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: SrAl6Cu.
The XRD pattern shows main peaks at: 20.3°(0.37), 21.4°(0.13), 28.9°(0.17), 29.7°(1.0), 30.9°(0.32), 36.3°(0.6), 38.5°(0.08), 41.4°(0.63), 43.9°(0.21), 46.5°(0.09), 48.5°(0.3), 51.7°(0.38), 53.1°(0.18), 59.9°(0.19), 65.6°(0.23), 68.3°(0.09), 72.1°(0.16), 77.2°(0.07), 83.1°(0.1), 84.2°(... | JVASP-189542 | 4.36 4.36 8.31
90 90 90
Sr -0.000 0.000 -0.000
Al 0.500 -0.000 0.663
Al -0.000 0.500 0.663
Al 0.500 0.500 0.155
Al 0.500 0.500 0.845
Al 0.000 0.500 0.337
Al 0.500 0.000 0.337
Cu -0.000 0.000 0.500 |
Below is a description of a material. | The chemical formula is: Sr2FeBrO3.
The XRD pattern shows main peaks at: 11.5°(0.09), 23.1°(0.07), 32.3°(0.6), 32.6°(1.0), 40.1°(0.14), 46.3°(0.31), 57.7°(0.36), 67.5°(0.1), 76.8°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-12128 | 3.93 3.93 15.37
90 90 90
Sr 0.750 0.750 0.678
Sr 0.250 0.250 0.090
Sr 0.750 0.750 0.910
Sr 0.250 0.250 0.322
Fe 0.250 0.250 0.805
Fe 0.750 0.750 0.195
Br 0.750 0.750 0.415
Br 0.250 0.250 0.585
O 0.750 0.250 0.785
O 0.250 0.750 0.785
O 0.750 0.250 0.215
O 0.250 0.750 0.215
O 0.750 0.750 0.070
O 0.250 0.250 0.930 |
Below is a description of a material. | The chemical formula is: K3VO8.
The XRD pattern shows main peaks at: 17.6°(0.32), 18.7°(0.14), 26.6°(0.29), 30.1°(1.0), 32.1°(0.08), 37.9°(0.48), 47.9°(0.12), 49.2°(0.58), 54.7°(0.06), 61.8°(0.09), 62.6°(0.18), 63.7°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-146843 | 6.08 6.08 6.08
113 113 102
K 0.750 0.250 0.500
K 0.250 0.750 0.500
K 0.500 0.500 -0.000
V 0.000 0.000 0.000
O 0.219 0.219 0.413
O 0.806 0.806 0.587
O 0.781 0.194 0.000
O 0.194 0.781 0.000
O 0.323 0.323 0.272
O 0.050 0.050 0.728
O 0.677 0.950 -0.000
O 0.950 0.677 -0.000 |
Below is a description of a material. | The chemical formula is: TeH2NF5.
The XRD pattern shows main peaks at: 18.7°(0.72), 20.2°(0.58), 21.2°(1.0), 23.3°(0.74), 27.6°(0.45), 32.9°(0.28), 35.3°(0.1), 35.9°(0.2), 36.9°(0.15), 41.0°(0.17), 42.6°(0.22), 43.3°(0.18), 44.2°(0.4), 45.4°(0.12), 47.5°(0.13), 53.4°(0.08), 57.0°(0.11), 57.5°(0.08), 63.0°(0.15), 65.6°(... | JVASP-146985 | 8.81 5.11 5.13
68 90 90
Te 0.149 0.481 0.260
Te 0.649 0.519 0.740
H 0.305 0.047 0.477
H 0.805 0.953 0.523
H 0.275 0.199 0.709
H 0.775 0.801 0.291
N 0.306 0.236 0.504
N 0.806 0.764 0.496
F 0.646 0.727 0.980
F 0.146 0.273 0.020
F 0.504 0.274 0.980
F 0.004 0.726 0.020
F 0.294 0.726 0.020
F 0.147 0.714 0.473
F 0.794 0.274 ... |
Below is a description of a material. | The chemical formula is: Be2PdRh.
The XRD pattern shows main peaks at: 32.0°(1.0), 45.9°(0.91), 57.1°(0.24), 66.9°(0.13), 76.1°(0.29), 85.0°(0.3).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-191429 | 3.95 3.95 3.95
60 60 60
Be 0.250 0.250 0.250
Be 0.750 0.750 0.750
Rh 0.000 -0.000 0.000
Pd 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Ge2Cl.
The XRD pattern shows main peaks at: 15.2°(0.77), 25.5°(0.9), 29.6°(1.0), 33.4°(0.26), 37.1°(0.79), 39.5°(0.56), 41.6°(0.38), 44.5°(0.12), 46.6°(0.12), 48.1°(0.75), 51.4°(0.19), 51.8°(0.41), 54.3°(0.14), 56.2°(0.14), 60.4°(0.23), 61.4°(0.12), 67.6°(0.11), 72.3°(0.11), 73.9°(0.2), 80.5°(0... | JVASP-114974 | 5.84 3.02 4.35
90 90 90
Ge -0.147 0.000 -0.034
Ge 0.085 0.000 0.466
Cl 0.463 0.000 -0.033 |
Below is a description of a material. | The chemical formula is: Sr2TlIn.
The XRD pattern shows main peaks at: 7.4°(1.0), 8.5°(0.38), 12.1°(0.18), 14.1°(0.24), 14.8°(0.23), 17.1°(0.08), 18.7°(0.13), 21.0°(0.09), 22.2°(0.16), 25.8°(0.08), 28.0°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-81962 | 13.22 14.33 14.33
61 62 62
Sr 0.751 0.000 -0.000
Sr 0.249 -0.000 0.000
Tl 0.500 -0.000 0.000
In 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: K4SrBe.
The XRD pattern shows main peaks at: 14.0°(0.21), 16.1°(0.21), 22.9°(0.28), 26.9°(1.0), 28.2°(0.39), 35.7°(0.07), 36.6°(0.12), 40.2°(0.11), 42.8°(0.39), 46.8°(0.28), 49.1°(0.05), 49.8°(0.06), 52.7°(0.05), 54.8°(0.12), 55.5°(0.15), 63.4°(0.06), 65.3°(0.23), 74.9°(0.07).
Generate atomic s... | JVASP-65063 | 7.76 7.76 7.76
60 60 60
K 0.122 0.626 0.626
K 0.626 0.626 0.626
K 0.626 0.122 0.626
K 0.626 0.626 0.122
Sr 0.250 0.250 0.250
Be 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: MnBe2Hg.
The XRD pattern shows main peaks at: 15.7°(0.62), 30.3°(1.0), 31.8°(0.46), 34.3°(0.52), 43.4°(0.46), 44.5°(0.83), 46.4°(0.2), 48.5°(0.06), 54.8°(0.39), 58.3°(0.1), 63.0°(0.13), 65.4°(0.08), 67.1°(0.09), 71.5°(0.16), 72.4°(0.15), 73.8°(0.13), 74.8°(0.16), 80.4°(0.29), 82.8°(0.11), 83.4°... | JVASP-68525 | 2.95 2.95 5.63
90 90 90
Mn 0.500 0.500 0.500
Be 0.000 0.000 0.681
Be 0.000 0.000 0.319
Hg 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: CaMoO4.
The XRD pattern shows main peaks at: 18.6°(0.29), 28.7°(1.0), 31.3°(0.11), 34.2°(0.14), 39.3°(0.09), 47.1°(0.33), 49.2°(0.14), 54.2°(0.15), 58.0°(0.25), 59.5°(0.1), 76.2°(0.12), 79.4°(0.05), 82.3°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-150984 | 6.81 6.81 6.81
134 134 65
Ca 0.875 0.625 0.250
Ca 0.125 0.375 0.750
Mo 0.375 0.125 0.250
Mo 0.625 0.875 0.750
O 0.704 0.360 0.644
O 0.216 0.059 0.856
O 0.860 0.716 0.657
O 0.559 0.204 0.843
O 0.296 0.640 0.356
O 0.784 0.941 0.144
O 0.140 0.284 0.343
O 0.441 0.796 0.157 |
Below is a description of a material. | The chemical formula is: GaMo4Se8.
The XRD pattern shows main peaks at: 14.9°(0.37), 17.3°(0.08), 28.8°(0.37), 30.1°(0.23), 34.9°(1.0), 43.1°(0.44), 50.2°(0.8), 62.6°(0.15), 73.8°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-57832 | 7.27 7.27 7.27
60 60 60
Ga 0.000 0.000 0.000
Mo 0.400 0.800 0.400
Mo 0.800 0.400 0.400
Mo 0.400 0.400 0.800
Mo 0.400 0.400 0.400
Se 0.137 0.590 0.137
Se 0.590 0.137 0.137
Se 0.137 0.137 0.590
Se 0.636 0.636 0.636
Se 0.636 0.636 0.092
Se 0.092 0.636 0.636
Se 0.636 0.092 0.636
Se 0.137 0.137 0.137 |
Below is a description of a material. | The chemical formula is: CaAlSiH.
