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: NbTlBr3.
The XRD pattern shows main peaks at: 22.3°(0.31), 23.4°(0.16), 23.9°(0.16), 24.9°(0.27), 27.1°(0.18), 28.9°(0.45), 31.3°(0.25), 33.7°(1.0), 36.1°(0.13), 38.6°(0.13), 39.6°(0.08), 40.5°(0.09), 41.4°(0.14), 45.6°(0.22), 47.8°(0.14), 49.0°(0.08), 51.1°(0.18), 58.3°(0.08), 59.8°(0.12), 61.... | JVASP-179807 | 5.35 5.35 5.38
95 95 90
Nb 0.469 0.471 0.464
Tl 0.026 0.027 0.989
Br 0.470 -0.016 0.556
Br 0.544 0.547 -0.005
Br 0.981 0.471 0.556 |
Below is a description of a material. | The chemical formula is: CeBi.
The XRD pattern shows main peaks at: 32.3°(1.0), 46.3°(0.19), 57.5°(0.36), 67.5°(0.12), 76.8°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-51554 | 3.92 3.92 3.92
90 90 90
Ce 0.000 0.000 0.000
Bi 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Na2HF4.
The XRD pattern shows main peaks at: 20.7°(0.36), 30.0°(0.06), 31.9°(0.43), 32.6°(1.0), 45.1°(0.26), 46.4°(0.47), 51.7°(0.44), 55.6°(0.07), 58.0°(0.22), 59.3°(0.1), 62.2°(0.1), 62.7°(0.07), 71.2°(0.11), 82.7°(0.07), 85.6°(0.08).
Generate atomic structure description with lattice lengths... | JVASP-31179 | 4.70 3.52 6.04
90 111 90
Na 0.000 0.000 0.000
Na 0.500 0.500 0.500
H 0.500 0.500 -0.000
F 0.851 0.000 0.582
F 0.334 0.500 0.098
F 0.666 0.500 0.902
F 0.149 0.000 0.418 |
Below is a description of a material. | The chemical formula is: LaFe2P2.
The XRD pattern shows main peaks at: 24.7°(0.5), 32.6°(0.25), 33.2°(0.07), 33.9°(0.88), 37.1°(1.0), 47.6°(0.52), 58.9°(0.18), 59.7°(0.32), 61.1°(0.36), 68.2°(0.05), 69.6°(0.13), 81.6°(0.07), 87.4°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates an... | JVASP-86953 | 3.82 3.82 6.13
108 108 89
La 0.000 0.000 0.000
Fe 0.250 0.750 0.500
Fe 0.750 0.250 0.500
P 0.650 0.650 0.299
P 0.350 0.350 0.701 |
Below is a description of a material. | The chemical formula is: Zn4Ni5Ge.
The XRD pattern shows main peaks at: 43.3°(0.52), 44.4°(1.0), 63.0°(0.15), 80.2°(0.29).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-103031 | 2.95 2.95 14.12
90 90 90
Zn 0.000 0.000 0.204
Zn 0.000 0.000 0.401
Zn 0.000 0.000 0.599
Zn 0.000 0.000 0.796
Ni 0.500 0.500 0.097
Ni 0.500 0.500 0.302
Ni 0.500 0.500 0.500
Ni 0.500 0.500 0.698
Ni 0.500 0.500 0.903
Ge 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: MoH4O.
The XRD pattern shows main peaks at: 24.8°(1.0), 28.5°(0.72), 35.4°(0.4), 46.1°(0.37), 50.9°(0.13), 52.7°(0.22), 57.4°(0.18), 59.1°(0.15), 71.1°(0.11), 74.0°(0.06), 76.3°(0.14), 82.0°(0.07), 84.8°(0.08), 85.6°(0.06).
Generate atomic structure description with lattice lengths, angles, coo... | JVASP-136734 | 4.10 4.10 4.10
103 103 122
Mo 0.941 0.941 -0.000
H 0.105 0.426 0.323
H 0.782 0.105 0.679
H 0.426 0.103 0.321
H 0.103 0.782 0.677
O 0.503 0.503 -0.000 |
Below is a description of a material. | The chemical formula is: HfMnBe2.
The XRD pattern shows main peaks at: 16.3°(0.53), 30.1°(1.0), 33.0°(0.4), 34.4°(0.49), 43.0°(0.49), 45.3°(0.81), 46.3°(0.19), 55.3°(0.4), 59.9°(0.08), 62.5°(0.16), 65.1°(0.07), 68.5°(0.07), 69.3°(0.05), 70.9°(0.18), 72.5°(0.17), 73.3°(0.12), 77.4°(0.15), 80.5°(0.28), 85.2°(0.12).
