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: TiN.
The XRD pattern shows main peaks at: 34.0°(0.53), 48.9°(1.0), 60.9°(0.12), 71.6°(0.14), 81.7°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-37010 | 2.64 2.64 2.64
90 90 90
Ti 0.000 0.000 0.000
N 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: ThSe3.
The XRD pattern shows main peaks at: 9.2°(0.49), 17.0°(0.32), 18.5°(0.1), 19.0°(0.32), 22.6°(0.12), 26.1°(0.08), 28.1°(1.0), 31.2°(0.12), 33.3°(0.15), 33.7°(0.12), 34.4°(0.08), 37.1°(0.23), 38.1°(0.22), 39.5°(0.07), 40.0°(0.41), 40.6°(0.16), 42.6°(0.3), 43.3°(0.1), 46.2°(0.1), 69.2°(0.09... | JVASP-91556 | 4.24 5.78 9.68
82 90 90
Th 0.750 0.283 0.341
Th 0.250 0.717 0.659
Se 0.750 0.764 0.439
Se 0.250 0.236 0.561
Se 0.750 0.464 0.833
Se 0.250 0.536 0.167
Se 0.750 0.878 0.844
Se 0.250 0.122 0.156 |
Below is a description of a material. | The chemical formula is: ZrI2.
The XRD pattern shows main peaks at: 11.8°(0.37), 23.7°(0.16), 26.6°(0.23), 27.6°(0.08), 28.5°(0.24), 29.5°(1.0), 31.6°(0.2), 32.5°(0.58), 35.4°(0.15), 37.3°(0.09), 39.8°(0.13), 40.6°(0.22), 46.3°(0.2), 48.2°(0.17), 52.7°(0.12), 54.7°(0.09), 57.0°(0.07), 58.8°(0.07), 67.5°(0.08), 75.9°(0.... | JVASP-29630 | 3.77 6.88 14.99
90 90 90
Zr 0.000 0.491 0.007
Zr 0.000 0.884 0.500
Zr 0.500 0.116 0.000
Zr 0.500 0.509 0.507
I 0.000 0.883 0.114
I 0.500 0.779 0.357
I 0.000 0.221 0.857
I 0.500 0.725 0.894
I 0.500 0.117 0.614
I 0.500 0.384 0.151
I 0.000 0.275 0.394
I 0.000 0.616 0.651 |
Below is a description of a material. | The chemical formula is: AuCl.
The XRD pattern shows main peaks at: 23.9°(1.0), 27.0°(0.42), 36.3°(0.77), 42.0°(0.38), 48.8°(0.16), 50.6°(0.47), 55.6°(0.06), 56.7°(0.21), 61.3°(0.17), 72.0°(0.17), 72.9°(0.19), 77.1°(0.09), 83.0°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and ... | JVASP-139742 | 4.31 4.31 3.31
90 90 120
Au 0.000 0.000 0.000
Cl 0.333 0.667 0.000 |
Below is a description of a material. | The chemical formula is: MnV3Cr2.
The XRD pattern shows main peaks at: 44.3°(1.0), 64.5°(0.1), 81.6°(0.19).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-189829 | 2.89 2.89 8.68
90 90 90
Mn 0.500 0.500 0.500
V 0.000 -0.000 -0.000
V -0.000 -0.000 0.665
V 0.000 0.000 0.335
Cr 0.500 0.500 0.832
Cr 0.500 0.500 0.168 |
Below is a description of a material. | The chemical formula is: BaCd2Sb.
The XRD pattern shows main peaks at: 24.6°(0.05), 30.0°(0.74), 33.0°(1.0), 43.0°(0.28), 43.9°(0.05), 55.2°(0.41), 60.8°(0.12), 62.4°(0.09), 69.3°(0.08), 70.8°(0.12), 72.4°(0.09), 88.1°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types... | JVASP-65716 | 4.21 4.21 7.09
90 90 90
Ba 0.500 0.500 0.500
Cd 0.000 0.000 0.791
Cd 0.000 0.000 0.209
Sb 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: LiBeH3.
The XRD pattern shows main peaks at: 22.0°(0.08), 29.9°(0.2), 31.0°(0.25), 32.6°(1.0), 33.7°(0.12), 34.5°(0.31), 38.6°(0.16), 40.6°(0.36), 41.3°(0.27), 42.6°(0.1), 43.9°(0.07), 45.9°(0.06), 48.7°(0.13), 49.5°(0.1), 63.1°(0.28), 67.1°(0.07), 77.0°(0.11), 78.6°(0.06), 83.9°(0.06), 89.3°(0... | JVASP-38743 | 4.74 5.98 5.98
94 104 75
Li 0.250 0.101 0.101
Li 0.750 0.281 0.281
Li 0.250 0.719 0.719
Li 0.750 0.899 0.899
Be 0.269 0.626 0.200
Be 0.769 0.800 0.374
Be 0.231 0.200 0.626
Be 0.731 0.374 0.800
H 0.339 0.019 0.790
H 0.943 0.357 0.652
H 0.443 0.348 0.643
H 0.843 0.874 0.608
H 0.157 0.126 0.392
H 0.343 0.392 0.126
H 0.057... |
Below is a description of a material. | The chemical formula is: PaZn3.
The XRD pattern shows main peaks at: 16.2°(0.07), 26.2°(0.41), 28.3°(0.22), 32.8°(0.26), 38.9°(1.0), 41.4°(0.18), 43.8°(0.08), 48.8°(0.09), 50.9°(0.09), 53.8°(0.13), 58.5°(0.18), 61.9°(0.07), 65.2°(0.1), 72.5°(0.13), 73.9°(0.15), 74.2°(0.17), 79.6°(0.07).
Generate atomic structure descri... | JVASP-91995 | 6.31 6.31 4.36
90 90 120
Pa 0.333 0.667 0.750
Pa 0.667 0.333 0.250
Zn 0.149 0.851 0.250
Zn 0.851 0.702 0.750
Zn 0.298 0.149 0.750
Zn 0.851 0.149 0.750
Zn 0.149 0.298 0.250
Zn 0.702 0.851 0.250 |
Below is a description of a material. | The chemical formula is: BrF3.
The XRD pattern shows main peaks at: 21.4°(0.92), 22.3°(0.62), 24.1°(1.0), 24.8°(0.63), 30.8°(0.87), 31.1°(0.59), 34.0°(0.65), 35.2°(0.26), 41.3°(0.4), 45.5°(0.26), 46.8°(0.26), 48.1°(0.17), 48.6°(0.28), 51.8°(0.25), 55.1°(0.16), 56.0°(0.12), 57.7°(0.12), 58.4°(0.14), 67.2°(0.16), 72.2°(0... | JVASP-134248 | 4.99 4.30 5.37
136 69 123
Br 0.916 0.962 0.092
F 0.673 0.867 0.827
F 0.111 0.012 0.365
F 0.538 0.684 0.220 |
Below is a description of a material. | The chemical formula is: ArBa.
The XRD pattern shows main peaks at: 18.0°(0.31), 25.6°(1.0), 31.5°(0.11), 36.5°(0.19), 41.0°(0.17), 45.1°(0.4), 52.6°(0.13), 56.0°(0.08), 59.4°(0.17), 62.6°(0.05), 71.7°(0.18), 83.3°(0.1), 88.9°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and at... | JVASP-128856 | 4.92 4.92 4.92
90 90 90
Ar 0.000 0.000 0.000
Ba 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: MgAlF.
The XRD pattern shows main peaks at: 12.8°(0.14), 25.7°(0.14), 30.8°(1.0), 39.0°(0.09), 40.6°(0.16), 44.1°(0.31), 50.5°(0.15), 51.8°(0.09), 52.9°(0.07), 60.4°(0.07), 62.5°(0.15), 64.2°(0.1), 71.3°(0.1), 72.9°(0.14), 78.8°(0.06), 87.8°(0.06).
Generate atomic structure description with lat... | JVASP-139090 | 2.90 2.90 6.93
90 90 90
Mg 0.000 0.000 0.532
Al 0.000 0.000 -0.014
F 0.000 0.000 0.247 |
Below is a description of a material. | The chemical formula is: YBePb.
The XRD pattern shows main peaks at: 21.1°(0.1), 24.3°(0.45), 32.4°(1.0), 42.7°(0.33), 48.1°(0.08), 49.9°(0.15), 54.6°(0.24), 62.2°(0.21), 67.7°(0.08), 71.7°(0.22), 78.2°(0.06), 83.5°(0.07), 87.5°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and ... | JVASP-66949 | 4.23 4.23 4.21
90 90 119
Y 0.333 0.667 0.667
Be 0.000 0.000 0.167
Pb 0.667 0.333 0.167 |
Below is a description of a material. | The chemical formula is: Ba2H.
The XRD pattern shows main peaks at: 22.4°(0.61), 23.1°(1.0), 32.4°(0.91), 32.9°(0.43), 40.1°(0.48), 45.8°(0.09), 47.2°(0.1), 51.9°(0.23), 53.1°(0.19), 57.5°(0.18), 58.4°(0.27), 67.8°(0.08), 68.9°(0.05), 72.7°(0.15), 73.5°(0.08), 76.2°(0.07), 80.8°(0.07), 83.0°(0.07), 86.7°(0.06).