The XRD pattern shows main peaks at: 31.3°(1.0), 38.1°(0.14), 43.7°(0.38), 46.0°(0.09), 54.7°(0.18), 59.3°(0.19), 64.6°(0.1), 72.5°(0.15), 80.3°(0.05), 81.3°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-79259 | 4.14 4.14 4.72
90 90 120
Ca 0.000 0.000 0.002
Al 0.667 0.333 0.545
Si 0.333 0.667 0.431
H 0.667 0.333 0.915 |
Below is a description of a material. | The chemical formula is: LiBeCu2.
The XRD pattern shows main peaks at: 28.6°(1.0), 44.6°(0.76), 45.1°(0.28), 48.9°(0.15), 53.4°(0.23), 61.7°(0.21), 68.7°(0.07), 72.4°(0.12), 75.3°(0.16), 78.9°(0.06), 88.5°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-71814 | 4.44 4.44 4.44
134 134 66
Li 0.500 0.500 0.000
Be 0.750 0.250 0.500
Cu 0.000 0.000 0.000
Cu 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: AcOF.
The XRD pattern shows main peaks at: 25.9°(1.0), 30.0°(0.35), 42.9°(0.52), 50.8°(0.49), 53.2°(0.1), 62.3°(0.08), 68.6°(0.18), 70.7°(0.15), 78.7°(0.13), 84.5°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-31168 | 4.21 4.21 4.21
60 60 60
Ac 0.000 0.000 0.000
O 0.250 0.250 0.250
F 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: Ni2SnP.
The XRD pattern shows main peaks at: 13.6°(0.1), 22.1°(0.16), 28.3°(0.08), 30.4°(0.36), 31.2°(0.14), 32.6°(0.69), 33.4°(1.0), 35.8°(0.1), 37.2°(0.65), 37.8°(0.29), 45.1°(0.3), 45.7°(0.98), 46.5°(0.12), 50.7°(0.37), 58.2°(0.09), 61.6°(0.23), 65.0°(0.12), 70.2°(0.16), 80.8°(0.08), 89.7°(0... | JVASP-96777 | 3.60 5.11 13.04
90 90 90
Ni 0.250 0.501 0.114
Ni 0.750 0.499 0.886
Ni 0.750 0.001 0.386
Ni 0.250 -0.001 0.614
Ni 0.750 0.515 0.421
Ni 0.250 0.485 0.579
Ni 0.250 0.015 0.079
Ni 0.750 0.985 0.921
Sn 0.250 0.294 0.295
Sn 0.750 0.706 0.705
Sn 0.750 0.794 0.205
Sn 0.250 0.206 0.795
P 0.750 0.286 0.043
P 0.250 0.714 0.957
P ... |
Below is a description of a material. | The chemical formula is: Pr5Pb3.
The XRD pattern shows main peaks at: 10.8°(0.09), 22.8°(0.12), 25.8°(0.25), 28.9°(0.2), 31.7°(1.0), 32.1°(0.72), 32.8°(0.42), 34.0°(0.12), 40.3°(0.11), 41.9°(0.21), 46.6°(0.15), 49.4°(0.28), 53.1°(0.11), 62.8°(0.21), 63.8°(0.12).
Generate atomic structure description with lattice length... | JVASP-166253 | 6.90 9.45 9.45
120 90 90
Pr 0.500 0.333 0.667
Pr 0.500 0.667 0.333
Pr 0.000 0.667 0.333
Pr 0.000 0.333 0.667
Pr 0.750 0.241 0.000
Pr 0.750 0.759 0.759
Pr 0.750 0.000 0.241
Pr 0.250 0.759 -0.000
Pr 0.250 0.241 0.241
Pr 0.250 -0.000 0.759
Pb 0.750 0.607 0.000
Pb 0.750 0.393 0.393
Pb 0.750 0.000 0.607
Pb 0.250 0.393 -0.00... |
Below is a description of a material. | The chemical formula is: CdGeO3.
The XRD pattern shows main peaks at: 20.6°(0.09), 23.0°(0.2), 30.9°(1.0), 34.6°(0.82), 35.8°(0.16), 47.1°(0.31), 50.5°(0.34), 52.5°(0.09), 59.7°(0.32), 62.0°(0.23), 66.3°(0.08), 72.9°(0.1), 81.3°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and ... | JVASP-10234 | 5.86 5.86 5.86
52 52 52
Cd 0.632 0.632 0.632
Cd 0.368 0.368 0.368
Ge 0.841 0.841 0.841
Ge 0.159 0.159 0.159
O 0.035 0.811 0.439
O 0.811 0.439 0.035
O 0.439 0.035 0.811
O 0.965 0.189 0.561
O 0.561 0.965 0.189
O 0.189 0.561 0.965 |
Below is a description of a material. | The chemical formula is: HfH6C5O4.
The XRD pattern shows main peaks at: 11.0°(1.0), 22.0°(0.17), 23.0°(0.09), 24.3°(0.24), 24.9°(0.14), 26.2°(0.16), 27.0°(0.13), 28.9°(0.15), 30.4°(0.09), 31.0°(0.06), 33.1°(0.09), 36.8°(0.09), 42.1°(0.07), 43.9°(0.06), 46.3°(0.07), 47.7°(0.06).
Generate atomic structure description wit... | JVASP-103951 | 4.60 4.05 8.37
75 84 57
Hf 0.144 0.185 0.334
H 0.444 0.022 0.939
H 0.887 0.847 0.905
H 0.859 0.645 0.728
H 0.018 0.220 0.651
H 0.424 0.329 0.661
H 0.285 0.715 0.762
C 0.672 0.785 0.479
C 0.780 0.513 0.656
C 0.658 0.245 0.060
C 0.512 0.432 0.743
C 0.632 0.113 0.912
O -0.005 0.758 0.417
O 0.619 0.592 0.370
O 0.935 0.220 ... |
Below is a description of a material. | The chemical formula is: InPbCl3.
The XRD pattern shows main peaks at: 15.6°(0.41), 22.2°(1.0), 31.6°(0.42), 35.5°(0.31), 38.9°(0.43), 45.2°(0.19), 48.3°(0.11), 56.1°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-36947 | 5.67 5.67 5.67
89 89 90
In 0.928 0.916 0.086
Pb 0.508 0.496 0.506
Cl 0.557 -0.001 0.458
Cl 0.011 0.544 0.456
Cl 0.556 0.545 0.003 |
Below is a description of a material. | The chemical formula is: MgTi2ZnO6.
The XRD pattern shows main peaks at: 21.1°(0.12), 23.9°(0.36), 32.7°(1.0), 35.2°(0.59), 40.4°(0.26), 48.8°(0.39), 53.3°(0.47), 56.7°(0.11), 61.6°(0.33), 63.2°(0.33), 70.7°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-107546 | 5.51 5.51 5.51
55 55 55
Mg 0.355 0.355 0.355
Ti 0.144 0.144 0.144
Ti 0.854 0.854 0.854
Zn 0.638 0.638 0.638
O 0.956 0.224 0.564
O 0.224 0.564 0.956
O 0.564 0.956 0.224
O 0.056 0.772 0.438
O 0.772 0.438 0.056
O 0.438 0.056 0.772 |
Below is a description of a material. | The chemical formula is: Zr2NCl2.
The XRD pattern shows main peaks at: 10.0°(0.95), 30.1°(0.22), 31.7°(0.14), 36.4°(1.0), 40.8°(0.1), 43.2°(0.2), 51.5°(0.15), 53.4°(0.23), 54.4°(0.07), 60.9°(0.06), 66.3°(0.15), 69.3°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-190358 | 3.43 3.43 8.84
90 90 120
N 0.000 -0.000 0.500
Zr 0.333 0.667 0.372
Zr 0.667 0.333 0.628
Cl 0.333 0.667 0.829
Cl 0.667 0.333 0.171 |
Below is a description of a material. | The chemical formula is: Ga2RuRh.
The XRD pattern shows main peaks at: 42.2°(1.0), 60.9°(0.07), 61.5°(0.14), 77.0°(0.14), 77.4°(0.27).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-187200 | 3.04 4.27 4.27
90 90 90
Ru 0.500 0.000 0.000
Rh 0.500 0.500 0.500
Ga -0.000 -0.000 0.500
Ga -0.000 0.500 -0.000 |
Below is a description of a material. | The chemical formula is: TiAlNi2.
The XRD pattern shows main peaks at: 30.0°(0.11), 43.0°(0.49), 43.3°(1.0), 62.4°(0.15), 63.5°(0.07), 79.0°(0.31), 79.8°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-106325 | 2.98 2.98 5.86
90 90 90
Ti 0.000 0.000 0.500
Al 0.000 0.000 0.000
Ni 0.500 0.500 0.251
Ni 0.500 0.500 0.749 |
Below is a description of a material. | The chemical formula is: Al6C3N2.
