0.762 0.762
S 0.873 0... |
Below is a description of a material. | The chemical formula is: Sm2TeO6.
The XRD pattern shows main peaks at: 24.8°(1.0), 31.4°(0.96), 35.4°(0.27), 48.1°(0.68), 51.0°(0.17), 57.5°(0.18), 61.1°(0.21), 72.6°(0.15), 83.5°(0.14), 85.7°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-50126 | 5.07 5.07 10.33
90 90 90
Sm 0.000 0.000 0.335
Sm 0.000 0.000 0.665
Sm 0.500 0.500 0.165
Sm 0.500 0.500 0.835
Te 0.000 0.000 0.000
Te 0.500 0.500 0.500
O 0.773 0.773 0.500
O 0.727 0.273 0.000
O 0.681 0.319 0.642
O 0.681 0.319 0.358
O 0.319 0.681 0.642
O 0.227 0.227 0.500
O 0.273 0.727 0.000
O 0.819 0.819 0.142
O 0.181 0... |
Below is a description of a material. | The chemical formula is: TmLuIr2.
The XRD pattern shows main peaks at: 37.9°(1.0), 54.7°(0.17), 68.4°(0.34), 81.0°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-79407 | 4.75 4.75 4.75
60 60 60
Tm 0.750 0.750 0.750
Lu 0.250 0.250 0.250
Ir 0.000 0.000 0.000
Ir 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: BaMnO3.
The XRD pattern shows main peaks at: 24.7°(0.35), 27.8°(0.69), 31.3°(1.0), 34.9°(0.14), 38.7°(0.14), 40.3°(0.29), 42.4°(0.41), 46.8°(0.11), 47.6°(0.08), 50.6°(0.12), 53.6°(0.18), 55.8°(0.19), 57.4°(0.09), 65.4°(0.2).
Generate atomic structure description with lattice lengths, angles, co... | JVASP-11684 | 7.76 7.76 7.76
43 43 43
Ba 0.782 0.782 0.782
Ba 0.218 0.218 0.218
Ba 0.000 0.000 0.000
Mn 0.619 0.619 0.619
Mn 0.381 0.381 0.381
Mn 0.500 0.500 0.500
O 0.500 0.000 0.500
O 0.000 0.500 0.500
O 0.500 0.500 0.000
O 0.294 0.294 0.737
O 0.294 0.737 0.294
O 0.737 0.294 0.294
O 0.706 0.263 0.706
O 0.706 0.706 0.263
O 0.263 0.... |
Below is a description of a material. | The chemical formula is: HoTiClO3.
The XRD pattern shows main peaks at: 18.9°(0.85), 22.6°(0.16), 23.5°(0.2), 25.6°(1.0), 28.7°(0.2), 30.7°(0.23), 33.1°(0.14), 35.9°(0.72), 37.7°(0.32), 39.1°(0.12), 40.3°(0.11), 42.3°(0.13), 43.8°(0.15), 45.7°(0.14), 46.7°(0.24), 47.4°(0.11), 48.8°(0.17), 50.8°(0.1), 61.5°(0.17), 63.9°... | JVASP-145312 | 5.28 5.28 9.77
74 74 43
Ho 0.278 0.278 0.202
Ho 0.722 0.722 0.798
Ti 0.882 0.882 0.429
Ti 0.118 0.118 0.571
Cl 0.613 0.613 0.096
Cl 0.387 0.387 0.904
O 0.851 0.851 0.248
O 0.149 0.149 0.752
O 0.668 0.668 0.566
O 0.332 0.332 0.434
O 0.921 0.921 0.626
O 0.079 0.079 0.374 |
Below is a description of a material. | The chemical formula is: Pm2ZnSi.