Generat... | JVASP-135866 | 3.85 3.96 7.72
90 90 90
Ba -0.033 0.000 0.762
Ba -0.033 0.000 0.238
H 0.467 0.000 0.000 |
Below is a description of a material. | The chemical formula is: K2CoH6.
The XRD pattern shows main peaks at: 19.3°(0.5), 31.8°(1.0), 37.5°(0.24), 45.6°(0.18), 50.0°(0.08), 56.7°(0.33), 66.5°(0.1), 75.6°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-157660 | 5.63 5.63 5.63
60 60 60
K 0.250 0.250 0.250
K 0.750 0.750 0.750
Co 0.000 0.000 0.000
H 0.804 0.196 0.196
H 0.196 0.804 0.196
H 0.804 0.804 0.196
H 0.804 0.196 0.804
H 0.196 0.804 0.804
H 0.196 0.196 0.804 |
Below is a description of a material. | The chemical formula is: Sr2Ge2Pb.
The XRD pattern shows main peaks at: 19.1°(0.16), 22.6°(0.12), 27.9°(0.19), 29.8°(1.0), 30.1°(0.64), 34.8°(0.1), 36.5°(0.44), 38.8°(0.25), 41.5°(0.2), 44.6°(0.17), 48.5°(0.1), 51.0°(0.09), 54.3°(0.27), 54.7°(0.24), 60.6°(0.13), 61.9°(0.1), 64.8°(0.14), 73.0°(0.08), 82.2°(0.08), 89.6°(... | JVASP-92530 | 4.07 4.64 8.00
90 104 90
Sr 0.369 0.500 0.737
Sr 0.631 0.500 0.263
Ge 0.201 0.000 0.401
Ge 0.799 0.000 0.599
Pb 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: SrMoO3.
The XRD pattern shows main peaks at: 31.7°(1.0), 45.5°(0.28), 56.5°(0.37), 66.2°(0.17), 75.4°(0.12), 84.0°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-100232 | 5.65 5.65 5.65
120 120 89
Sr 0.250 0.750 0.500
Sr 0.750 0.250 0.500
Mo 0.000 0.000 0.000
Mo 0.500 0.500 -0.000
O 0.233 0.267 0.500
O 0.267 0.767 0.034
O 0.733 0.233 0.966
O 0.767 0.733 0.500
O 0.250 0.250 -0.000
O 0.750 0.750 0.000 |
Below is a description of a material. | The chemical formula is: SiPd3.
The XRD pattern shows main peaks at: 32.8°(0.45), 35.3°(0.37), 37.1°(0.4), 39.2°(1.0), 41.3°(0.38), 42.5°(0.17), 42.8°(0.36), 44.3°(0.31), 46.3°(0.17), 47.8°(0.33), 50.4°(0.24), 59.5°(0.1), 66.2°(0.11), 67.2°(0.1), 70.9°(0.25), 72.3°(0.21), 73.5°(0.13), 77.2°(0.08), 83.5°(0.08), 85.7°(0.... | JVASP-153321 | 5.34 5.78 7.60
90 90 90
Si 0.527 0.398 0.750
Si 0.027 0.102 0.250
Si 0.473 0.602 0.250
Si 0.973 0.898 0.750
Pd 0.820 0.181 0.949
Pd 0.320 0.319 0.051
Pd 0.180 0.819 0.449
Pd 0.680 0.681 0.551
Pd 0.180 0.819 0.051
Pd 0.680 0.681 0.949
Pd 0.820 0.181 0.551
Pd 0.320 0.319 0.449
Pd 0.405 0.004 0.750
Pd 0.905 0.496 0.250
Pd... |
Below is a description of a material. | The chemical formula is: Ta2TcRu.
The XRD pattern shows main peaks at: 28.1°(0.1), 40.1°(1.0), 58.0°(0.14), 72.9°(0.32), 86.7°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-188564 | 3.18 3.18 6.34
90 90 90
Ru 0.500 0.500 0.750
Tc 0.500 0.500 0.250
Ta -0.000 -0.000 0.004
Ta 0.000 0.000 0.496 |
Below is a description of a material. | The chemical formula is: HfB.
The XRD pattern shows main peaks at: 32.0°(1.0), 37.2°(0.64), 53.6°(0.46), 63.8°(0.48), 67.0°(0.16), 79.2°(0.08), 88.0°(0.21).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-14667 | 3.42 3.42 3.42
60 60 60
Hf 0.500 0.500 0.500
B 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: PrSi2.
The XRD pattern shows main peaks at: 21.7°(0.38), 25.4°(0.19), 28.3°(0.48), 32.2°(1.0), 38.4°(0.41), 42.1°(0.3), 49.9°(0.13), 50.3°(0.18), 58.3°(0.24), 61.1°(0.11), 70.8°(0.2).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-18460 | 4.29 4.29 7.63
106 106 90
Pr 0.875 0.625 0.250
Pr 0.125 0.375 0.750
Si 0.710 0.960 0.919
Si 0.460 0.210 0.419
Si 0.540 0.790 0.581
Si 0.290 0.040 0.081 |
Below is a description of a material. | The chemical formula is: RbBrCl.
The XRD pattern shows main peaks at: 12.2°(1.0), 17.3°(0.45), 24.6°(0.21), 27.6°(0.3), 31.2°(0.05), 33.6°(0.17), 35.1°(0.08), 35.9°(0.14), 37.3°(0.07), 39.4°(0.11), 40.1°(0.1), 42.1°(0.18), 45.2°(0.08), 47.6°(0.06), 49.4°(0.06), 51.1°(0.1), 55.9°(0.07), 62.0°(0.05), 73.3°(0.05).
Generat... | JVASP-115685 | 7.23 7.23 8.60
90 90 90
Rb 0.000 0.000 0.000
Br 0.000 0.000 0.354
Cl 0.000 0.000 0.666 |
Below is a description of a material. | The chemical formula is: CeCdAsO.
The XRD pattern shows main peaks at: 19.2°(0.07), 29.0°(1.0), 30.5°(0.08), 32.1°(0.64), 36.4°(0.86), 43.7°(0.51), 49.4°(0.11), 50.4°(0.28), 53.3°(0.41), 54.4°(0.07), 58.2°(0.15), 63.6°(0.16), 68.1°(0.15), 71.4°(0.1), 72.3°(0.06), 73.0°(0.12), 75.5°(0.17), 84.5°(0.09), 85.2°(0.13), 87.6... | JVASP-15961 | 4.14 4.14 9.23
90 90 90
Ce 0.500 0.000 0.873
Ce 0.000 0.500 0.127
Cd 0.500 0.500 0.500
Cd 0.000 0.000 0.500
As 0.000 0.500 0.707
As 0.500 0.000 0.293
O 0.500 0.500 0.000
O 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: ZrAl4C4.
The XRD pattern shows main peaks at: 4.0°(1.0), 8.0°(0.13), 31.8°(0.16), 33.1°(0.08), 34.9°(0.15), 37.0°(0.05), 54.7°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-173563 | 3.35 3.35 22.13
90 90 119
Zr 0.667 0.333 0.194
Zr 0.333 0.667 0.316
Al 0.667 0.333 0.710
Al 0.333 0.667 0.800
Al 0.000 -0.000 0.420
Al -0.000 -0.000 0.090
Al 0.000 -0.000 0.607
Al -0.000 0.000 0.904
Al 0.667 0.333 0.523
Al 0.333 0.667 0.988
C -0.000 0.000 0.755
C 0.000 0.000 0.509
C 0.000 -0.000 0.255
C 0.333 0.667 0.8... |
Below is a description of a material. | The chemical formula is: TiBe2V.
The XRD pattern shows main peaks at: 29.7°(1.0), 34.5°(0.35), 42.6°(0.64), 46.2°(0.99), 55.9°(0.31), 61.8°(0.19), 70.1°(0.14), 72.8°(0.17), 80.5°(0.39), 88.2°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-71569 | 3.00 3.00 5.19
90 90 90
Ti 0.500 0.500 0.000
Be 0.000 0.000 0.726
Be 0.000 0.000 0.274
V 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: RbBrO4.
The XRD pattern shows main peaks at: 26.0°(1.0), 31.9°(0.22), 41.7°(0.26), 46.1°(0.18), 53.3°(0.29), 64.0°(0.08), 66.9°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-169322 | 7.88 7.88 7.88
138 138 60
Rb 0.000 0.000 0.000
Rb 0.750 0.250 0.500
Br 0.500 0.500 0.000
Br 0.250 0.750 0.500
O 0.549 0.896 0.807
O 0.661 0.508 0.307
O 0.492 0.799 0.153
O 0.104 0.911 0.653
O 0.258 0.451 0.347
O 0.646 0.339 0.847
O 0.201 0.354 0.693
O 0.089 0.742 0.193 |
Below is a description of a material. | The chemical formula is: LiY2FeC.