Gener... | JVASP-71412 | 2.97 2.97 5.42
90 90 90
Hf 0.500 0.500 0.000
Mn 0.500 0.500 0.500
Be 0.000 0.000 0.687
Be 0.000 0.000 0.313 |
Below is a description of a material. | The chemical formula is: VO2F.
The XRD pattern shows main peaks at: 20.4°(0.34), 25.3°(1.0), 25.6°(0.66), 30.3°(0.41), 35.0°(0.11), 36.0°(0.14), 38.2°(0.06), 41.7°(0.11), 42.9°(0.05), 43.5°(0.06), 44.3°(0.13), 50.7°(0.09), 51.2°(0.08), 60.7°(0.1), 63.0°(0.07).
Generate atomic structure description with lattice lengths,... | JVASP-141566 | 5.51 5.91 7.06
88 90 90
V 0.412 0.749 0.732
V 0.088 0.249 0.732
V 0.588 0.251 0.268
V 0.912 0.751 0.268
O 0.753 0.004 0.208
O 0.253 0.496 0.792
O 0.747 0.504 0.208
O 0.247 -0.004 0.792
O -0.026 0.747 0.490
O 0.474 0.753 0.510
O 0.526 0.247 0.490
O 0.026 0.253 0.510
F 0.807 0.251 0.851
F 0.693 0.751 0.851
F 0.193 0.749 ... |
Below is a description of a material. | The chemical formula is: Ag3Ru.
The XRD pattern shows main peaks at: 38.4°(1.0), 44.7°(0.54), 65.1°(0.31), 78.2°(0.39), 82.4°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-128962 | 4.06 4.06 4.06
90 90 90
Ag 0.000 0.500 0.500
Ag 0.500 0.000 0.500
Ag 0.500 0.500 0.000
Ru 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: LiRh2W.
The XRD pattern shows main peaks at: 13.8°(0.53), 33.8°(0.43), 41.9°(1.0), 44.1°(0.42), 46.4°(0.11), 57.3°(0.09), 62.6°(0.12), 64.1°(0.14), 74.5°(0.09), 75.0°(0.16), 79.6°(0.29), 81.9°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-189749 | 2.91 2.91 6.43
90 90 90
Rh 0.000 0.000 0.981
Rh -0.000 -0.000 0.519
W 0.500 0.500 0.250
Li 0.500 0.500 0.750 |
Below is a description of a material. | The chemical formula is: NaMgCd2.
The XRD pattern shows main peaks at: 14.6°(1.0), 29.4°(0.46), 31.3°(0.41), 32.7°(0.78), 34.6°(0.24), 36.0°(0.46), 43.4°(0.32), 44.5°(0.59), 56.6°(0.14), 59.3°(0.06), 65.0°(0.19), 67.5°(0.08), 68.5°(0.08), 73.1°(0.06).
Generate atomic structure description with lattice lengths, angles, ... | JVASP-76775 | 12.17 6.90 6.90
26 28 28
Na 0.000 0.000 0.000
Mg 0.500 -0.000 0.000
Cd 0.739 -0.000 0.000
Cd 0.261 0.000 -0.000 |
Below is a description of a material. | The chemical formula is: MnZnO3.
The XRD pattern shows main peaks at: 34.2°(1.0), 42.3°(0.11), 49.2°(0.43), 61.3°(0.37), 72.1°(0.23), 82.3°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-36634 | 3.70 3.70 3.70
90 90 90
Mn 0.500 0.500 0.500
Zn 0.000 0.000 0.000
O 0.500 0.500 0.000
O 0.500 0.000 0.500
O 0.000 0.500 0.500 |
Below is a description of a material. | The chemical formula is: VCoSi.
The XRD pattern shows main peaks at: 19.8°(0.14), 32.1°(0.15), 39.6°(1.0), 40.2°(0.13), 41.7°(0.72), 42.5°(0.25), 47.5°(0.5), 50.0°(0.19), 50.5°(0.12), 51.4°(0.4), 53.3°(0.14), 54.6°(0.08), 68.8°(0.12), 72.7°(0.16), 74.5°(0.08), 74.9°(0.07), 77.2°(0.08), 78.7°(0.19), 87.4°(0.13), 89.0°(0... | JVASP-151871 | 3.55 5.96 6.82
90 90 90
V 0.250 0.025 0.322
V 0.750 0.475 0.822
V 0.750 0.975 0.678
V 0.250 0.525 0.178
Co 0.250 0.143 0.939
Co 0.750 0.357 0.439
Co 0.750 0.857 0.061
Co 0.250 0.643 0.561
Si 0.250 0.267 0.623
Si 0.750 0.233 0.123
Si 0.750 0.733 0.377
Si 0.250 0.767 0.877 |
Below is a description of a material. | The chemical formula is: ZrNb2Ga2.