The XRD pattern shows main peaks at: 24.6°(0.29), 35.1°(1.0), 43.3°(0.08), 50.5°(0.17), 56.9°(0.11), 63.0°(0.34), 74.2°(0.11), 79.5°(0.06), 84.8°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-42007 | 5.11 5.11 5.11
60 60 60
Pm 0.000 0.000 0.000
Pm 0.500 0.500 0.500
Zn 0.750 0.750 0.750
Si 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: Ag2SeO4.
The XRD pattern shows main peaks at: 21.2°(0.13), 27.9°(0.49), 29.3°(1.0), 33.4°(0.65), 34.4°(0.07), 35.5°(0.33), 43.1°(0.06), 45.7°(0.3), 51.4°(0.06), 52.9°(0.23), 57.2°(0.13), 58.4°(0.13), 66.9°(0.06), 70.1°(0.08).
Generate atomic structure description with lattice lengths, angles, c... | JVASP-10796 | 6.29 6.29 7.05
101 101 123
Ag 0.181 0.819 0.250
Ag 0.569 0.431 0.250
Ag 0.819 0.181 0.750
Ag 0.431 0.569 0.750
Se 0.875 0.125 0.250
Se 0.125 0.875 0.750
O 0.868 0.300 0.099
O 0.201 0.269 0.401
O 0.700 0.132 0.401
O 0.731 0.799 0.099
O 0.132 0.700 0.901
O 0.799 0.731 0.599
O 0.269 0.201 0.901
O 0.300 0.868 0.599 |
Below is a description of a material. | The chemical formula is: NaRe.
The XRD pattern shows main peaks at: 16.4°(1.0), 33.2°(0.33), 38.3°(0.44), 41.9°(0.95), 50.8°(0.06), 51.6°(0.36), 65.3°(0.25), 69.2°(0.11), 71.7°(0.12), 78.9°(0.16), 82.4°(0.1), 84.3°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-132658 | 2.72 2.72 5.39
90 90 120
Na 0.667 0.333 0.750
Re 0.333 0.667 0.250 |
Below is a description of a material. | The chemical formula is: LaCu2Sn2.
The XRD pattern shows main peaks at: 25.2°(0.05), 27.8°(0.12), 29.1°(0.12), 32.1°(0.59), 32.7°(1.0), 39.8°(0.73), 44.4°(0.25), 47.4°(0.25), 52.0°(0.3), 57.5°(0.23), 63.5°(0.19), 67.8°(0.23), 75.4°(0.09), 77.7°(0.05), 81.3°(0.09), 85.8°(0.08).
Generate atomic structure description with... | JVASP-150727 | 4.53 4.53 10.59
90 90 90
La 0.250 0.250 0.761
La 0.750 0.750 0.239
Cu 0.750 0.250 0.000
Cu 0.250 0.750 0.000
Cu 0.250 0.250 0.366
Cu 0.750 0.750 0.634
Sn 0.750 0.250 0.500
Sn 0.250 0.750 0.500
Sn 0.250 0.250 0.126
Sn 0.750 0.750 0.874 |
Below is a description of a material. | The chemical formula is: LuIn3.
The XRD pattern shows main peaks at: 33.8°(1.0), 39.2°(0.53), 56.6°(0.35), 67.6°(0.39), 71.0°(0.12), 84.2°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-19925 | 4.60 4.60 4.60
90 90 90
Lu 0.000 0.000 0.000
In 0.500 0.000 0.500
In 0.000 0.500 0.500
In 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: CaTi4S8.
The XRD pattern shows main peaks at: 13.4°(0.69), 30.4°(0.11), 35.1°(1.0), 44.1°(0.16), 47.7°(0.34), 53.3°(0.3), 55.4°(0.06), 59.9°(0.08), 65.5°(0.14), 74.3°(0.09), 89.3°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-22485 | 7.73 7.73 7.73
52 52 52
Ca 0.500 0.500 0.500
Ti 0.500 1.000 0.500
Ti 1.000 0.500 0.500
Ti 0.500 0.500 -0.000
Ti 0.000 0.000 0.000
S 0.763 0.256 0.763
S 0.237 0.237 0.744
S 0.237 0.744 0.237
S 0.744 0.237 0.237
S 0.262 0.262 0.262
S 0.738 0.738 0.738
S 0.256 0.763 0.763
S 0.763 0.763 0.256 |
Below is a description of a material. | The chemical formula is: MgPb2.