The XRD pattern shows main peaks at: 17.8°(0.23), 24.3°(0.21), 25.3°(0.25), 30.3°(0.05), 35.4°(1.0), 36.1°(0.57), 40.6°(0.05), 44.0°(0.17), 49.7°(0.11), 52.0°(0.2), 56.6°(0.06), 58.2°(0.07), 63.0°(0.21), 64.5°(0.34), 74.8°(0.13), 76.7°(0.05), 83.8°(0.08), 87.3°(0.07), 87.8°(0.08).
Gene... | JVASP-191233 | 4.97 4.97 3.67
90 90 90
Y -0.000 0.500 0.000
Y 0.500 -0.000 -0.000
C 0.000 -0.000 -0.000
Fe 0.000 -0.000 0.500
Li 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: TaGe2.
The XRD pattern shows main peaks at: 24.3°(0.31), 33.4°(0.14), 35.8°(0.13), 38.2°(1.0), 39.7°(0.33), 41.5°(0.09), 44.9°(0.56), 54.5°(0.09), 58.8°(0.07), 65.9°(0.18), 66.4°(0.18), 70.6°(0.16), 75.7°(0.14), 80.2°(0.12), 88.6°(0.09), 89.1°(0.2).
Generate atomic structure description with la... | JVASP-15828 | 5.02 5.02 6.81
90 90 119
Ta 0.500 0.500 0.333
Ta 0.500 0.000 0.000
Ta 0.000 0.500 0.667
Ge 0.165 0.835 0.333
Ge 0.835 0.670 0.000
Ge 0.330 0.165 0.667
Ge 0.670 0.835 0.667
Ge 0.165 0.330 0.000
Ge 0.835 0.165 0.333 |
Below is a description of a material. | The chemical formula is: Cs2PdI6.
The XRD pattern shows main peaks at: 13.6°(0.14), 27.3°(1.0), 31.7°(0.72), 45.4°(0.55), 53.8°(0.43), 56.4°(0.19), 66.1°(0.09), 75.2°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-22650 | 8.00 8.00 8.00
60 60 60
Cs 0.250 0.250 0.250
Cs 0.750 0.750 0.750
Pd 0.000 0.000 0.000
I 0.758 0.758 0.242
I 0.242 0.758 0.758
I 0.242 0.758 0.242
I 0.758 0.242 0.242
I 0.758 0.242 0.758
I 0.242 0.242 0.758 |
Below is a description of a material. | The chemical formula is: RbNa2Bi.
The XRD pattern shows main peaks at: 19.2°(0.26), 22.2°(0.61), 31.5°(1.0), 38.9°(0.16), 45.2°(0.2), 50.9°(0.15), 56.2°(0.29), 65.8°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-80387 | 13.89 9.82 9.82
33 19 19
Rb 0.000 0.000 0.000
Na 0.750 -0.000 -0.000
Na 0.250 0.000 0.000
Bi 0.500 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Ca2PdAu.
The XRD pattern shows main peaks at: 21.6°(0.13), 25.0°(0.44), 35.7°(1.0), 42.1°(0.08), 44.0°(0.13), 51.3°(0.2), 57.9°(0.19), 64.0°(0.37), 75.5°(0.12), 81.0°(0.1), 86.4°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-40977 | 5.04 5.04 5.04
60 60 60
Ca 0.500 0.500 0.500
Ca 0.000 0.000 0.000
Pd 0.750 0.750 0.750
Au 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: K3Pd.
The XRD pattern shows main peaks at: 16.8°(0.25), 23.9°(0.23), 29.4°(1.0), 34.0°(0.54), 38.2°(0.14), 42.0°(0.11), 48.9°(0.36), 52.1°(0.07), 55.1°(0.05), 58.0°(0.38), 60.9°(0.12), 66.4°(0.06), 71.6°(0.05), 79.2°(0.15), 81.7°(0.15).
Generate atomic structure description with lattice lengths... | JVASP-125872 | 5.27 5.27 5.27
90 90 90
K 0.000 0.500 0.500
K 0.500 0.000 0.500
K 0.500 0.500 0.000
Pd 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: MgBiP.
The XRD pattern shows main peaks at: 13.7°(1.0), 18.6°(0.41), 19.4°(0.28), 23.2°(0.62), 27.0°(0.26), 27.5°(0.25), 30.9°(0.29), 33.5°(0.3), 36.3°(0.4), 39.3°(0.09), 40.4°(0.14), 42.8°(0.08), 43.9°(0.15), 46.2°(0.11), 47.4°(0.12), 48.4°(0.15), 49.6°(0.15), 54.6°(0.14), 62.2°(0.09), 67.6°(0... | JVASP-134197 | 6.48 6.48 4.76
90 90 90
Mg 0.346 -0.002 0.000
Bi -0.009 -0.112 0.000
P -0.002 0.386 0.000 |
Below is a description of a material. | The chemical formula is: YLuRu2.
The XRD pattern shows main peaks at: 22.9°(0.07), 37.9°(1.0), 54.7°(0.16), 68.4°(0.34), 81.0°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-100258 | 4.75 4.75 4.75
60 60 60
Y 0.000 0.000 0.000
Lu 0.500 0.500 0.500
Ru 0.250 0.250 0.250
Ru 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: YOs2.
The XRD pattern shows main peaks at: 19.3°(0.23), 19.9°(0.17), 21.7°(0.17), 33.7°(0.05), 36.0°(0.39), 39.4°(0.71), 40.4°(1.0), 44.2°(0.34), 45.2°(0.15), 50.1°(0.18), 61.7°(0.13), 64.1°(0.18), 66.3°(0.26), 68.3°(0.12), 70.8°(0.23), 84.8°(0.25).
Generate atomic structure description with la... | JVASP-56569 | 5.32 5.32 8.91
90 90 119
Y 0.333 0.667 0.434
Y 0.667 0.333 0.566
Y 0.667 0.333 0.934
Y 0.333 0.667 0.066
Os 0.171 0.343 0.750
Os 0.171 0.829 0.750
Os 0.343 0.171 0.250
Os 0.829 0.657 0.250
Os 0.657 0.829 0.750
Os 0.000 0.000 0.000
Os 0.829 0.171 0.250
Os 0.000 0.000 0.500 |
Below is a description of a material. | The chemical formula is: ICl.
The XRD pattern shows main peaks at: 20.3°(1.0), 25.1°(0.45), 32.5°(0.61), 35.5°(0.52), 41.2°(0.17), 44.0°(0.5), 48.9°(0.18), 51.5°(0.06), 55.5°(0.14), 55.9°(0.14), 61.8°(0.2), 63.7°(0.09), 64.1°(0.18), 68.0°(0.05), 69.6°(0.14), 79.1°(0.1), 80.6°(0.09), 84.2°(0.09), 86.3°(0.07).
Generate a... | JVASP-135131 | 5.06 5.06 3.55
90 90 119
I 0.000 0.000 0.000
Cl 0.333 0.667 0.000 |
Below is a description of a material. | The chemical formula is: CuNO2.
The XRD pattern shows main peaks at: 25.1°(0.33), 30.8°(1.0), 31.8°(0.17), 32.9°(0.07), 39.3°(0.26), 46.4°(0.43), 50.8°(0.3), 51.4°(0.11), 52.7°(0.15), 54.2°(0.11), 60.6°(0.07), 63.0°(0.05), 68.9°(0.07), 70.6°(0.08), 76.2°(0.11), 77.9°(0.06), 79.0°(0.08).
Generate atomic structure descri... | JVASP-114255 | 4.00 4.00 4.00
129 90 110
Cu 0.042 0.042 0.000
N 0.625 0.625 0.000
O 0.657 0.467 0.190
O 0.277 0.467 0.810 |
Below is a description of a material. | The chemical formula is: VS.
The XRD pattern shows main peaks at: 35.4°(1.0), 43.2°(0.93), 54.2°(0.27), 57.3°(0.13), 57.9°(0.36), 69.8°(0.12), 75.0°(0.17), 82.9°(0.07), 83.4°(0.07), 86.0°(0.24).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-19626 | 3.18 3.18 6.43
90 90 119
V 0.667 0.333 0.750
V 0.333 0.667 0.250
S 0.000 0.000 0.000
S 0.000 0.000 0.500 |
Below is a description of a material. | The chemical formula is: NdSi2Rh2.
The XRD pattern shows main peaks at: 17.4°(0.06), 23.3°(0.24), 34.2°(0.28), 35.5°(1.0), 44.0°(0.32), 50.0°(0.09), 57.6°(0.16), 63.4°(0.16), 63.9°(0.12), 75.3°(0.24).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-15249 | 4.12 4.12 5.86
110 110 90
Nd 0.000 0.000 0.000
Si 0.625 0.625 0.250
Si 0.375 0.375 0.750
Rh 0.250 0.750 0.500
Rh 0.750 0.250 0.500 |
Below is a description of a material. | The chemical formula is: TaO3.