The XRD pattern shows main peaks at: 6.5°(0.05), 26.3°(0.1), 31.8°(0.74), 33.5°(0.39), 36.3°(0.5), 38.7°(0.84), 40.1°(0.3), 56.2°(1.0), 68.7°(0.1), 70.3°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-57863 | 13.66 13.66 13.66
13 13 13
Al 0.308 0.308 0.308
Al 0.913 0.913 0.913
Al 0.189 0.189 0.189
Al 0.810 0.810 0.810
Al 0.087 0.087 0.087
Al 0.691 0.691 0.691
C 1.000 1.000 1.000
C 0.135 0.135 0.135
C 0.865 0.865 0.865
N 0.736 0.736 0.736
N 0.263 0.263 0.263 |
Below is a description of a material. | The chemical formula is: La2InGe2.
The XRD pattern shows main peaks at: 25.7°(0.1), 30.7°(0.62), 32.8°(1.0), 36.6°(0.36), 40.8°(0.21), 42.0°(0.1), 48.4°(0.13), 52.9°(0.15), 54.3°(0.14), 56.0°(0.21), 60.0°(0.06), 64.8°(0.15), 68.5°(0.07), 69.3°(0.11).
Generate atomic structure description with lattice lengths, angles, c... | JVASP-151522 | 7.76 7.76 4.42
90 90 90
La 0.180 0.680 0.500
La 0.820 0.320 0.500
La 0.320 0.180 0.500
La 0.680 0.820 0.500
In 0.000 0.000 0.000
In 0.500 0.500 0.000
Ge 0.384 0.884 0.000
Ge 0.616 0.116 0.000
Ge 0.116 0.384 0.000
Ge 0.884 0.616 0.000 |
Below is a description of a material. | The chemical formula is: ScGePd.
The XRD pattern shows main peaks at: 15.1°(0.22), 22.7°(0.34), 26.3°(0.24), 35.0°(0.94), 38.3°(1.0), 40.7°(0.63), 46.3°(0.41), 47.1°(0.75), 63.3°(0.33), 67.7°(0.18), 74.6°(0.34), 80.4°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-90152 | 3.93 6.77 6.77
120 90 90
Sc 0.000 0.421 0.000
Sc 0.000 0.579 0.579
Sc 0.000 1.000 0.421
Ge 0.500 0.333 0.667
Ge 0.500 0.667 0.333
Ge 0.000 -0.000 0.000
Pd 0.500 0.749 0.000
Pd 0.500 0.251 0.251
Pd 0.500 1.000 0.749 |
Below is a description of a material. | The chemical formula is: CdSn.
The XRD pattern shows main peaks at: 30.9°(0.23), 33.2°(0.25), 35.2°(1.0), 46.0°(0.16), 55.0°(0.18), 60.7°(0.19), 65.8°(0.21), 67.0°(0.15), 86.3°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-100156 | 3.34 3.34 5.39
90 90 120
Cd 0.333 0.667 0.500
Sn 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: MgBO.
The XRD pattern shows main peaks at: 16.2°(0.08), 27.4°(1.0), 32.0°(0.08), 32.6°(0.09), 39.2°(0.37), 43.2°(0.15), 49.9°(0.05), 51.9°(0.09), 56.6°(0.1), 57.9°(0.12), 64.1°(0.13), 65.2°(0.09), 73.8°(0.06), 85.3°(0.07).
Generate atomic structure description with lattice lengths, angles, coor... | JVASP-137813 | 3.25 3.25 5.49
90 90 90
Mg 0.000 0.000 0.669
B 0.000 0.000 0.250
O 0.000 0.000 0.023 |
Below is a description of a material. | The chemical formula is: BeTl2Fe.
The XRD pattern shows main peaks at: 24.6°(0.66), 36.2°(0.27), 37.5°(1.0), 46.4°(0.25), 53.2°(0.2), 60.2°(0.12), 61.0°(0.22), 67.4°(0.15), 73.1°(0.08), 80.1°(0.26).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-68742 | 5.55 5.55 5.55
138 138 59
Be 0.500 0.500 0.000
Tl 0.000 0.000 0.000
Tl 0.250 0.750 0.500
Fe 0.750 0.250 0.500 |
Below is a description of a material. | The chemical formula is: AgBrO.
The XRD pattern shows main peaks at: 12.2°(0.2), 16.6°(1.0), 20.6°(0.73), 28.7°(0.13), 31.3°(0.64), 33.5°(0.95), 35.6°(0.64), 37.0°(0.45), 38.1°(0.78), 40.8°(0.37), 41.8°(0.43), 46.5°(0.41), 50.8°(0.38), 51.6°(0.63), 59.5°(0.23), 70.0°(0.2), 72.2°(0.13), 81.3°(0.16), 82.0°(0.19), 82.9°(0... | JVASP-138189 | 3.11 5.35 7.28
90 90 90
Ag 0.000 0.500 0.659
Ag 0.500 0.500 0.969
Br 0.500 0.000 0.343
Br 0.500 0.500 0.336
O 0.000 0.000 0.157
O 0.000 0.000 0.535 |
Below is a description of a material. | The chemical formula is: NdSnAu.
The XRD pattern shows main peaks at: 11.3°(0.32), 22.6°(0.11), 31.2°(1.0), 37.2°(0.92), 39.0°(0.11), 40.7°(0.28), 44.0°(0.13), 46.2°(0.06), 49.4°(0.31), 56.3°(0.12), 58.8°(0.06), 60.8°(0.18), 63.4°(0.28), 67.1°(0.16), 69.5°(0.12), 71.7°(0.19), 79.4°(0.11), 87.7°(0.12).
Generate atomic s... | JVASP-102328 | 4.83 4.83 7.85
90 90 120
Nd 0.000 0.000 0.285
Nd 0.000 0.000 0.715
Sn 0.667 0.333 0.936
Sn 0.333 0.667 0.064
Au 0.333 0.667 0.493
Au 0.667 0.333 0.507 |
Below is a description of a material. | The chemical formula is: RbU3.
The XRD pattern shows main peaks at: 9.8°(1.0), 28.0°(0.36), 29.6°(0.05), 32.7°(0.24), 35.9°(0.24), 37.0°(0.13), 38.5°(0.28), 40.3°(0.16), 41.6°(0.08), 42.4°(0.17), 44.8°(0.15), 48.2°(0.07), 52.8°(0.12), 55.9°(0.09), 64.2°(0.09), 72.1°(0.1), 76.4°(0.09), 82.3°(0.05).
Generate atomic struc... | JVASP-123520 | 2.87 9.07 4.47
90 90 90
Rb 0.000 0.124 0.750
U 0.500 0.466 0.250
U 0.500 0.623 0.750
U 0.000 0.787 0.250 |
Below is a description of a material. | The chemical formula is: UCu2Ge2.
The XRD pattern shows main peaks at: 16.9°(0.1), 23.7°(0.25), 31.4°(0.29), 33.9°(0.91), 35.9°(1.0), 45.0°(0.5), 48.8°(0.36), 57.5°(0.37), 62.2°(0.16), 65.6°(0.16), 68.6°(0.29), 71.8°(0.06), 88.9°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-18069 | 4.03 4.03 5.98
109 109 90
U 0.000 0.000 0.000
Cu 0.250 0.750 0.500
Cu 0.750 0.250 0.500
Ge 0.619 0.619 0.238
Ge 0.381 0.381 0.762 |
Below is a description of a material. | The chemical formula is: LiPI.
The XRD pattern shows main peaks at: 11.7°(1.0), 23.4°(0.2), 24.9°(0.79), 27.6°(0.59), 34.5°(0.32), 35.5°(0.44), 37.5°(0.24), 43.0°(0.17), 43.9°(0.33), 51.1°(0.31), 52.7°(0.09), 54.8°(0.09), 57.0°(0.08), 57.7°(0.15), 59.1°(0.13), 63.2°(0.11), 63.8°(0.11), 69.6°(0.17), 72.7°(0.07), 86.1°(0... | JVASP-118558 | 3.57 3.57 7.59
90 90 90
Li 0.000 0.000 0.688
P 0.000 0.000 0.002
I 0.000 0.000 0.331 |
Below is a description of a material. | The chemical formula is: NaMnO2.
The XRD pattern shows main peaks at: 17.4°(0.8), 31.4°(0.16), 35.3°(0.69), 37.0°(0.81), 42.8°(1.0), 56.3°(0.09), 57.8°(0.68), 62.1°(0.27), 63.0°(0.06), 65.6°(0.13), 73.5°(0.21), 74.6°(0.26), 78.9°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-46949 | 5.98 6.44 5.98
62 90 117
Na 0.500 0.500 -0.000
Na 0.000 0.000 0.500
Na 0.500 0.000 0.500
Na 0.500 0.500 0.500
Mn 0.000 0.000 0.000
Mn 0.500 0.000 0.000
Mn 0.000 0.500 -0.000
Mn 0.000 0.500 0.500
O 0.249 0.999 0.211
O 0.790 0.501 0.249
O 0.211 0.501 0.249
O 0.751 0.001 0.210
O 0.249 0.999 0.790
O 0.789 0.499 0.751
O 0.2... |
Below is a description of a material. | The chemical formula is: CdSnO2.