The XRD pattern shows main peaks at: 5.5°(0.25), 16.7°(0.18), 22.3°(0.1), 28.0°(0.06), 29.3°(0.36), 29.8°(0.1), 31.4°(0.12), 33.9°(1.0), 51.9°(0.21), 54.9°(0.05), 57.2°(0.05), 63.4°(0.16), 86.3°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and at... | JVASP-106564 | 3.52 3.52 15.94
90 90 120
Mg 0.000 0.000 0.342
Mg 0.000 0.000 0.658
Pb 0.333 0.667 0.815
Pb 0.000 0.000 0.000
Pb 0.333 0.667 0.185
Pb 0.333 0.667 0.500 |
Below is a description of a material. | The chemical formula is: HgN.
The XRD pattern shows main peaks at: 27.9°(0.46), 28.9°(1.0), 33.6°(0.3), 40.6°(0.83), 44.2°(0.33), 48.0°(0.11), 56.4°(0.18), 57.2°(0.14), 57.7°(0.08), 59.8°(0.13), 64.9°(0.2), 65.8°(0.2), 67.3°(0.16), 68.5°(0.08), 77.6°(0.12), 78.2°(0.05), 84.4°(0.1), 85.7°(0.1), 87.9°(0.1).
Generate atom... | JVASP-124361 | 3.27 3.20 3.27
90 109 90
Hg 0.500 0.500 -0.000
N 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Fe3N.
The XRD pattern shows main peaks at: 40.4°(0.17), 41.5°(0.24), 45.7°(1.0), 59.4°(0.17), 73.5°(0.14), 78.7°(0.16), 88.2°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-149833 | 4.46 4.46 4.35
90 90 119
Fe -0.000 0.681 -0.000
Fe 0.319 0.319 0.000
Fe 0.681 -0.000 0.000
Fe 0.000 0.319 0.500
Fe 0.681 0.681 0.500
Fe 0.319 -0.000 0.500
N 0.667 0.333 0.250
N 0.333 0.667 0.750 |
Below is a description of a material. | The chemical formula is: CdCuP2O7.
The XRD pattern shows main peaks at: 17.0°(0.32), 20.0°(0.32), 28.5°(0.42), 29.0°(1.0), 30.2°(0.79), 34.3°(0.47), 37.4°(0.11), 38.3°(0.1), 41.5°(0.3), 43.1°(0.18), 44.2°(0.12), 49.2°(0.2), 52.6°(0.13), 53.2°(0.14), 54.7°(0.12), 55.3°(0.13), 56.6°(0.21), 59.7°(0.1), 60.5°(0.12), 70.4°(... | JVASP-122214 | 5.45 5.45 4.54
82 82 103
Cd 0.709 0.291 0.500
Cu 0.322 0.678 0.500
P 0.216 0.208 0.088
P 0.792 0.784 0.912
O 0.114 0.382 0.287
O 0.618 0.886 0.713
O -0.043 0.043 0.000
O 0.357 0.035 0.250
O 0.965 0.643 0.750
O 0.377 0.362 0.789
O 0.638 0.623 0.211 |
Below is a description of a material. | The chemical formula is: LiMg6Bi.
The XRD pattern shows main peaks at: 15.8°(1.0), 17.3°(0.37), 23.5°(0.98), 27.6°(0.3), 31.9°(0.33), 32.7°(0.32), 35.1°(0.25), 36.5°(0.84), 38.7°(0.25), 45.2°(0.18), 46.2°(0.12), 48.1°(0.24), 56.9°(0.11), 63.9°(0.19), 68.7°(0.13), 69.3°(0.11).