The XRD pattern shows main peaks at: 22.5°(1.0), 32.0°(0.57), 39.5°(0.13), 45.9°(0.2), 51.7°(0.41), 57.0°(0.23), 66.9°(0.13), 71.6°(0.14), 76.1°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-35945 | 6.85 6.85 6.85
109 109 109
Ta -0.000 0.500 0.000
Ta 0.000 -0.000 0.500
Ta 0.500 0.500 0.500
Ta 0.500 0.000 0.000
O 0.250 -0.000 0.750
O 0.000 0.250 0.750
O 0.250 0.500 0.250
O 0.250 0.750 0.000
O 0.500 0.750 0.750
O 0.250 0.250 0.500
O 0.750 0.750 0.500
O 0.500 0.250 0.250
O 0.750 0.250 -0.000
O 0.750 0.500 0.750
O -0.... |
Below is a description of a material. | The chemical formula is: CrI2.
The XRD pattern shows main peaks at: 13.3°(0.12), 26.7°(0.76), 31.0°(1.0), 44.4°(0.7), 52.6°(0.36), 55.1°(0.24), 64.6°(0.11), 71.2°(0.12), 73.3°(0.29), 81.7°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-148745 | 4.08 4.08 7.08
73 73 60
Cr 0.500 0.500 0.000
I 0.248 0.248 0.756
I 0.752 0.752 0.244 |
Below is a description of a material. | The chemical formula is: YbB2.
The XRD pattern shows main peaks at: 22.0°(0.59), 32.4°(0.74), 39.6°(1.0), 44.9°(0.14), 56.5°(0.33), 57.9°(0.18), 62.7°(0.22), 67.9°(0.1), 72.4°(0.18), 76.1°(0.18), 79.2°(0.15), 85.2°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-15901 | 3.19 3.19 4.04
90 90 120
Yb 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: BaCd.
The XRD pattern shows main peaks at: 30.0°(1.0), 42.9°(0.19), 53.2°(0.41), 62.3°(0.12), 70.6°(0.16), 86.3°(0.2).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-14761 | 4.22 4.22 4.22
90 90 90
Ba 0.000 0.000 0.000
Cd 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: LiMoO.
The XRD pattern shows main peaks at: 16.0°(1.0), 32.3°(0.15), 34.2°(0.27), 34.5°(0.26), 38.3°(0.2), 41.5°(0.24), 48.0°(0.11), 49.4°(0.24), 53.5°(0.1), 55.0°(0.21), 61.6°(0.06), 65.3°(0.1), 87.4°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and at... | JVASP-114329 | 5.70 5.70 2.60
90 90 152
Li 0.288 0.046 0.000
Mo 0.038 0.295 0.000
O 0.674 0.659 0.000 |
Below is a description of a material. | The chemical formula is: LiSe3.
The XRD pattern shows main peaks at: 24.9°(0.21), 25.5°(1.0), 28.4°(0.2), 30.4°(0.96), 38.6°(0.51), 41.5°(0.46), 42.0°(0.22), 45.0°(0.09), 47.3°(0.13), 47.8°(0.08), 52.4°(0.24), 54.8°(0.11), 55.6°(0.11), 59.7°(0.12), 63.9°(0.11), 69.0°(0.07).
Generate atomic structure description with la... | JVASP-116312 | 4.42 4.03 5.84
90 81 117
Li 0.274 0.641 0.654
Se -0.039 -0.029 0.453
Se 0.270 0.477 0.155
Se 0.583 0.282 0.859 |
Below is a description of a material. | The chemical formula is: Ba4NaRh.
The XRD pattern shows main peaks at: 15.3°(0.38), 25.2°(0.1), 29.6°(1.0), 31.0°(0.66), 35.9°(0.18), 39.3°(0.11), 47.2°(0.36), 51.7°(0.35), 54.3°(0.09), 60.7°(0.12), 61.5°(0.28), 66.8°(0.05), 72.6°(0.23), 76.2°(0.05), 83.8°(0.07), 84.5°(0.05).
Generate atomic structure description with ... | JVASP-64428 | 7.07 7.07 7.07
60 60 60
Ba 0.120 0.627 0.627
Ba 0.627 0.627 0.627
Ba 0.627 0.120 0.627
Ba 0.627 0.627 0.120
Na 0.250 0.250 0.250
Rh 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Ba3La.
The XRD pattern shows main peaks at: 26.2°(1.0), 30.4°(0.52), 43.5°(0.39), 51.5°(0.48), 54.0°(0.13), 63.2°(0.06), 69.6°(0.18), 71.7°(0.18), 79.8°(0.13), 85.8°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-107645 | 5.89 5.89 5.89
90 90 90
Ba 0.000 0.500 0.500
Ba 0.500 0.000 0.500
Ba 0.500 0.500 0.000
La 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Rb2NiF6.
The XRD pattern shows main peaks at: 18.3°(0.47), 21.1°(0.1), 30.1°(1.0), 37.1°(0.39), 43.1°(0.47), 53.4°(0.35), 62.5°(0.26), 70.9°(0.19).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-22586 | 5.94 5.94 5.94
60 60 60
Rb 0.750 0.750 0.750
Rb 0.250 0.250 0.250
Ni 0.000 0.000 0.000
F 0.216 0.784 0.784
F 0.216 0.784 0.216
F 0.784 0.216 0.784
F 0.784 0.216 0.216
F 0.784 0.784 0.216
F 0.216 0.216 0.784 |
Below is a description of a material. | The chemical formula is: BaNiF4.
The XRD pattern shows main peaks at: 19.7°(0.23), 24.8°(0.44), 26.8°(1.0), 28.2°(0.22), 29.3°(0.34), 30.9°(0.3), 32.2°(0.39), 38.2°(0.13), 40.0°(0.32), 41.1°(0.37), 42.3°(0.36), 42.8°(0.34), 49.5°(0.14), 50.1°(0.14), 52.5°(0.16), 53.6°(0.2), 55.8°(0.1), 59.4°(0.15), 60.0°(0.19), 70.8°(0... | JVASP-151129 | 7.47 7.47 5.79
90 90 147
Ba 0.142 0.858 0.753
Ba 0.858 0.142 0.253
Ni 0.410 0.590 0.721
Ni 0.590 0.410 0.221
F 0.300 0.700 0.514
F 0.700 0.300 0.014
F 0.328 0.672 0.989
F 0.672 0.328 0.489
F 0.526 0.474 0.906
F 0.474 0.526 0.406
F 0.923 0.077 0.719
F 0.077 0.923 0.219 |
Below is a description of a material. | The chemical formula is: BaSr2Ga.
The XRD pattern shows main peaks at: 29.7°(1.0), 42.4°(0.2), 52.6°(0.44), 61.6°(0.13), 69.8°(0.19), 85.2°(0.22).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-64631 | 6.03 6.03 6.03
60 60 60
Ba 0.500 0.500 0.500
Sr 0.000 0.000 0.000
Sr 0.750 0.750 0.750
Ga 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: BeInIr2.
The XRD pattern shows main peaks at: 21.9°(0.06), 25.7°(0.49), 40.0°(1.0), 40.8°(0.15), 44.7°(0.19), 47.4°(0.31), 54.7°(0.12), 64.3°(0.08), 67.2°(0.21), 69.3°(0.09), 79.1°(0.13), 83.1°(0.24), 86.3°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates a... | JVASP-68238 | 4.88 4.88 4.88
133 133 67
Be 0.500 0.500 0.000
In 0.750 0.250 0.500
Ir 0.000 0.000 0.000
Ir 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: Hf3SiMo8.
The XRD pattern shows main peaks at: 10.3°(0.1), 21.9°(0.15), 28.4°(0.1), 33.7°(0.38), 37.0°(0.71), 39.1°(0.13), 39.9°(1.0), 40.5°(0.71), 42.2°(0.15), 44.6°(0.1), 46.8°(0.06), 62.4°(0.27), 64.4°(0.24), 68.2°(0.3), 70.8°(0.26), 82.7°(0.15), 84.9°(0.06), 86.0°(0.12).
Generate atomic str... | JVASP-145403 | 5.32 5.32 8.56
90 90 120
Hf 0.000 0.000 0.442
Hf 0.000 0.000 0.060
Hf 0.667 0.333 0.938
Si 0.667 0.333 0.573
Mo 0.333 0.667 0.497
Mo 0.333 0.667 0.997
Mo 0.162 0.838 0.745
Mo 0.675 0.838 0.745
Mo 0.162 0.325 0.745
Mo 0.504 0.496 0.253
Mo 0.991 0.496 0.253
Mo 0.504 0.009 0.253 |
Below is a description of a material. | The chemical formula is: Al3Pd2Au.
The XRD pattern shows main peaks at: 9.4°(0.14), 28.7°(0.52), 30.3°(0.05), 34.6°(0.06), 40.9°(1.0), 50.7°(0.2), 59.4°(0.14), 67.2°(0.14), 74.6°(0.25).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-189372 | 3.11 3.11 9.39
90 90 90
Au 0.500 0.500 0.500
Al 0.000 0.000 0.000
Al -0.000 0.000 0.680
Al 0.000 -0.000 0.320
Pd 0.500 0.500 0.838
Pd 0.500 0.500 0.162 |
Below is a description of a material. | The chemical formula is: NdRu3.