The XRD pattern shows main peaks at: 29.1°(0.12), 31.8°(0.18), 35.8°(1.0), 43.6°(0.28), 44.3°(0.24), 46.7°(0.37), 56.0°(0.12), 57.6°(0.11), 65.8°(0.16), 66.3°(0.07), 68.2°(0.12), 79.5°(0.22), 85.0°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates ... | JVASP-155739 | 6.72 6.72 6.72
146 146 48
Zr 0.000 0.000 0.000
Nb 0.750 0.250 0.500
Nb 0.250 0.750 0.500
Ga 0.404 0.404 -0.000
Ga 0.596 0.596 -0.000 |
Below is a description of a material. | The chemical formula is: BaAgO2.
The XRD pattern shows main peaks at: 29.4°(0.41), 31.9°(1.0), 42.0°(0.29), 49.3°(0.09), 53.7°(0.45), 58.4°(0.13), 60.9°(0.09), 66.7°(0.14), 69.0°(0.08), 70.4°(0.1), 81.2°(0.07), 82.0°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-90435 | 3.70 6.09 6.09
89 89 89
Ba 0.000 0.500 -0.000
Ba 0.000 0.000 0.500
Ag 0.500 -0.000 0.000
Ag 0.500 0.500 0.500
O 0.500 0.250 0.750
O 0.500 0.750 0.250
O 0.500 0.250 0.250
O 0.500 0.750 0.750 |
Below is a description of a material. | The chemical formula is: ScAlPd2.
The XRD pattern shows main peaks at: 28.0°(0.33), 40.0°(1.0), 49.5°(0.09), 57.8°(0.16), 72.6°(0.32), 86.3°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-17428 | 4.51 4.51 4.51
60 60 60
Sc 0.500 0.500 0.500
Al 0.000 0.000 0.000
Pd 0.250 0.250 0.250
Pd 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: TbBa2ReO6.
The XRD pattern shows main peaks at: 29.9°(1.0), 42.8°(0.28), 53.1°(0.39), 62.1°(0.18), 70.4°(0.17), 78.4°(0.06), 86.1°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-21963 | 5.98 5.98 5.98
60 60 60
Tb 0.500 0.500 0.500
Ba 0.250 0.250 0.250
Ba 0.750 0.750 0.750
Re 0.000 0.000 0.000
O 0.234 0.766 0.766
O 0.234 0.766 0.234
O 0.766 0.234 0.766
O 0.234 0.234 0.766
O 0.766 0.234 0.234
O 0.766 0.766 0.234 |
Below is a description of a material. | The chemical formula is: VGaCo2.
The XRD pattern shows main peaks at: 44.6°(1.0), 64.9°(0.15), 82.1°(0.3).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-18302 | 4.07 4.07 4.07
60 60 60
V 0.500 0.500 0.500
Ga 0.000 0.000 0.000
Co 0.750 0.750 0.750
Co 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: Ba2UGeO6.
The XRD pattern shows main peaks at: 17.7°(0.18), 29.1°(1.0), 41.6°(0.3), 51.6°(0.38), 60.3°(0.19), 68.3°(0.19), 75.9°(0.06), 83.3°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-99395 | 6.14 6.14 6.14
60 60 60
Ba 0.250 0.250 0.250
Ba 0.750 0.750 0.750
U 0.500 0.500 0.500
Ge 0.000 0.000 0.000
O 0.741 0.259 0.259
O 0.259 0.741 0.741
O 0.259 0.741 0.259
O 0.741 0.259 0.741
O 0.259 0.259 0.741
O 0.741 0.741 0.259 |
Below is a description of a material. | The chemical formula is: NaHC2.
The XRD pattern shows main peaks at: 35.0°(1.0), 35.5°(0.56), 39.7°(0.98), 50.7°(0.49), 51.0°(0.63), 63.4°(0.51), 65.9°(0.21), 73.9°(0.06), 75.1°(0.16), 84.7°(0.08), 85.6°(0.2), 88.5°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-114679 | 2.53 2.53 5.13
90 90 90
Na 0.500 0.500 0.690
H 0.000 0.000 0.929
C 0.000 0.000 0.161
C 0.500 0.500 0.230 |
Below is a description of a material. | The chemical formula is: Tb2Co17.
The XRD pattern shows main peaks at: 26.0°(0.05), 31.1°(0.39), 32.3°(0.1), 37.7°(0.42), 39.1°(0.35), 43.8°(0.64), 44.2°(1.0), 45.1°(0.43), 49.6°(0.2), 64.2°(0.1), 64.7°(0.24), 72.6°(0.15), 80.6°(0.16), 82.7°(0.11).