Generate atomic structure description with ... | JVASP-93163 | 6.47 6.47 5.11
90 90 119
Li 0.164 0.336 0.250
Mg 0.161 0.814 0.250
Mg 0.686 0.339 0.250
Mg 0.665 0.835 0.250
Mg 0.333 0.666 0.750
Mg 0.834 0.167 0.750
Mg 0.831 0.669 0.750
Bi 0.327 0.173 0.750 |
Below is a description of a material. | The chemical formula is: Te2MoWSeS.
The XRD pattern shows main peaks at: 2.5°(1.0), 5.0°(0.24), 7.5°(0.06), 12.6°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-28959 | 3.40 3.40 35.14
89 89 120
Te 0.333 0.666 0.729
Te 0.667 0.333 0.414
Te 0.666 0.333 0.520
Te 0.334 0.668 0.621
Mo 0.333 0.666 0.467
Mo 0.667 0.333 0.270
W 0.333 0.667 0.091
W 0.667 0.334 0.675
Se 0.333 0.666 0.317
Se 0.333 0.667 0.224
S 0.667 0.334 0.048
S 0.666 0.333 0.133 |
Below is a description of a material. | The chemical formula is: Mo2WSe2S4.
The XRD pattern shows main peaks at: 3.0°(1.0), 5.9°(0.24), 11.9°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-28555 | 3.23 3.23 29.72
90 90 120
Mo 0.333 0.667 0.116
Mo 0.667 0.333 0.347
W 0.333 0.667 0.578
Se 0.667 0.333 0.521
Se 0.667 0.333 0.636
S 0.333 0.667 0.399
S 0.667 0.333 0.064
S 0.667 0.333 0.168
S 0.333 0.667 0.295 |
Below is a description of a material. | The chemical formula is: Sr2In3Rh2.
The XRD pattern shows main peaks at: 16.9°(0.55), 27.4°(0.09), 30.6°(0.4), 32.1°(0.45), 32.7°(0.13), 34.0°(0.36), 34.9°(0.57), 36.3°(1.0), 40.1°(0.32), 40.4°(0.21), 42.1°(0.46), 45.6°(0.09), 55.1°(0.2), 56.5°(0.17), 57.5°(0.1), 62.1°(0.13), 63.1°(0.23), 73.1°(0.12), 73.8°(0.1), 79.3°... | JVASP-149508 | 5.90 5.90 7.97
67 67 42
Sr 0.145 0.145 0.222
Sr 0.855 0.855 0.778
In 0.500 0.500 -0.000
In 0.361 0.361 0.445
In 0.639 0.639 0.555
Rh 0.130 0.130 0.793
Rh 0.870 0.870 0.207 |
Below is a description of a material. | The chemical formula is: Ir3W.
The XRD pattern shows main peaks at: 37.4°(0.23), 40.7°(0.27), 42.7°(1.0), 56.4°(0.16), 67.4°(0.18), 75.5°(0.18), 81.8°(0.22), 83.2°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-18731 | 5.56 5.56 4.44
90 90 120
Ir 0.167 0.333 0.250
Ir 0.833 0.667 0.750
Ir 0.833 0.167 0.750
Ir 0.667 0.833 0.250
Ir 0.167 0.833 0.250
Ir 0.333 0.167 0.750
W 0.667 0.333 0.250
W 0.333 0.667 0.750 |
Below is a description of a material. | The chemical formula is: Ce3Be.
The XRD pattern shows main peaks at: 19.6°(0.3), 27.9°(0.25), 34.3°(1.0), 39.8°(0.48), 44.8°(0.14), 49.3°(0.11), 57.6°(0.34), 61.4°(0.06), 68.8°(0.39), 72.3°(0.11), 79.2°(0.05), 85.9°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-129067 | 4.53 4.53 4.53
90 90 90
Ce 0.000 0.500 0.500
Ce 0.500 0.000 0.500
Ce 0.500 0.500 0.000
Be 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Li2CuO2.