The XRD pattern shows main peaks at: 31.4°(1.0), 33.2°(0.31), 37.9°(0.48), 51.3°(0.38), 54.7°(0.16), 58.2°(0.2), 64.5°(0.27), 65.6°(0.16), 81.1°(0.05), 82.3°(0.08), 84.0°(0.14), 89.5°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-179851 | 3.35 3.35 5.39
90 90 90
Cd 0.500 0.500 0.506
Sn 0.000 0.000 0.015
O 0.000 -0.000 0.418
O 0.500 0.500 0.072 |
Below is a description of a material. | The chemical formula is: Ba2CaCu2MoO8.
The XRD pattern shows main peaks at: 27.1°(0.84), 31.8°(1.0), 32.4°(0.75), 35.7°(0.08), 36.9°(0.29), 37.4°(0.25), 39.4°(0.08), 44.3°(0.06), 46.4°(0.47), 49.9°(0.24), 54.6°(0.24), 57.4°(0.36), 60.8°(0.22), 67.8°(0.16), 77.1°(0.12), 79.8°(0.11), 88.7°(0.1).
Generate atomic structure... | JVASP-122494 | 3.91 3.91 12.18
90 90 90
Ba 0.500 0.500 0.790
Ba 0.500 0.500 0.210
Ca 0.500 0.500 0.500
Cu 0.000 0.000 0.379
Cu 0.000 0.000 0.621
Mo 0.000 0.000 0.000
O 0.500 0.000 0.627
O 0.000 0.500 0.627
O 0.500 0.000 0.373
O 0.000 0.500 0.373
O 0.000 0.500 0.000
O 0.500 0.000 0.000
O 0.000 0.000 0.154
O 0.000 0.000 0.846 |
Below is a description of a material. | The chemical formula is: AgPtF6.
The XRD pattern shows main peaks at: 18.1°(0.06), 21.1°(0.12), 23.6°(1.0), 31.7°(0.52), 35.4°(0.24), 40.0°(0.08), 43.0°(0.21), 48.2°(0.14), 51.8°(0.33), 54.0°(0.07), 56.8°(0.18), 61.2°(0.15), 63.5°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates an... | JVASP-168851 | 5.07 5.07 10.25
75 75 60
Ag 0.500 0.500 0.500
Ag 0.000 0.000 -0.000
Pt 0.250 0.250 0.250
Pt 0.750 0.750 0.750
F 0.180 0.539 0.366
F 0.820 0.461 0.634
F 0.915 0.180 0.366
F 0.085 0.820 0.634
F 0.585 0.320 0.134
F 0.415 0.680 0.866
F 0.320 -0.038 0.134
F 0.680 0.038 0.866
F 0.039 0.415 0.866
F 0.961 0.585 0.134
F 0.462 0... |
Below is a description of a material. | The chemical formula is: LaAs5.
The XRD pattern shows main peaks at: 26.8°(0.06), 31.0°(1.0), 44.2°(0.33), 44.6°(0.35), 55.3°(0.18), 64.6°(0.1), 73.6°(0.17), 81.8°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-122629 | 4.07 4.07 10.08
90 90 119
La 0.333 0.667 0.917
As 0.000 0.000 0.725
As 0.000 0.000 0.262
As 0.667 0.333 0.108
As 0.667 0.333 0.572
As 0.333 0.667 0.417 |
Below is a description of a material. | The chemical formula is: TiSn2.
The XRD pattern shows main peaks at: 18.0°(0.05), 24.6°(0.23), 28.0°(0.17), 35.2°(0.98), 35.8°(1.0), 36.5°(0.1), 38.3°(0.77), 46.8°(0.23), 51.6°(0.15), 54.4°(0.15), 55.4°(0.06), 56.0°(0.12), 60.7°(0.08), 61.9°(0.37), 66.9°(0.32), 67.9°(0.27), 74.5°(0.12), 75.9°(0.1), 79.2°(0.1), 81.9°(0.... | JVASP-185369 | 3.37 3.89 5.56
110 107 90
Ti -0.000 -0.000 -0.000
Sn 0.655 0.655 0.310
Sn 0.345 0.345 0.690 |
Below is a description of a material. | The chemical formula is: LiBeBi.
The XRD pattern shows main peaks at: 11.6°(1.0), 23.4°(0.21), 27.7°(0.32), 30.2°(0.44), 35.4°(0.09), 36.6°(0.28), 39.6°(0.13), 41.4°(0.19), 45.5°(0.18), 46.5°(0.15), 54.2°(0.1), 56.1°(0.08), 58.7°(0.07), 62.7°(0.06), 63.8°(0.05), 64.8°(0.06), 66.1°(0.11), 69.9°(0.09), 76.1°(0.08), 84.4°... | JVASP-138071 | 3.22 3.22 7.62
90 90 90
Li 0.000 0.000 0.026
Be 0.000 0.000 0.339
Bi 0.000 0.000 0.665 |
Below is a description of a material. | The chemical formula is: Y3Zr.
The XRD pattern shows main peaks at: 31.8°(1.0), 36.4°(0.16), 37.1°(0.31), 53.0°(0.21), 53.5°(0.12), 63.6°(0.25), 66.5°(0.1), 87.8°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-188300 | 3.42 3.42 9.87
90 90 89
Y -0.000 0.000 0.019
Y 0.000 -0.000 0.481
Y 0.500 0.500 0.750
Zr 0.500 0.500 0.250 |
Below is a description of a material. | The chemical formula is: Ba2HoUO6.
The XRD pattern shows main peaks at: 20.3°(0.07), 28.8°(1.0), 41.2°(0.28), 51.1°(0.38), 59.7°(0.18), 67.6°(0.19), 75.1°(0.06), 82.3°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-99864 | 6.20 6.20 6.20
60 60 60
Ba 0.250 0.250 0.250
Ba 0.750 0.750 0.750
Ho 0.500 0.500 0.500
U 0.000 0.000 0.000
O 0.755 0.245 0.245
O 0.245 0.755 0.755
O 0.245 0.755 0.245
O 0.755 0.245 0.755
O 0.245 0.245 0.755
O 0.755 0.755 0.245 |
Below is a description of a material. | The chemical formula is: CaGa2.
The XRD pattern shows main peaks at: 20.7°(0.37), 24.0°(0.07), 31.9°(1.0), 42.2°(0.74), 47.4°(0.27), 53.8°(0.21), 61.2°(0.36), 70.6°(0.24), 77.0°(0.08), 80.9°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-19933 | 4.29 4.29 4.28
90 90 120
Ca 0.000 0.000 0.000
Ga 0.667 0.333 0.500
Ga 0.333 0.667 0.500 |
Below is a description of a material. | The chemical formula is: VCr2O6.
The XRD pattern shows main peaks at: 28.1°(1.0), 37.0°(0.51), 40.2°(0.08), 42.3°(0.16), 55.8°(0.53), 58.1°(0.17), 65.8°(0.09), 70.9°(0.19), 84.8°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-146280 | 4.49 4.49 8.67
90 90 90
V 0.000 0.000 0.000
V 0.500 0.500 0.500
Cr 0.000 0.000 0.333
Cr 0.000 0.000 0.667
Cr 0.500 0.500 0.167
Cr 0.500 0.500 0.833
O 0.802 0.198 0.163
O 0.698 0.698 0.663
O 0.698 0.698 0.337
O 0.696 0.696 0.000
O 0.302 0.302 0.663
O 0.198 0.802 0.837
O 0.304 0.304 0.000
O 0.804 0.196 0.500
O 0.196 0.80... |
Below is a description of a material. | The chemical formula is: Pm2InAg.
The XRD pattern shows main peaks at: 33.5°(1.0), 48.1°(0.18), 59.9°(0.36), 70.4°(0.11), 80.3°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-37730 | 5.35 5.35 5.35
60 60 60
Pm 0.500 0.500 0.500
Pm 0.000 0.000 0.000
In 0.750 0.750 0.750
Ag 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: InGaBi.
The XRD pattern shows main peaks at: 21.7°(0.19), 25.1°(0.49), 35.8°(1.0), 42.2°(0.1), 44.2°(0.15), 51.5°(0.17), 58.1°(0.18), 64.3°(0.36), 75.8°(0.1), 81.4°(0.09), 86.8°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-160993 | 5.02 5.02 5.02
60 60 60
In 0.750 0.750 0.750
Ga 0.000 0.000 0.000
Bi 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: ThSi2.