The XRD pattern shows main peaks at: 27.8°(0.12), 34.3°(0.91), 40.1°(1.0), 44.9°(0.43), 49.5°(0.14), 57.4°(0.11), 61.7°(0.3), 69.2°(0.11), 72.3°(0.34), 72.9°(0.15), 83.1°(0.13), 86.6°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-79534 | 3.21 5.19 5.19
120 90 90
Nd 0.000 0.000 0.000
Ru 0.500 0.500 -0.000
Ru 0.500 0.500 0.500
Ru 0.500 -0.000 0.500 |
Below is a description of a material. | The chemical formula is: Rb2SbCl6.
The XRD pattern shows main peaks at: 15.2°(0.57), 24.9°(0.95), 29.3°(0.16), 30.6°(0.57), 35.5°(1.0), 43.8°(0.41), 51.1°(0.62), 63.7°(0.21), 75.1°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-102309 | 7.15 7.15 7.15
60 60 60
Rb 0.250 0.250 0.250
Rb 0.750 0.750 0.750
Sb 0.000 0.000 0.000
Cl 0.749 0.251 0.251
Cl 0.251 0.749 0.749
Cl 0.251 0.749 0.251
Cl 0.749 0.251 0.749
Cl 0.251 0.251 0.749
Cl 0.749 0.749 0.251 |
Below is a description of a material. | The chemical formula is: HO2.
The XRD pattern shows main peaks at: 28.0°(1.0), 32.8°(0.65), 34.2°(0.46), 38.6°(0.58), 39.1°(0.34), 44.1°(0.43), 49.9°(0.11), 59.4°(0.14), 60.6°(0.1), 62.1°(0.07), 70.8°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-135044 | 3.13 3.11 3.31
74 83 60
H 0.108 0.976 0.001
O 0.211 0.637 0.890
O 0.971 0.408 0.143 |
Below is a description of a material. | The chemical formula is: Na3S2.
The XRD pattern shows main peaks at: 17.4°(0.96), 23.1°(0.27), 24.7°(0.33), 26.2°(0.26), 32.9°(1.0), 35.2°(0.22), 37.5°(0.45), 42.5°(0.53), 47.3°(0.34), 49.0°(0.29), 50.7°(0.27), 54.8°(0.11), 60.3°(0.15), 65.5°(0.15), 69.1°(0.1), 71.8°(0.12), 78.7°(0.13), 81.3°(0.08), 84.6°(0.09), 89.2°(... | JVASP-180207 | 3.85 3.85 10.20
90 90 90
Na 0.500 0.500 0.195
Na -0.000 0.000 0.500
Na 0.500 0.500 0.805
S -0.000 0.000 0.754
S 0.000 -0.000 0.246 |
Below is a description of a material. | The chemical formula is: Li3ErBr6.
The XRD pattern shows main peaks at: 13.9°(0.18), 15.0°(0.1), 15.7°(0.21), 17.7°(0.14), 20.5°(0.12), 24.0°(0.08), 26.6°(0.1), 27.8°(0.4), 32.3°(1.0), 46.2°(0.38), 57.5°(0.19), 67.6°(0.08), 76.7°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and ... | JVASP-163511 | 13.54 6.81 6.81
119 99 99
Li 0.000 0.323 0.662
Li 0.250 0.164 0.836
Li 0.500 0.338 0.677
Li 0.500 0.662 0.323
Li 0.750 0.836 0.164
Li 1.000 0.677 0.338
Er 0.000 0.000 0.000
Er 0.500 0.000 0.000
Br 0.123 0.751 0.741
Br 0.123 0.413 0.072
Br 0.124 0.083 0.418
Br 0.376 0.582 0.917
Br 0.377 0.928 0.587
Br 0.377 0.259 0.249
... |
Below is a description of a material. | The chemical formula is: VS.
The XRD pattern shows main peaks at: 32.4°(0.35), 35.6°(0.36), 44.2°(1.0), 56.0°(0.08), 57.8°(0.32), 60.6°(0.09), 70.4°(0.06), 75.5°(0.18), 88.6°(0.19).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-79311 | 6.12 3.19 3.19
60 90 90
V 0.000 0.000 0.000
V 0.500 0.000 0.000
S 0.250 0.333 0.333
S 0.750 0.667 0.667 |
Below is a description of a material. | The chemical formula is: Cr2S5.
The XRD pattern shows main peaks at: 13.0°(0.46), 15.4°(1.0), 16.7°(0.3), 22.3°(0.77), 25.0°(0.26), 26.3°(0.51), 29.1°(0.14), 31.0°(0.33), 33.0°(0.28), 37.5°(0.17), 37.9°(0.13), 43.3°(0.34), 46.2°(0.09), 51.3°(0.07), 52.4°(0.11), 54.3°(0.11), 56.5°(0.34), 59.5°(0.07), 72.5°(0.07), 89.6°(... | JVASP-30551 | 4.18 5.76 13.61
89 90 90
Cr 0.019 0.120 0.149
Cr 0.519 0.880 0.351
Cr 0.519 0.880 0.649
Cr 0.019 0.120 0.851
S 0.519 0.976 0.183
S 0.019 0.024 0.317
S 0.019 0.024 0.683
S 0.519 0.976 0.817
S 0.019 0.465 0.853
S 0.519 0.535 0.647
S 0.519 0.535 0.353
S 0.519 0.002 0.500
S 0.019 -0.002 0.000
S 0.019 0.465 0.147 |
Below is a description of a material. | The chemical formula is: Tm2C.
The XRD pattern shows main peaks at: 15.0°(0.09), 30.2°(0.35), 31.0°(1.0), 35.7°(0.81), 50.8°(0.26), 51.8°(0.29), 60.3°(0.12), 61.2°(0.27), 61.6°(0.16), 64.5°(0.15), 75.5°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-103674 | 6.26 6.26 6.26
32 32 32
Tm 0.241 0.241 0.241
Tm 0.759 0.759 0.759
C 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Nb6AlGe.
The XRD pattern shows main peaks at: 24.2°(0.1), 34.5°(0.2), 38.8°(1.0), 42.6°(0.45), 61.9°(0.13), 64.7°(0.23), 67.5°(0.22), 72.8°(0.12), 83.2°(0.06), 85.7°(0.21), 88.2°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-108090 | 5.19 5.19 5.19
90 90 90
Nb 0.000 0.500 0.749
Nb 0.500 0.251 0.000
Nb 0.749 0.000 0.500
Nb 0.000 0.500 0.251
Nb 0.500 0.749 0.000
Nb 0.251 0.000 0.500
Al 0.500 0.500 0.500
Ge 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: HfTcMoW.
The XRD pattern shows main peaks at: 27.8°(0.1), 39.8°(1.0), 57.5°(0.18), 72.2°(0.36), 85.7°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-192819 | 4.53 4.53 4.53
60 59 60
Mo 0.750 0.750 0.750
Hf 0.500 0.500 0.500
Tc 0.250 0.250 0.250
W -0.000 -0.000 -0.000 |
Below is a description of a material. | The chemical formula is: TmAlCo4.
The XRD pattern shows main peaks at: 20.6°(0.16), 31.0°(0.91), 36.0°(0.35), 41.8°(0.58), 43.2°(1.0), 47.0°(0.28), 60.6°(0.15), 61.6°(0.24), 64.7°(0.35), 69.7°(0.24), 76.4°(0.16), 84.6°(0.23).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types... | JVASP-99911 | 4.99 4.99 3.87
90 90 120
Tm 0.333 0.667 0.000
Al 0.667 0.333 0.000
Co 0.000 0.000 0.000
Co 0.836 0.673 0.500
Co 0.327 0.164 0.500
Co 0.836 0.164 0.500 |
Below is a description of a material. | The chemical formula is: TbRb2CuCl6.
The XRD pattern shows main peaks at: 14.9°(0.14), 17.2°(0.2), 24.4°(1.0), 30.1°(0.1), 34.8°(0.72), 43.0°(0.49), 50.1°(0.52), 56.5°(0.23), 62.5°(0.16), 73.6°(0.07), 84.0°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-99415 | 7.28 7.28 7.28
60 60 60
Tb 0.000 0.000 0.000
Rb 0.750 0.750 0.750
Rb 0.250 0.250 0.250
Cu 0.500 0.500 0.500
Cl 0.745 0.255 0.255
Cl 0.255 0.255 0.745
Cl 0.255 0.745 0.745
Cl 0.255 0.745 0.255
Cl 0.745 0.255 0.745
Cl 0.745 0.745 0.255 |
Below is a description of a material. | The chemical formula is: FeOF.
The XRD pattern shows main peaks at: 24.6°(1.0), 28.3°(0.78), 36.6°(0.82), 37.9°(0.15), 40.0°(0.18), 42.6°(0.12), 50.4°(0.22), 51.5°(0.6), 55.7°(0.45), 58.7°(0.18), 65.0°(0.12), 67.5°(0.38), 70.6°(0.08), 72.4°(0.08), 80.9°(0.07), 86.5°(0.08), 88.9°(0.07).