The XRD pattern shows main peaks at: 17.3°(1.0), 28.8°(0.4), 30.1°(0.75), 34.6°(0.15), 37.4°(0.3), 40.4°(0.49), 47.4°(0.28), 51.0°(0.06), 52.5°(0.29), 53.5°(0.1), 54.8°(0.22), 58.1°(0.09), 60.2°(0.06), 61.3°(0.13), 62.1°(0.11), 65.5°(0.08), 71.2°(0.11), 73.8°(0.1).
Generate atomic stru... | JVASP-107780 | 3.49 3.49 5.27
78 78 48
Li 0.828 0.828 0.645
Li 0.172 0.172 0.355
Cu 0.500 0.500 -0.000
O 0.893 0.893 0.259
O 0.107 0.107 0.741 |
Below is a description of a material. | The chemical formula is: KSr3.
The XRD pattern shows main peaks at: 16.4°(0.07), 25.4°(1.0), 29.1°(0.19), 29.6°(0.34), 42.0°(0.27), 42.4°(0.13), 49.4°(0.17), 50.1°(0.32), 52.3°(0.13), 67.1°(0.13), 67.7°(0.06), 68.6°(0.06), 69.5°(0.06), 77.3°(0.09), 83.2°(0.07).
Generate atomic structure description with lattice lengths... | JVASP-38182 | 7.47 7.47 7.47
132 132 69
K 0.000 0.000 0.000
Sr 0.750 0.250 0.500
Sr 0.250 0.750 0.500
Sr 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: Na6ZnSn2.
The XRD pattern shows main peaks at: 9.6°(0.27), 18.6°(0.87), 19.1°(1.0), 20.3°(0.99), 21.5°(0.49), 24.4°(0.11), 31.6°(0.37), 31.9°(0.68), 32.8°(0.75), 33.6°(0.41), 35.2°(0.74), 35.8°(0.64), 36.4°(0.28), 38.3°(0.3), 39.2°(0.66), 43.6°(0.22), 49.8°(0.21), 51.9°(0.2), 55.4°(0.11), 60.1°... | JVASP-86167 | 5.45 5.72 9.31
96 90 118
Na 0.474 0.949 0.280
Na 0.171 0.343 0.595
Na 0.299 0.598 0.936
Na 0.829 0.657 0.405
Na 0.526 0.051 0.720
Na 0.701 0.402 0.064
Zn 0.000 0.000 0.000
Sn 0.149 0.298 0.253
Sn 0.851 0.702 0.747 |
Below is a description of a material. | The chemical formula is: ScXe.
The XRD pattern shows main peaks at: 11.5°(0.5), 23.2°(0.46), 28.6°(0.34), 31.0°(1.0), 37.1°(0.32), 45.9°(0.34), 47.3°(0.06), 50.7°(0.16), 52.2°(0.07), 56.4°(0.25), 60.6°(0.15), 68.0°(0.1), 70.8°(0.09), 71.9°(0.11), 82.9°(0.12).
Generate atomic structure description with lattice lengths, ... | JVASP-129638 | 3.60 3.60 7.68
90 90 120
Sc 0.333 0.667 0.250
Xe 0.667 0.333 0.750 |
Below is a description of a material. | The chemical formula is: Ba2SrSi.
The XRD pattern shows main peaks at: 18.2°(0.05), 21.0°(0.17), 29.9°(1.0), 36.8°(0.05), 42.8°(0.18), 48.1°(0.07), 53.1°(0.38), 62.1°(0.12), 70.5°(0.15), 86.1°(0.2).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-69069 | 5.98 5.98 5.98
60 60 60
Ba 0.250 0.250 0.250
Ba 0.750 0.750 0.750
Sr 0.500 0.500 0.500
Si 0.000 0.000 0.000 |
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