The XRD pattern shows main peaks at: 22.3°(0.57), 24.4°(0.3), 28.3°(0.51), 32.9°(1.0), 37.6°(0.37), 43.6°(0.28), 48.8°(0.2), 50.6°(0.18), 58.9°(0.2), 63.4°(0.1), 73.3°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-15081 | 4.15 4.15 7.87
105 105 90
Th 0.125 0.375 0.750
Th 0.875 0.625 0.250
Si 0.542 0.792 0.584
Si 0.292 0.042 0.084
Si 0.458 0.208 0.416
Si 0.708 0.958 0.916 |
Below is a description of a material. | The chemical formula is: LiPrS2.
The XRD pattern shows main peaks at: 17.5°(1.0), 27.2°(0.24), 28.3°(0.33), 31.5°(0.79), 36.3°(0.34), 42.9°(0.28), 45.2°(0.57), 56.1°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-163676 | 8.02 10.62 6.96
29 54 40
Li 0.249 0.502 0.001
Li 0.498 0.003 0.001
Pr 0.998 0.002 0.001
Pr 0.748 0.502 0.001
S 0.999 0.502 0.500
S 0.498 0.502 0.502
S 0.249 0.002 0.500
S 0.747 0.002 0.501 |
Below is a description of a material. | The chemical formula is: BaLa3.
The XRD pattern shows main peaks at: 28.5°(1.0), 33.1°(0.53), 47.5°(0.38), 56.3°(0.46), 59.1°(0.13), 69.4°(0.06), 76.7°(0.19), 79.0°(0.16), 88.4°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-102456 | 5.42 5.42 5.42
90 90 90
Ba 0.000 0.000 0.000
La 0.000 0.500 0.500
La 0.500 0.000 0.500
La 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: Rb2S3.
The XRD pattern shows main peaks at: 18.7°(0.16), 23.8°(0.31), 27.6°(1.0), 28.3°(0.15), 29.0°(0.08), 29.4°(0.1), 30.7°(0.67), 31.7°(0.64), 33.5°(0.14), 34.4°(0.09), 36.4°(0.21), 39.4°(0.22), 44.2°(0.23), 46.4°(0.19), 48.7°(0.14), 51.4°(0.1), 53.9°(0.16), 56.2°(0.18), 58.6°(0.09), 64.3°(0... | JVASP-10125 | 6.42 6.42 7.63
90 90 108
Rb 0.428 0.572 0.813
Rb 0.572 0.428 0.313
Rb 0.896 0.104 0.539
Rb 0.104 0.896 0.039
S 0.387 0.064 0.653
S 0.613 0.936 0.153
S 0.936 0.613 0.653
S 0.064 0.387 0.153
S 0.794 0.206 -0.001
S 0.206 0.794 0.499 |
Below is a description of a material. | The chemical formula is: ZnGeAu.
The XRD pattern shows main peaks at: 25.0°(0.81), 41.4°(1.0), 49.0°(0.4), 60.0°(0.16), 66.0°(0.17), 75.5°(0.34), 81.0°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-156429 | 4.36 4.36 4.36
60 60 60
Zn 0.750 0.750 0.750
Ge 0.250 0.250 0.250
Au 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: V3Ir.
The XRD pattern shows main peaks at: 26.4°(0.79), 37.6°(0.46), 42.3°(0.24), 46.5°(1.0), 54.3°(0.12), 61.3°(0.17), 74.2°(0.5), 80.4°(0.09), 86.4°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-20275 | 4.78 4.78 4.78
90 90 90
V 0.500 0.250 0.000
V 0.500 0.750 0.000
V 0.250 0.000 0.500
V 0.750 0.000 0.500
V 0.000 0.500 0.250
V 0.000 0.500 0.750
Ir 0.500 0.500 0.500
Ir 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: BaP2Br.
The XRD pattern shows main peaks at: 14.5°(0.54), 22.2°(0.09), 29.1°(0.37), 29.8°(0.22), 33.3°(1.0), 42.2°(0.16), 42.6°(0.27), 45.2°(0.14), 52.5°(0.28), 54.3°(0.25), 61.9°(0.08), 63.2°(0.05), 63.9°(0.05), 69.8°(0.13), 72.1°(0.21), 76.7°(0.09), 77.7°(0.06), 86.9°(0.13).
Generate atomic s... | JVASP-65527 | 6.82 6.82 6.82
143 143 52
Ba 0.250 0.750 0.500
P 0.000 0.000 0.000
P 0.500 0.500 0.000
Br 0.750 0.250 0.500 |
Below is a description of a material. | The chemical formula is: Mg2C3.
The XRD pattern shows main peaks at: 27.7°(1.0), 29.4°(0.2), 32.6°(0.16), 36.7°(0.59), 40.8°(0.58), 45.7°(0.13), 49.0°(0.39), 51.0°(0.19), 52.2°(0.2), 57.3°(0.06), 59.8°(0.32), 62.8°(0.25), 69.2°(0.07), 73.5°(0.09), 80.9°(0.07), 86.1°(0.06).
Generate atomic structure description with lat... | JVASP-12954 | 3.72 5.29 6.43
90 90 90
Mg 0.500 0.893 0.208
Mg 0.500 0.107 0.792
Mg 0.000 0.393 0.292
Mg 0.000 0.607 0.708
C 0.500 0.706 0.883
C 0.500 0.294 0.117
C 0.000 0.206 0.617
C 0.000 0.794 0.383
C 0.000 0.000 0.500
C 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: MgGaNi2.
The XRD pattern shows main peaks at: 26.2°(0.11), 43.4°(1.0), 63.0°(0.16), 79.6°(0.31).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-41294 | 4.17 4.17 4.17
60 60 60
Mg 0.750 0.750 0.750
Ga 0.250 0.250 0.250
Ni 0.500 0.500 0.500
Ni 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Tb.
The XRD pattern shows main peaks at: 29.7°(0.35), 31.1°(0.87), 33.2°(1.0), 36.1°(0.64), 39.5°(0.16), 51.8°(0.46), 61.6°(0.13), 62.9°(0.15), 64.7°(0.1), 85.8°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-25253 | 3.53 3.53 17.15
90 90 119
Tb 0.667 0.333 0.916
Tb 0.000 0.000 0.250
Tb 0.667 0.333 0.584
Tb 0.333 0.667 0.416
Tb 0.000 0.000 0.750
Tb 0.333 0.667 0.084 |
Below is a description of a material. | The chemical formula is: BaInCl.
The XRD pattern shows main peaks at: 18.2°(1.0), 23.6°(0.89), 24.5°(0.45), 30.1°(0.89), 31.3°(0.49), 34.3°(0.39), 36.9°(0.29), 38.6°(0.48), 39.6°(0.5), 44.3°(0.35), 48.4°(0.14), 50.4°(0.18), 52.1°(0.24), 55.0°(0.11), 56.3°(0.17), 58.1°(0.15), 58.8°(0.16), 62.3°(0.17), 68.9°(0.1), 83.8°(... | JVASP-135830 | 5.97 7.26 3.76
90 90 54
Ba -0.054 -0.051 0.000
In -0.055 0.449 0.000
Cl 0.446 -0.050 0.000 |
Below is a description of a material. | The chemical formula is: PdCl2.
The XRD pattern shows main peaks at: 16.1°(0.74), 25.4°(1.0), 27.4°(0.15), 29.1°(0.12), 34.5°(0.12), 36.0°(0.58), 36.8°(0.07), 39.5°(0.43), 48.2°(0.07), 49.2°(0.49), 52.2°(0.08), 53.7°(0.1), 56.5°(0.05), 57.3°(0.15), 60.3°(0.22), 62.5°(0.07), 72.3°(0.06), 78.2°(0.05).
Generate atomic str... | JVASP-86195 | 3.41 3.70 10.99
90 90 90
Pd 0.500 0.000 0.000
Pd 0.000 0.500 0.500
Cl 0.000 0.857 0.864
Cl 0.500 0.357 0.636
Cl 0.000 0.143 0.136
Cl 0.500 0.643 0.364 |
Below is a description of a material. | The chemical formula is: HPt3.
The XRD pattern shows main peaks at: 23.3°(0.34), 33.1°(0.26), 40.9°(1.0), 47.6°(0.48), 53.6°(0.15), 59.2°(0.11), 69.6°(0.31), 74.5°(0.07), 84.0°(0.38), 88.6°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-128066 | 3.82 3.82 3.82
90 90 90
H 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: Th2ZnAg.
The XRD pattern shows main peaks at: 23.9°(0.19), 34.1°(1.0), 42.1°(0.07), 49.0°(0.18), 55.2°(0.09), 61.0°(0.34), 71.8°(0.12), 81.9°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-156849 | 5.26 5.26 5.26
60 60 60
Th 0.000 0.000 0.000
Th 0.500 0.500 0.500
Zn 0.750 0.750 0.750
Ag 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: TaXe.