Generate atomic structure descrip... | JVASP-107590 | 4.80 4.80 2.87
90 90 98
Fe 0.000 0.000 0.000
Fe 0.500 0.500 0.500
O 0.305 0.305 0.000
O 0.695 0.695 0.000
F 0.199 0.801 0.500
F 0.801 0.199 0.500 |
Below is a description of a material. | The chemical formula is: ZnIn2GeAs4.
The XRD pattern shows main peaks at: 32.0°(1.0), 45.9°(0.7), 57.0°(0.25), 66.9°(0.11), 76.1°(0.29), 84.9°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-100630 | 6.85 6.85 6.85
131 131 70
Zn 0.000 0.000 0.000
In 0.250 0.750 0.500
In 0.750 0.250 0.500
Ge 0.500 0.500 -0.000
As 0.500 -0.000 0.500
As 0.748 0.748 -0.000
As -0.000 0.500 0.500
As 0.252 0.252 0.000 |
Below is a description of a material. | The chemical formula is: YCdPt2.
The XRD pattern shows main peaks at: 26.3°(0.11), 37.5°(1.0), 54.1°(0.16), 67.6°(0.32), 80.0°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-41624 | 4.80 4.80 4.80
60 60 60
Y 0.750 0.750 0.750
Cd 0.250 0.250 0.250
Pt 0.000 0.000 0.000
Pt 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Hg11I2BrClO4.
The XRD pattern shows main peaks at: 20.6°(0.37), 23.4°(0.4), 25.9°(0.24), 26.4°(0.41), 28.0°(0.85), 29.3°(0.84), 29.7°(0.55), 30.4°(1.0), 30.9°(0.23), 32.8°(0.56), 34.0°(0.24), 34.5°(0.29), 35.4°(0.66), 36.5°(0.24), 37.0°(0.27), 38.0°(0.34), 44.7°(0.24), 49.0°(0.23), 51.0°(0.24),... | JVASP-132938 | 6.63 7.10 10.60
101 94 92
Hg 0.056 0.115 0.660
Hg 0.279 0.678 0.668
Hg 0.126 0.152 0.023
Hg 0.862 0.858 0.981
Hg 0.500 0.001 0.499
Hg 0.719 0.313 0.325
Hg 0.678 0.465 0.121
Hg 0.156 0.646 0.196
Hg 0.847 0.365 0.801
Hg 0.943 0.888 0.339
Hg 0.319 0.535 0.876
I 0.765 0.657 0.596
I 0.236 0.343 0.399
Br 0.498 0.095 0.848
Cl... |
Below is a description of a material. | The chemical formula is: La2Ni.
The XRD pattern shows main peaks at: 15.6°(0.06), 26.3°(0.55), 27.8°(0.16), 28.2°(0.23), 31.0°(1.0), 31.5°(0.18), 35.4°(0.31), 36.2°(0.12), 39.4°(0.29), 45.6°(0.3), 47.4°(0.1), 49.1°(0.24), 50.0°(0.26), 51.3°(0.1), 54.0°(0.19), 54.6°(0.07), 58.4°(0.08), 64.7°(0.12), 66.3°(0.12), 79.3°(0.... | JVASP-183226 | 5.97 4.03 4.04
110 75 104
La 0.248 0.798 0.344
La 0.730 0.346 0.796
Ni 0.989 0.072 0.070 |
Below is a description of a material. | The chemical formula is: LiVN.
The XRD pattern shows main peaks at: 19.6°(1.0), 32.1°(0.4), 37.9°(0.69), 39.9°(0.18), 52.1°(0.18), 57.2°(0.16), 61.1°(0.19), 70.7°(0.09), 71.1°(0.09), 72.0°(0.16), 88.9°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-179513 | 3.22 3.22 4.52
90 90 119
Li -0.000 0.000 0.000
V 0.667 0.333 0.500
N 0.333 0.667 0.500 |
Below is a description of a material. | The chemical formula is: Mg2Sb.
The XRD pattern shows main peaks at: 12.7°(0.87), 25.6°(0.16), 29.2°(0.3), 29.9°(0.5), 32.0°(0.14), 35.1°(1.0), 39.2°(0.08), 44.0°(0.18), 51.8°(0.24), 53.6°(0.13), 58.6°(0.09), 64.1°(0.17), 86.9°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and a... | JVASP-94405 | 3.53 3.53 13.93
90 90 120
Mg 0.333 0.667 0.915
Mg 0.333 0.667 0.585
Mg 0.667 0.333 0.415
Mg 0.667 0.333 0.085
Sb 0.667 0.333 0.750
Sb 0.333 0.667 0.250 |
Below is a description of a material. | The chemical formula is: ScOs2.
The XRD pattern shows main peaks at: 19.6°(0.53), 20.7°(0.34), 22.2°(0.38), 28.7°(0.05), 37.2°(0.31), 40.4°(0.67), 41.3°(1.0), 42.2°(0.32), 45.3°(0.52), 46.9°(0.17), 51.5°(0.32), 53.6°(0.15), 65.6°(0.17), 68.7°(0.25), 70.5°(0.17), 72.4°(0.24), 86.9°(0.12), 87.5°(0.25), 89.7°(0.05).
Gener... | JVASP-56849 | 5.22 5.22 8.57
90 90 120
Sc 0.333 0.667 0.433
Sc 0.667 0.333 0.567
Sc 0.667 0.333 0.933
Sc 0.333 0.667 0.067
Os 0.173 0.346 0.750
Os 0.173 0.827 0.750
Os 0.346 0.173 0.250
Os 0.827 0.654 0.250
Os 0.654 0.827 0.750
Os 0.000 0.000 0.000
Os 0.827 0.173 0.250
Os 0.000 0.000 0.500 |
Below is a description of a material. | The chemical formula is: MnAuO2.
The XRD pattern shows main peaks at: 14.4°(0.49), 29.1°(0.43), 33.9°(0.41), 35.0°(1.0), 39.0°(0.53), 41.8°(0.12), 44.3°(0.08), 48.6°(0.13), 52.5°(0.32), 60.1°(0.22), 61.2°(0.22), 68.1°(0.25), 71.4°(0.11), 74.0°(0.09), 83.8°(0.08).
Generate atomic structure description with lattice lengt... | JVASP-36853 | 3.08 3.08 6.38
76 76 60
Mn 0.500 0.500 0.500
Au 0.000 0.000 0.000
O 0.113 0.113 0.662
O 0.887 0.887 0.338 |
Below is a description of a material. | The chemical formula is: KLiBeF4.
The XRD pattern shows main peaks at: 20.3°(0.23), 22.8°(0.46), 29.0°(0.73), 35.5°(0.24), 37.1°(0.5), 41.4°(1.0), 41.8°(0.36), 46.5°(0.09), 47.9°(0.21), 59.9°(0.12), 63.8°(0.25), 79.2°(0.19).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-21161 | 5.05 5.05 8.65
90 90 120
K 0.000 0.000 0.502
K 0.000 0.000 0.002
Li 0.667 0.333 0.697
Li 0.333 0.667 0.197
Be 0.333 0.667 0.804
Be 0.667 0.333 0.304
F 0.335 0.373 0.749
F 0.962 0.335 0.249
F 0.333 0.667 0.986
F 0.667 0.333 0.486
F 0.038 0.665 0.749
F 0.665 0.627 0.249
F 0.373 0.038 0.249
F 0.627 0.962 0.749 |
Below is a description of a material. | The chemical formula is: CrCd3Te4.
The XRD pattern shows main peaks at: 23.7°(1.0), 39.2°(0.75), 46.4°(0.48), 56.7°(0.13), 62.3°(0.19), 71.1°(0.25), 76.2°(0.14), 84.4°(0.08), 89.2°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-91535 | 6.49 6.49 6.49
90 90 90
Cr 0.000 0.000 0.000
Cd 0.500 0.500 0.000
Cd 0.500 0.000 0.500
Cd 0.000 0.500 0.500
Te 0.760 0.760 0.240
Te 0.760 0.240 0.760
Te 0.240 0.760 0.760
Te 0.240 0.240 0.240 |
Below is a description of a material. | The chemical formula is: VN.
The XRD pattern shows main peaks at: 35.2°(0.51), 50.7°(1.0), 63.2°(0.12), 74.5°(0.14), 85.2°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-36006 | 2.55 2.55 2.55
90 90 90
V 0.000 0.000 0.000
N 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Ba4MnTl.
The XRD pattern shows main peaks at: 15.4°(0.13), 17.8°(0.08), 25.3°(0.24), 29.8°(1.0), 31.1°(0.42), 36.1°(0.05), 44.6°(0.11), 47.5°(0.36), 52.0°(0.31), 61.1°(0.12), 61.8°(0.17), 73.0°(0.23), 76.6°(0.05), 84.3°(0.07).
Generate atomic structure description with lattice lengths, angles, ... | JVASP-64424 | 7.04 7.04 7.04
60 60 60
Ba 0.125 0.625 0.625
Ba 0.625 0.625 0.625
Ba 0.625 0.125 0.625
Ba 0.625 0.625 0.125
Mn 0.250 0.250 0.250
Tl 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Dy3Cu4Ge4.
The XRD pattern shows main peaks at: 23.3°(0.08), 26.8°(0.11), 35.0°(1.0), 36.1°(0.97), 38.7°(0.15), 39.6°(0.11), 43.1°(0.36), 45.3°(0.27), 52.7°(0.08), 55.2°(0.07), 56.6°(0.13), 58.3°(0.12), 59.3°(0.09), 64.3°(0.19), 72.5°(0.06), 74.4°(0.11), 80.6°(0.13).
Generate atomic structure d... | JVASP-12402 | 4.20 6.66 8.01
114 105 90
Dy 0.870 0.870 0.739
Dy 0.130 0.130 0.261
Dy 0.000 0.500 0.000
Cu 0.668 0.858 0.337
Cu 0.332 0.142 0.663
Cu 0.668 0.478 0.337
Cu 0.332 0.522 0.663
Ge 0.783 0.283 0.567
Ge 0.500 0.808 -0.000
Ge 0.500 0.192 0.000
Ge 0.217 0.717 0.433 |
Below is a description of a material. | The chemical formula is: Ni9BiTeS8.
The XRD pattern shows main peaks at: 20.4°(0.45), 24.3°(0.57), 27.2°(0.85), 31.9°(1.0), 35.5°(0.32), 37.6°(0.88), 38.8°(0.78), 48.7°(0.7), 49.7°(0.35), 50.4°(0.77), 52.0°(0.17), 53.0°(0.47), 54.3°(0.15), 58.6°(0.17), 66.8°(0.19), 69.8°(0.14), 71.4°(0.16), 73.5°(0.15), 74.8°(0.28), 82... | JVASP-132988 | 7.34 7.34 5.39
90 90 90
Ni 0.000 0.000 0.500
Ni 0.179 0.500 0.750
Ni 0.821 0.500 0.750
Ni 0.500 0.821 0.750
Ni 0.500 0.179 0.750
Ni 0.821 0.500 0.250
Ni 0.179 0.500 0.250
Ni 0.500 0.179 0.250
Ni 0.500 0.821 0.250
Bi 0.000 0.000 0.000
Te 0.500 0.500 0.500
S 0.314 0.000 0.500
S 0.686 0.000 0.500
S 0.000 0.686 0.500
S 0.0... |
Below is a description of a material. | The chemical formula is: MnBeOs2.
The XRD pattern shows main peaks at: 30.7°(0.65), 44.0°(1.0), 54.7°(0.19), 64.0°(0.16), 72.7°(0.26), 81.0°(0.36).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-158778 | 4.11 4.11 4.11
60 60 60
Mn 0.750 0.750 0.750
Be 0.250 0.250 0.250
Os 0.000 0.000 0.000
Os 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: MgPb.
The XRD pattern shows main peaks at: 20.0°(1.0), 26.6°(0.7), 30.6°(0.25), 32.4°(0.71), 33.0°(0.9), 33.8°(0.24), 34.4°(0.32), 35.3°(0.2), 36.4°(0.79), 40.7°(0.17), 42.2°(0.46), 48.7°(0.2), 52.2°(0.16), 52.6°(0.16), 53.4°(0.2), 54.9°(0.16), 55.8°(0.17), 58.5°(0.23), 62.1°(0.2), 62.7°(0.26).... | JVASP-103615 | 6.00 6.00 5.42
75 75 33
Mg 0.130 0.130 0.686
Mg 0.870 0.870 0.314
Pb 0.382 0.382 0.800
Pb 0.618 0.618 0.200 |
Below is a description of a material. | The chemical formula is: TiSiPt.
The XRD pattern shows main peaks at: 26.1°(1.0), 30.3°(0.19), 43.3°(0.74), 51.3°(0.52), 63.0°(0.13), 69.4°(0.21), 79.5°(0.26), 85.4°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-40819 | 4.18 4.18 4.18
59 60 59
Ti 0.500 0.500 0.500
Si 0.000 0.000 0.000
Pt 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: Ba4YNb.
The XRD pattern shows main peaks at: 15.2°(0.16), 25.0°(0.17), 29.4°(1.0), 30.7°(0.48), 35.6°(0.1), 44.0°(0.07), 46.9°(0.33), 51.3°(0.34), 60.2°(0.12), 61.0°(0.22), 72.0°(0.22), 75.5°(0.05), 83.0°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-64719 | 7.12 7.12 7.12
60 60 60
Ba 0.126 0.625 0.625
Ba 0.625 0.625 0.625
Ba 0.625 0.126 0.625
Ba 0.625 0.625 0.126
Y 0.000 0.000 0.000
Nb 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: ZrNi4Ag.
The XRD pattern shows main peaks at: 37.3°(0.48), 44.0°(1.0), 46.1°(0.28), 67.3°(0.15), 71.9°(0.28), 79.5°(0.24).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-191781 | 4.82 4.82 4.82
60 60 60
Ag -0.000 0.000 -0.000
Ni 0.124 0.625 0.625
Ni 0.625 0.625 0.625
Ni 0.625 0.124 0.625
Ni 0.625 0.625 0.124
Zr 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: TbNiBC.
The XRD pattern shows main peaks at: 27.4°(1.0), 34.4°(0.71), 35.1°(0.22), 35.8°(0.44), 37.2°(0.62), 42.8°(0.47), 50.5°(0.37), 51.0°(0.12), 55.0°(0.19), 58.4°(0.27), 61.2°(0.15), 62.6°(0.23), 63.4°(0.3), 72.9°(0.09), 74.2°(0.11), 77.9°(0.13), 85.2°(0.13), 86.1°(0.11), 88.8°(0.08), 89.7°... | JVASP-91549 | 3.61 3.61 7.53
90 90 90
Tb 0.750 0.750 0.833
Tb 0.250 0.250 0.167
Ni 0.750 0.250 0.500
Ni 0.250 0.750 0.500
B 0.250 0.250 0.645
B 0.750 0.750 0.355
C 0.250 0.250 0.843
C 0.750 0.750 0.157 |
Below is a description of a material. | The chemical formula is: Ni3P.
The XRD pattern shows main peaks at: 36.9°(0.24), 42.4°(1.0), 43.4°(0.23), 44.4°(0.56), 45.9°(0.35), 46.8°(0.12), 47.3°(0.96), 51.4°(0.18), 52.7°(0.18), 53.6°(0.32), 56.2°(0.12), 68.0°(0.07), 75.3°(0.08), 76.0°(0.06), 76.8°(0.27), 77.8°(0.05), 78.9°(0.07), 80.3°(0.14), 82.4°(0.08), 87.3°(... | JVASP-153375 | 6.62 6.62 6.62
96 96 141
Ni 0.685 0.649 0.812
Ni 0.837 0.872 0.188
Ni 0.128 0.315 0.965
Ni 0.351 0.163 0.035
Ni 0.659 0.991 0.602
Ni 0.389 0.056 0.398
Ni 0.944 0.341 0.332
Ni 0.009 0.611 0.668
Ni 0.074 0.023 0.610
Ni 0.413 0.464 0.390
Ni 0.536 0.926 0.949
Ni 0.977 0.587 0.051
P 0.235 0.472 0.667
P 0.805 0.568 0.333
P 0... |
Below is a description of a material. | The chemical formula is: Li2CuSn2.
The XRD pattern shows main peaks at: 24.3°(1.0), 29.9°(0.09), 40.0°(0.53), 40.6°(0.3), 46.7°(0.14), 47.9°(0.33), 58.8°(0.1), 73.5°(0.19).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-167962 | 4.44 4.44 10.23
102 102 89
Li 0.201 0.451 0.401
Li 0.451 0.201 0.901
Li 0.799 0.549 0.599
Li 0.549 0.799 0.099
Cu 0.625 0.375 0.250
Cu 0.375 0.625 0.750
Sn 0.699 0.949 0.397
Sn 0.949 0.699 0.897
Sn 0.301 0.051 0.603
Sn 0.051 0.301 0.103 |
Below is a description of a material. | The chemical formula is: TiFeSi.
The XRD pattern shows main peaks at: 16.4°(0.05), 38.8°(1.0), 42.4°(0.88), 44.5°(0.64), 50.8°(0.13), 52.4°(0.23).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-87082 | 6.23 6.98 7.13
119 115 90
Ti 0.036 0.022 0.545
Ti 0.105 0.555 0.610
Ti 0.917 0.247 0.994
Ti 0.491 0.978 0.455
Ti 0.922 0.753 0.006
Ti 0.496 0.445 0.390
Fe 0.743 0.590 0.247
Fe 0.497 0.844 0.753
Fe 0.251 -0.000 -0.000
Fe 0.251 0.500 -0.000
Fe 0.743 0.156 0.247
Fe 0.497 0.410 0.753
Si 0.828 0.825 0.665
Si 0.475 0.220 0.9... |
Below is a description of a material. | The chemical formula is: ZrZn2.