The XRD pattern shows main peaks at: 11.6°(0.07), 23.3°(0.65), 32.0°(0.24), 34.1°(1.0), 40.0°(0.25), 47.7°(0.09), 48.4°(0.4), 57.0°(0.16), 58.6°(0.08), 62.5°(0.23), 68.2°(0.15), 70.3°(0.13), 77.4°(0.13), 78.0°(0.1).
Generate atomic structure description with lattice lengths, angles, coord... | JVASP-128613 | 3.23 3.23 7.63
90 90 119
Ta 0.333 0.667 0.250
Xe 0.667 0.333 0.750 |
Below is a description of a material. | The chemical formula is: Li3CrS4.
The XRD pattern shows main peaks at: 15.2°(1.0), 21.6°(0.34), 26.5°(0.64), 34.5°(0.06), 37.9°(0.23), 44.0°(0.4), 46.9°(0.18), 52.2°(0.15), 57.1°(0.23), 59.5°(0.13), 68.4°(0.12), 81.0°(0.07), 85.1°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates an... | JVASP-50879 | 5.82 5.82 5.82
90 90 90
Li 0.000 0.000 0.500
Li 0.000 0.500 0.000
Li 0.500 0.000 0.000
Cr 0.000 0.000 0.000
S 0.212 0.212 0.212
S 0.212 0.788 0.788
S 0.788 0.212 0.788
S 0.788 0.788 0.212 |
Below is a description of a material. | The chemical formula is: SiC.
The XRD pattern shows main peaks at: 22.1°(1.0), 33.4°(0.32), 40.5°(0.37), 45.1°(0.11), 57.3°(0.14), 59.8°(0.14), 64.6°(0.19), 74.7°(0.07), 77.9°(0.12), 80.0°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-117953 | 3.09 3.09 4.02
90 90 120
Si 0.333 0.667 0.000
C 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: BaZrS.
The XRD pattern shows main peaks at: 23.6°(0.14), 28.4°(1.0), 31.5°(0.19), 39.8°(0.07), 41.5°(0.29), 51.1°(0.18), 53.0°(0.27), 54.3°(0.16), 67.8°(0.17), 70.6°(0.07), 80.9°(0.08), 84.3°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-182555 | 4.35 4.35 5.67
90 90 120
Ba 0.000 -0.000 -0.000
Zr 0.667 0.333 0.500
S 0.333 0.667 0.500 |
Below is a description of a material. | The chemical formula is: CoPd3.
The XRD pattern shows main peaks at: 27.5°(0.06), 38.0°(0.24), 40.6°(0.24), 43.3°(1.0), 56.8°(0.14), 68.6°(0.16), 75.8°(0.18), 82.9°(0.19), 84.7°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-110774 | 5.47 5.47 4.44
90 90 120
Co 0.333 0.667 0.750
Co 0.667 0.333 0.250
Pd 0.170 0.339 0.250
Pd 0.661 0.830 0.250
Pd 0.170 0.830 0.250
Pd 0.830 0.661 0.750
Pd 0.339 0.170 0.750
Pd 0.830 0.170 0.750 |
Below is a description of a material. | The chemical formula is: ThCo5.
The XRD pattern shows main peaks at: 20.8°(0.18), 22.2°(0.14), 30.6°(0.73), 36.5°(0.4), 42.4°(0.38), 43.1°(1.0), 45.4°(0.23), 59.5°(0.18), 62.1°(0.2), 63.8°(0.23), 65.6°(0.07), 70.2°(0.22), 77.5°(0.15), 82.2°(0.15), 83.4°(0.08), 85.6°(0.09).
Generate atomic structure description with lat... | JVASP-149318 | 4.93 4.93 4.00
90 90 120
Th 0.000 0.000 0.000
Co 0.333 0.667 0.000
Co 0.667 0.333 0.000
Co 0.500 0.000 0.500
Co 0.000 0.500 0.500
Co 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Zn2ReAs.
The XRD pattern shows main peaks at: 24.6°(0.2), 28.4°(0.09), 40.7°(1.0), 48.1°(0.11), 58.8°(0.17), 74.0°(0.36), 88.0°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-75583 | 4.44 4.44 4.44
60 60 60
Zn 0.000 0.000 0.000
Zn 0.750 0.750 0.750
Re 0.250 0.250 0.250
As 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: InNi3.
The XRD pattern shows main peaks at: 28.7°(0.15), 39.0°(0.26), 42.9°(0.28), 44.7°(1.0), 59.4°(0.14), 70.7°(0.12), 79.9°(0.17), 86.4°(0.14), 87.5°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-149894 | 5.33 5.33 4.21
90 90 119
In 0.334 0.666 0.250
In 0.666 0.334 0.750
Ni 0.844 0.687 0.250
Ni 0.313 0.156 0.250
Ni 0.844 0.156 0.250
Ni 0.156 0.313 0.750
Ni 0.687 0.844 0.750
Ni 0.156 0.844 0.750 |
Below is a description of a material. | The chemical formula is: Er3Ge.
The XRD pattern shows main peaks at: 21.9°(0.08), 33.6°(1.0), 35.6°(0.23), 40.7°(0.3), 55.2°(0.24), 58.9°(0.1), 62.7°(0.18), 69.5°(0.25), 70.7°(0.12), 89.4°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-106245 | 5.94 5.94 5.94
136 136 63
Er 0.750 0.250 0.500
Er 0.250 0.750 0.500
Er 0.500 0.500 -0.000
Ge 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Tm2RuPt.
The XRD pattern shows main peaks at: 37.6°(1.0), 54.2°(0.18), 67.8°(0.34), 80.2°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-40007 | 4.79 4.79 4.79
60 60 60
Tm 0.000 0.000 0.000
Tm 0.500 0.500 0.500
Ru 0.750 0.750 0.750
Pt 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: CaLaZn2.
The XRD pattern shows main peaks at: 20.8°(0.19), 34.2°(1.0), 40.4°(0.11), 49.2°(0.18), 61.3°(0.36), 72.1°(0.11), 82.3°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-40873 | 5.24 5.24 5.24
60 60 60
Ca 0.250 0.250 0.250
La 0.750 0.750 0.750
Zn 0.500 0.500 0.500
Zn 1.000 1.000 1.000 |
Below is a description of a material. | The chemical formula is: Si3Rh5.
The XRD pattern shows main peaks at: 29.6°(0.21), 30.6°(0.18), 33.2°(0.79), 37.5°(0.19), 38.5°(0.4), 41.6°(1.0), 42.4°(0.37), 44.4°(0.37), 46.7°(0.52), 51.4°(0.16), 52.7°(0.07), 56.9°(0.07), 61.4°(0.08), 62.0°(0.14), 64.9°(0.2), 72.0°(0.13), 73.7°(0.32), 74.9°(0.08), 76.8°(0.07), 83.2°(... | JVASP-23442 | 3.89 5.41 10.39
90 90 90
Si 0.500 0.090 0.656
Si 0.500 0.910 0.344
Si 0.500 0.590 0.844
Si 0.500 0.410 0.156
Si 0.000 0.500 0.500
Si 0.000 0.000 0.000
Rh 0.500 0.336 0.392
Rh 0.500 0.664 0.608
Rh 0.500 0.836 0.108
Rh 0.500 0.164 0.892
Rh 0.000 0.337 0.712
Rh 0.000 0.663 0.288
Rh 0.000 0.837 0.788
Rh 0.000 0.163 0.212
R... |
Below is a description of a material. | The chemical formula is: AgAu2.
The XRD pattern shows main peaks at: 20.9°(0.1), 32.2°(0.45), 36.7°(1.0), 49.6°(0.82), 66.1°(0.17), 67.4°(0.05), 75.4°(0.24), 78.0°(0.11), 79.3°(0.22), 86.9°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-135952 | 4.90 2.78 4.90
90 119 90
Ag 0.467 0.000 0.133
Au -0.200 0.000 -0.200
Au 0.133 0.000 0.467 |
Below is a description of a material. | The chemical formula is: BaH4Br2O2.
The XRD pattern shows main peaks at: 15.5°(0.22), 17.0°(0.2), 23.2°(0.3), 25.1°(0.17), 27.7°(0.08), 30.5°(0.35), 31.0°(1.0), 34.4°(0.1), 34.9°(0.1), 36.0°(0.15), 37.3°(0.21), 39.9°(0.14), 43.2°(0.12), 44.0°(0.11), 50.7°(0.08), 52.2°(0.13), 53.9°(0.11), 58.4°(0.1), 58.8°(0.08), 64.0°(... | JVASP-52874 | 6.34 6.34 8.37
70 109 112
Ba 0.899 0.899 0.750
Ba 0.101 0.101 0.250
H 0.605 0.753 0.368
H 0.395 0.247 0.632
H 0.247 0.395 0.868
H 0.753 0.605 0.132
H 0.590 0.767 0.050
H 0.233 0.410 0.550
H 0.410 0.233 0.950
H 0.767 0.590 0.450
Br 0.742 0.305 0.852
Br 0.305 0.742 0.648
Br 0.258 0.695 0.148
Br 0.695 0.258 0.352
O 0.749 ... |
Below is a description of a material. | The chemical formula is: Fe3PtN.
The XRD pattern shows main peaks at: 23.1°(0.34), 32.9°(0.45), 40.6°(1.0), 47.2°(0.54), 53.2°(0.17), 58.7°(0.16), 69.0°(0.34), 73.8°(0.08), 78.6°(0.08), 83.2°(0.34), 87.8°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-55136 | 3.85 3.85 3.85
90 90 90
Fe 0.000 0.500 0.500
Fe 0.500 0.000 0.500
Fe 0.500 0.500 0.000
Pt 0.000 0.000 0.000
N 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: LuTe.
The XRD pattern shows main peaks at: 29.6°(1.0), 42.4°(0.82), 52.6°(0.3), 61.5°(0.12), 69.8°(0.38), 77.6°(0.28).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-19642 | 4.26 4.26 4.26
60 60 60
Lu 0.000 0.000 0.000
Te 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: SrGaCu2.
The XRD pattern shows main peaks at: 16.8°(0.46), 24.7°(0.18), 26.5°(0.12), 33.1°(0.72), 34.0°(0.37), 37.3°(0.33), 42.2°(1.0), 45.7°(0.19), 54.7°(0.16), 55.3°(0.5), 57.6°(0.09), 63.9°(0.25), 77.2°(0.16), 79.6°(0.13).
Generate atomic structure description with lattice lengths, angles, c... | JVASP-8719 | 5.83 5.83 5.83
43 43 43
Sr 0.000 0.000 0.000
Ga 0.500 0.500 0.500
Cu 0.192 0.192 0.192
Cu 0.808 0.808 0.808 |
Below is a description of a material. | The chemical formula is: BaSe.
The XRD pattern shows main peaks at: 16.6°(1.0), 19.6°(0.08), 25.8°(0.08), 27.9°(0.57), 32.6°(0.74), 33.5°(0.16), 39.8°(0.19), 43.4°(0.31), 44.2°(0.31), 53.0°(0.17), 57.6°(0.07), 59.4°(0.13), 60.4°(0.13), 65.2°(0.1), 66.9°(0.09), 67.8°(0.18), 68.4°(0.08), 75.4°(0.12), 77.4°(0.06), 87.4°(0... | JVASP-119968 | 4.52 4.52 5.34
90 90 90
Ba 0.000 0.000 0.000
Se 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: U2PS.
The XRD pattern shows main peaks at: 27.9°(1.0), 32.4°(0.85), 46.4°(0.7), 55.0°(0.44), 57.7°(0.19), 67.7°(0.08), 77.1°(0.21), 86.1°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-166567 | 7.82 10.35 6.78
29 54 40
U -0.000 0.500 0.500
U 0.500 0.500 0.500
U 0.250 0.000 0.500
U 0.750 1.000 0.500
P 0.250 0.500 1.000
P 0.500 1.000 0.000
S 0.000 0.000 1.000
S 0.750 0.500 0.000 |
Below is a description of a material. | The chemical formula is: Na3TmBr6.
The XRD pattern shows main peaks at: 14.2°(0.64), 15.1°(0.41), 16.7°(0.29), 17.1°(0.57), 24.7°(0.21), 27.8°(1.0), 28.3°(0.74), 29.0°(0.56), 30.7°(0.19), 31.4°(0.29), 34.5°(0.35), 37.4°(0.36), 38.1°(0.27), 38.4°(0.25), 41.3°(0.4), 43.5°(0.32), 43.8°(0.26), 49.3°(0.2), 50.6°(0.18), 51.3... | JVASP-144611 | 7.66 7.07 12.70
56 90 90
Na 0.500 0.500 0.000
Na 0.000 0.500 0.500
Na 0.097 0.706 0.755
Na 0.903 0.294 0.245
Na 0.597 0.294 0.745
Na 0.403 0.706 0.255
Tm 0.500 -0.000 0.500
Tm 0.000 0.000 0.000
Br 0.677 0.390 0.429
Br 0.323 0.610 0.571
Br 0.055 0.908 0.240
Br 0.945 0.092 0.760
Br 0.555 0.092 0.260
Br 0.190 0.240 0.424
... |
Below is a description of a material. | The chemical formula is: UAl3.
The XRD pattern shows main peaks at: 20.9°(1.0), 29.7°(0.82), 36.6°(0.77), 42.5°(0.35), 47.9°(0.46), 52.8°(0.35), 61.7°(0.24), 65.9°(0.22), 70.0°(0.16), 74.0°(0.32), 77.9°(0.09), 81.7°(0.11), 85.5°(0.21).
Generate atomic structure description with lattice lengths, angles, coordinates and ... | JVASP-125560 | 4.25 4.25 4.25
90 90 90
U 0.000 0.000 0.000
Al 0.000 0.500 0.500
Al 0.500 0.000 0.500
Al 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: TiCl3.
The XRD pattern shows main peaks at: 12.9°(1.0), 24.6°(0.08), 27.9°(0.19), 36.1°(0.71), 43.4°(0.37), 45.5°(0.18), 47.0°(0.06), 53.4°(0.06), 57.7°(0.15), 60.0°(0.06), 71.2°(0.14), 74.9°(0.12), 79.6°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-134590 | 4.17 4.17 6.86
90 90 119
Ti 0.667 0.333 0.000
Cl 0.333 0.667 0.756
Cl 0.000 0.000 0.000
Cl 0.333 0.667 0.244 |
Below is a description of a material. | The chemical formula is: Y3Ge5.
The XRD pattern shows main peaks at: 29.2°(0.36), 33.6°(1.0), 36.5°(0.08), 39.4°(0.55), 40.6°(0.06), 42.1°(0.07), 44.3°(0.47), 51.5°(0.19), 60.7°(0.19), 70.2°(0.16), 74.6°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-163973 | 5.78 7.48 9.16
82 71 67
Y 0.745 0.510 0.500
Y 0.495 0.010 0.000
Y 0.156 0.993 0.665
Y 0.850 0.993 0.335
Y 0.436 0.493 0.165
Y 0.071 0.493 0.835
Ge 0.400 0.701 0.873
Ge 0.899 0.701 0.127
Ge 0.276 0.201 0.373
Ge 0.523 0.201 0.627
Ge 0.670 0.336 0.825
Ge 0.995 0.336 0.175
Ge 0.943 0.114 0.000
Ge 0.193 0.614 0.500
Ge 0.745... |
Below is a description of a material. | The chemical formula is: Be2CuOs.
The XRD pattern shows main peaks at: 11.7°(1.0), 12.4°(0.16), 13.5°(0.36), 14.1°(0.11), 19.2°(0.15), 20.9°(0.11), 22.5°(0.22), 23.5°(0.2), 24.0°(0.3), 25.0°(0.13), 27.2°(0.07), 28.5°(0.1), 29.7°(0.11), 30.9°(0.16), 31.7°(0.14), 33.5°(0.08), 35.6°(0.14).
Generate atomic structure descri... | JVASP-80606 | 8.50 9.08 9.08
61 62 62
Be 0.749 0.000 -0.000
Be 0.251 -0.000 0.000
Cu 0.000 0.000 0.000
Os 0.500 0.000 0.000 |
Below is a description of a material. | The chemical formula is: CaMgBe.
The XRD pattern shows main peaks at: 22.1°(0.38), 32.7°(1.0), 38.8°(0.47), 45.1°(0.05), 48.8°(0.08), 51.7°(0.26), 54.2°(0.06), 64.0°(0.2), 66.5°(0.23), 70.3°(0.07), 80.8°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-68306 | 4.64 4.64 3.73
90 90 120
Ca 0.667 0.333 0.333
Mg 0.333 0.667 0.833
Be 0.000 0.000 0.833 |
Below is a description of a material. | The chemical formula is: Y2ScAu.
The XRD pattern shows main peaks at: 21.0°(0.3), 34.6°(1.0), 40.8°(0.16), 49.8°(0.18), 54.6°(0.08), 62.0°(0.33), 66.3°(0.06), 73.0°(0.1), 77.0°(0.06), 83.4°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-182376 | 5.18 5.18 5.18
60 60 60
Y 0.250 0.250 0.250
Y 0.750 0.750 0.750
Sc -0.000 0.000 -0.000
Au 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: K2Pb2O3.