The XRD pattern shows main peaks at: 34.3°(0.36), 40.4°(1.0), 42.3°(0.33), 65.5°(0.28), 72.2°(0.25).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-19697 | 5.23 5.23 5.23
60 60 60
Zr 0.875 0.875 0.875
Zr 0.125 0.125 0.125
Zn 0.500 0.500 0.500
Zn 0.500 0.500 -0.000
Zn -0.000 0.500 0.500
Zn 0.500 0.000 0.500 |
Below is a description of a material. | The chemical formula is: Sr2NiWO6.
The XRD pattern shows main peaks at: 19.5°(0.31), 22.6°(0.09), 31.9°(1.0), 37.9°(0.13), 45.4°(0.18), 46.2°(0.32), 50.2°(0.05), 56.7°(0.2), 57.3°(0.44), 66.8°(0.2), 67.4°(0.09), 75.3°(0.09), 76.6°(0.13), 85.0°(0.09).
Generate atomic structure description with lattice lengths, angles, c... | JVASP-150587 | 5.60 5.60 5.60
120 120 89
Sr 0.750 0.250 0.500
Sr 0.250 0.750 0.500
Ni 0.500 0.500 0.000
W 0.000 0.000 0.000
O 0.718 0.794 0.513
O 0.282 0.206 0.487
O 0.794 0.282 0.076
O 0.206 0.718 0.924
O 0.243 0.243 0.000
O 0.757 0.757 0.000 |
Below is a description of a material. | The chemical formula is: CdSb.
The XRD pattern shows main peaks at: 28.9°(0.64), 32.0°(1.0), 32.7°(0.48), 43.7°(0.79), 44.2°(0.41), 56.5°(0.09), 57.9°(0.18), 59.9°(0.07), 64.7°(0.12), 66.0°(0.24), 66.9°(0.1), 68.5°(0.05), 69.6°(0.2), 70.0°(0.1), 74.4°(0.16), 76.0°(0.08), 87.0°(0.06), 88.1°(0.1).
Generate atomic structu... | JVASP-110604 | 3.09 3.26 5.48
90 90 90
Cd 0.000 0.000 0.000
Sb 0.000 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Li2MgCd.
The XRD pattern shows main peaks at: 22.9°(1.0), 26.5°(0.33), 37.8°(0.74), 44.7°(0.46), 46.8°(0.09), 54.5°(0.11), 68.3°(0.24).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-108757 | 4.76 4.76 4.76
60 60 59
Li 0.500 0.500 0.500
Li 0.750 0.750 0.750
Mg 0.250 0.250 0.250
Cd 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: GaBO2.
The XRD pattern shows main peaks at: 14.9°(0.53), 30.1°(0.19), 31.4°(1.0), 36.1°(0.32), 39.2°(0.37), 45.9°(0.07), 46.8°(0.28), 51.1°(0.06), 52.7°(0.23), 55.1°(0.13), 60.4°(0.07), 61.9°(0.08), 62.7°(0.14), 65.5°(0.06), 67.7°(0.06), 72.4°(0.1), 86.3°(0.16).
Generate atomic structure descri... | JVASP-135739 | 6.26 6.26 6.26
32 32 32
Ga 0.500 0.500 0.500
B 0.000 0.000 0.000
O 0.929 0.929 0.929
O 0.071 0.071 0.071 |
Below is a description of a material. | The chemical formula is: LiSnS2.
The XRD pattern shows main peaks at: 13.7°(0.82), 27.3°(0.35), 30.7°(1.0), 39.2°(0.78), 42.0°(0.07), 48.2°(0.33), 50.4°(0.19), 50.8°(0.23), 57.1°(0.06), 58.2°(0.18), 63.8°(0.19), 65.8°(0.12), 72.7°(0.08), 77.9°(0.16), 78.9°(0.14), 80.0°(0.05), 83.8°(0.19).
Generate atomic structure desc... | JVASP-18456 | 3.78 3.78 6.45
90 90 119
Li 0.000 0.000 0.500
Sn 0.000 0.000 0.000
S 0.333 0.667 0.740
S 0.667 0.333 0.260 |
Below is a description of a material. | The chemical formula is: YMgCu4.
The XRD pattern shows main peaks at: 21.3°(0.18), 24.6°(0.1), 35.1°(0.21), 41.4°(1.0), 43.3°(0.44), 50.5°(0.07), 67.3°(0.27), 74.2°(0.22), 88.7°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-17192 | 5.11 5.11 5.11
60 59 59
Y 0.250 0.250 0.250
Mg 0.000 0.000 0.000
Cu 0.626 0.626 0.626
Cu 0.626 0.626 0.121
Cu 0.121 0.626 0.626
Cu 0.626 0.121 0.626 |
Below is a description of a material. | The chemical formula is: Li3Ti2VO6.
The XRD pattern shows main peaks at: 17.9°(1.0), 36.5°(0.26), 36.9°(0.14), 37.9°(0.06), 43.7°(0.86), 47.3°(0.12), 57.0°(0.09), 61.9°(0.18), 62.9°(0.08), 64.2°(0.08), 65.2°(0.13), 81.0°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom typ... | JVASP-137763 | 6.65 6.65 5.92
73 73 25
Li 0.000 0.000 0.000
Li 0.666 0.666 0.676
Li 0.334 0.334 0.324
Ti 0.657 0.657 0.188
Ti 0.343 0.343 0.812
V 0.000 -0.000 0.500
O 0.168 0.168 0.414
O 0.828 0.828 0.062
O 0.832 0.832 0.586
O 0.502 0.502 0.746
O 0.498 0.498 0.254
O 0.172 0.172 0.938 |
Below is a description of a material. | The chemical formula is: SrHO2.
The XRD pattern shows main peaks at: 18.4°(0.99), 24.6°(1.0), 30.9°(0.49), 35.1°(0.83), 37.2°(0.28), 39.9°(0.57), 45.2°(0.44), 50.5°(0.26), 52.1°(0.43), 54.2°(0.22), 56.9°(0.18), 60.4°(0.17), 63.2°(0.1), 64.4°(0.21), 68.9°(0.09), 70.0°(0.24), 77.2°(0.08), 84.7°(0.14), 86.1°(0.09), 87.7°(... | JVASP-139097 | 3.62 3.62 4.83
90 90 90
Sr 0.500 0.500 0.539
H 0.000 0.000 0.815
O 0.000 0.000 0.612
O 0.500 0.500 0.043 |
Below is a description of a material. | The chemical formula is: TaO3.
The XRD pattern shows main peaks at: 22.0°(0.47), 32.7°(1.0), 38.7°(0.46), 45.0°(0.14), 48.9°(0.14), 51.5°(0.5), 54.2°(0.1), 64.0°(0.22), 66.3°(0.3), 68.6°(0.07), 70.0°(0.08), 81.0°(0.08), 83.0°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and ato... | JVASP-37460 | 4.65 4.65 3.73
90 90 120
Ta 0.333 0.667 0.250
Ta 0.667 0.333 0.750
O 0.641 0.820 0.750
O 0.180 0.359 0.750
O 0.180 0.820 0.750
O 0.359 0.180 0.250
O 0.820 0.641 0.250
O 0.820 0.180 0.250 |
Below is a description of a material. | The chemical formula is: Bi2OF4.
The XRD pattern shows main peaks at: 14.0°(0.13), 17.0°(0.07), 24.5°(1.0), 28.2°(0.8), 31.3°(0.21), 31.9°(0.29), 33.4°(0.14), 38.2°(0.07), 39.6°(0.09), 42.7°(0.24), 45.4°(0.21), 47.7°(0.13), 48.3°(0.09), 50.5°(0.14), 51.9°(0.14), 53.9°(0.19), 56.5°(0.12), 58.1°(0.08), 59.6°(0.08).
Gener... | JVASP-52279 | 5.71 7.10 5.74
77 90 66
Bi 0.889 0.788 0.584
Bi 0.323 0.788 0.084
Bi 0.677 0.212 0.916
Bi 0.111 0.212 0.416
O 0.036 0.000 0.750
O 0.964 0.000 0.250
F 0.703 0.844 0.954
F 0.453 0.844 0.454
F 0.275 0.568 0.833
F 0.157 0.568 0.333
F 0.843 0.432 0.667
F 0.725 0.432 0.167
F 0.547 0.156 0.546
F 0.297 0.156 0.046 |
Below is a description of a material. | The chemical formula is: Mg2Si.
The XRD pattern shows main peaks at: 29.2°(0.09), 36.9°(1.0), 38.9°(1.0), 49.4°(0.12), 54.7°(0.3), 60.5°(0.08), 69.2°(0.29), 70.5°(0.15), 74.3°(0.27), 83.6°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-93761 | 4.63 4.63 6.13
90 90 120
Mg 0.000 0.000 0.000
Mg 0.000 0.000 0.500
Mg 0.333 0.667 0.750
Mg 0.667 0.333 0.250
Si 0.334 0.667 0.250
Si 0.666 0.333 0.750 |
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