The XRD pattern shows main peaks at: 21.1°(0.65), 30.0°(1.0), 36.9°(0.17), 42.9°(0.24), 48.2°(0.32), 53.2°(0.4), 62.3°(0.12), 70.6°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-12331 | 7.31 7.31 7.31
109 109 109
K 0.446 0.500 -0.000
K 0.054 0.054 0.054
K -0.000 0.446 0.500
K 0.500 0.000 0.446
Pb 0.500 0.000 0.979
Pb -0.000 0.979 0.500
Pb 0.521 0.521 0.521
Pb 0.979 0.500 -0.000
O 0.750 0.956 0.206
O 0.250 0.544 0.294
O 0.956 0.206 0.750
O 0.206 0.750 0.956
O 0.294 0.250 0.544
O 0.544 0.294 0.250 |
Below is a description of a material. | The chemical formula is: LiMn2O2F3.
The XRD pattern shows main peaks at: 19.0°(1.0), 26.8°(0.14), 27.6°(0.3), 30.5°(0.06), 33.3°(0.3), 35.5°(0.29), 36.8°(0.09), 38.5°(0.2), 40.4°(0.1), 42.7°(0.08), 43.2°(0.07), 43.8°(0.09), 51.2°(0.14), 51.9°(0.39), 55.7°(0.19), 61.8°(0.16), 63.4°(0.05), 67.0°(0.06), 68.5°(0.06), 82.3°... | JVASP-145577 | 5.38 5.73 7.01
69 90 62
Li 0.000 1.000 0.500
Li 0.000 1.000 -0.000
Mn 0.393 0.233 0.797
Mn 0.374 0.233 0.297
Mn 0.626 0.767 0.703
Mn 0.607 0.767 0.203
O 0.709 0.837 0.938
O 0.453 0.837 0.438
O 0.547 0.163 0.562
O 0.291 0.163 0.062
F 0.175 1.000 0.750
F 0.825 0.000 0.250
F 0.067 0.603 0.660
F 0.670 0.397 0.840
F 0.330 0... |
Below is a description of a material. | The chemical formula is: NaCuO2.
The XRD pattern shows main peaks at: 23.8°(0.38), 27.5°(0.42), 33.9°(0.28), 36.7°(1.0), 48.7°(0.4), 54.9°(0.07), 56.8°(0.27), 62.4°(0.41), 67.7°(0.07), 71.3°(0.11), 78.0°(0.2), 82.9°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-109902 | 3.74 3.74 3.25
90 90 90
Na 0.500 0.500 0.500
Cu 0.000 0.000 0.000
O 0.000 0.500 0.000
O 0.500 0.000 0.000 |
Below is a description of a material. | The chemical formula is: TiVPt2.
The XRD pattern shows main peaks at: 22.8°(0.33), 32.5°(0.28), 40.0°(1.0), 46.5°(0.43), 52.4°(0.17), 57.8°(0.13), 67.9°(0.29), 72.7°(0.07), 77.3°(0.05), 81.8°(0.3), 86.3°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-190122 | 3.91 3.90 3.90
90 90 90
Ti 0.500 0.500 0.500
Pt -0.000 -0.000 0.500
Pt -0.000 0.500 -0.000
V 0.500 -0.000 -0.000 |
Below is a description of a material. | The chemical formula is: AlNO2.
The XRD pattern shows main peaks at: 24.2°(0.84), 30.3°(1.0), 34.6°(0.31), 36.5°(0.69), 48.1°(0.14), 50.3°(0.21), 52.5°(0.69), 56.6°(0.09), 61.2°(0.06), 63.0°(0.06), 64.6°(0.14), 68.0°(0.07), 70.4°(0.37), 73.0°(0.1), 75.1°(0.08), 76.2°(0.09), 77.9°(0.06), 81.9°(0.06), 86.1°(0.08).
Genera... | JVASP-121176 | 4.04 4.04 4.04
138 108 86
Al -0.048 -0.048 -0.000
N 0.642 0.642 -0.000
O 0.750 0.503 0.248
O 0.255 0.503 0.752 |
Below is a description of a material. | The chemical formula is: LuUTc2.
The XRD pattern shows main peaks at: 26.5°(0.15), 37.9°(1.0), 54.6°(0.2), 68.4°(0.37), 80.9°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-41592 | 4.75 4.75 4.75
60 59 60
Lu 0.250 0.250 0.250
U 0.750 0.750 0.750
Tc 1.000 0.000 0.000
Tc 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: DyCrO3.
The XRD pattern shows main peaks at: 23.3°(0.26), 26.1°(0.27), 32.1°(0.19), 33.3°(1.0), 34.2°(0.42), 40.2°(0.07), 41.9°(0.13), 43.0°(0.11), 47.6°(0.18), 48.2°(0.14), 48.7°(0.1), 49.2°(0.17), 53.7°(0.23), 59.0°(0.07), 60.7°(0.25), 64.8°(0.12), 70.0°(0.09), 75.7°(0.06), 84.7°(0.06), 88.4°... | JVASP-89054 | 5.25 5.58 7.56
90 90 90
Dy 0.980 0.071 0.250
Dy 0.520 0.571 0.250
Dy 0.020 0.929 0.750
Dy 0.480 0.429 0.750
Cr 0.500 0.000 0.000
Cr 0.000 0.500 0.000
Cr 0.000 0.500 0.500
Cr 0.500 0.000 0.500
O 0.891 0.536 0.750
O 0.391 0.964 0.250
O 0.691 0.303 0.445
O 0.691 0.303 0.055
O 0.191 0.197 0.945
O 0.809 0.803 0.445
O 0.309 ... |
Below is a description of a material. | The chemical formula is: NbTcMoW.
The XRD pattern shows main peaks at: 24.2°(0.07), 40.1°(1.0), 58.0°(0.17), 72.9°(0.32), 86.6°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-190216 | 4.50 4.50 4.50
60 60 60
Mo 0.250 0.250 0.250
Nb 0.500 0.500 0.500
Tc 0.750 0.750 0.750
W 0.000 -0.000 0.000 |
Below is a description of a material. | The chemical formula is: TbMnSi.
The XRD pattern shows main peaks at: 25.8°(1.0), 32.0°(0.44), 34.1°(0.97), 34.5°(0.67), 38.4°(0.28), 41.2°(0.62), 45.9°(0.54), 50.8°(0.09), 53.4°(0.31), 57.4°(0.28), 58.4°(0.43), 61.3°(0.27), 62.4°(0.1), 66.9°(0.18), 71.2°(0.09), 76.4°(0.24), 77.5°(0.12), 79.9°(0.13), 81.7°(0.18), 88.9°... | JVASP-17843 | 3.96 3.96 7.03
90 90 90
Tb 0.000 0.500 0.669
Tb 0.500 0.000 0.331
Mn 0.000 0.000 0.000
Mn 0.500 0.500 0.000
Si 0.500 0.000 0.798
Si 0.000 0.500 0.202 |
Below is a description of a material. | The chemical formula is: BaH2Br.
The XRD pattern shows main peaks at: 14.3°(0.07), 20.1°(1.0), 24.7°(0.05), 28.5°(0.41), 35.4°(0.48), 41.0°(0.33), 45.9°(0.23), 50.8°(0.16), 55.1°(0.26), 59.1°(0.06), 63.8°(0.08), 67.0°(0.11), 67.6°(0.07), 70.8°(0.06), 74.5°(0.11), 78.5°(0.1), 85.1°(0.08).
Generate atomic structure descr... | JVASP-115541 | 4.42 4.42 6.19
90 90 90
Ba 0.500 0.500 0.000
H 0.000 0.000 0.938
H 0.000 0.000 0.062
Br 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: GaNO.
The XRD pattern shows main peaks at: 26.2°(1.0), 28.2°(0.71), 38.8°(0.63), 49.9°(0.41), 53.9°(0.11), 57.2°(0.55), 58.2°(0.1), 61.9°(0.18), 64.9°(0.15), 76.4°(0.2), 83.3°(0.07), 86.1°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-114278 | 3.66 3.66 3.40
90 90 120
Ga 0.000 0.000 0.000
N 0.333 0.667 0.000
O 0.667 0.333 0.000 |
Below is a description of a material. | The chemical formula is: TlHg.
The XRD pattern shows main peaks at: 29.3°(0.26), 33.1°(0.23), 33.8°(1.0), 44.8°(0.16), 52.0°(0.21), 59.6°(0.22), 63.0°(0.23), 63.4°(0.18), 83.0°(0.09), 86.4°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-127249 | 3.52 3.52 5.41
90 90 120
Tl 0.667 0.333 0.750
Hg 0.333 0.667 0.250 |
Below is a description of a material. | The chemical formula is: PHN.
The XRD pattern shows main peaks at: 31.6°(1.0), 32.5°(0.96), 46.0°(0.65), 56.2°(0.46), 65.9°(0.11), 66.5°(0.56), 68.1°(0.08), 75.5°(0.16), 77.1°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-136747 | 3.27 3.27 2.75
90 90 120
P 0.667 0.333 0.000
H 0.000 0.000 0.000
N 0.333 0.667 0.000 |
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