Generate atomic structure description with lattice lengths, angles, coo... | JVASP-155019 | 6.23 6.23 6.23
82 82 82
Tb 0.344 0.344 0.344
Tb 0.656 0.656 0.656
Co 0.097 0.097 0.097
Co 0.903 0.903 0.903
Co 0.654 0.654 0.150
Co 0.654 0.150 0.654
Co 0.150 0.654 0.654
Co 0.346 0.346 0.850
Co 0.850 0.346 0.346
Co 0.000 0.500 0.000
Co 0.000 0.711 0.289
Co 0.289 -0.000 0.711
Co 0.289 0.711 0.000
Co 0.000 0.289 0.711
C... |
Below is a description of a material. | The chemical formula is: ZrPRh.
The XRD pattern shows main peaks at: 18.0°(0.1), 27.5°(0.1), 29.6°(0.25), 36.4°(1.0), 38.2°(0.68), 38.8°(0.31), 43.4°(0.39), 45.8°(0.27), 47.7°(0.37), 48.3°(0.13), 61.5°(0.08), 61.9°(0.08), 63.0°(0.22), 66.3°(0.16), 67.4°(0.09), 68.3°(0.1), 70.2°(0.08), 70.9°(0.27), 78.2°(0.14), 81.2°(0.... | JVASP-152393 | 3.82 6.55 7.46
90 90 90
Zr 0.250 0.028 0.819
Zr 0.750 0.472 0.319
Zr 0.750 0.972 0.181
Zr 0.250 0.528 0.681
P 0.250 0.758 0.377
P 0.750 0.742 0.877
P 0.750 0.242 0.623
P 0.250 0.258 0.123
Rh 0.250 0.145 0.438
Rh 0.750 0.355 0.938
Rh 0.750 0.855 0.562
Rh 0.250 0.645 0.062 |
Below is a description of a material. | The chemical formula is: TiIn3.
The XRD pattern shows main peaks at: 23.0°(0.09), 35.4°(1.0), 37.2°(0.21), 42.9°(0.3), 58.0°(0.23), 62.3°(0.1), 65.8°(0.15), 73.7°(0.23), 74.8°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-178930 | 4.22 4.22 5.68
111 111 90
Ti 0.000 0.000 -0.000
In 0.250 0.750 0.500
In 0.750 0.250 0.500
In 0.500 0.500 -0.000 |
Below is a description of a material. | The chemical formula is: NaN.
The XRD pattern shows main peaks at: 30.8°(0.51), 42.4°(1.0), 54.8°(0.25), 58.6°(0.07), 67.7°(0.09), 71.7°(0.15), 84.5°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-126240 | 3.35 3.35 3.15
90 90 120
Na 0.333 0.667 0.250
N 0.667 0.333 0.750 |
Below is a description of a material. | The chemical formula is: NaClO.
The XRD pattern shows main peaks at: 22.5°(1.0), 29.6°(0.23), 31.8°(0.1), 37.4°(0.27), 39.2°(0.08), 45.2°(0.13), 45.6°(0.13), 51.0°(0.18), 55.6°(0.09), 66.4°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-114775 | 4.60 4.02 3.95
90 90 90
Na 0.742 0.333 0.000
Cl 0.312 -0.168 0.000
O 0.946 0.835 0.000 |
Below is a description of a material. | The chemical formula is: La4Ge3.
The XRD pattern shows main peaks at: 23.3°(0.09), 27.0°(0.12), 30.2°(1.0), 35.9°(0.61), 43.3°(0.06), 45.5°(0.08), 47.6°(0.18), 49.7°(0.32), 61.1°(0.22), 62.8°(0.11), 64.6°(0.14), 74.6°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-153000 | 8.10 8.10 8.10
109 109 109
La -0.000 0.134 0.000
La 0.366 0.366 0.866
La 0.134 0.500 0.500
La 0.500 0.000 0.634
La 0.000 0.634 -0.000
La 0.866 0.866 0.366
La 0.500 0.000 0.134
La 0.634 0.500 0.500
Ge 0.750 0.375 0.125
Ge 0.250 0.125 0.375
Ge 0.375 0.625 0.250
Ge 0.125 0.875 0.750
Ge 0.875 0.250 0.625
Ge 0.625 0.750 0.8... |
Below is a description of a material. | The chemical formula is: Li2CaAs2.
The XRD pattern shows main peaks at: 16.2°(0.19), 22.8°(0.68), 30.3°(1.0), 32.6°(0.92), 34.5°(0.23), 43.3°(0.5), 45.2°(0.3), 46.9°(0.59), 49.5°(0.18), 55.3°(0.42), 62.9°(0.16), 65.7°(0.39), 71.4°(0.18), 72.7°(0.12), 76.9°(0.1), 80.8°(0.11), 82.0°(0.1), 84.8°(0.11), 88.6°(0.09).
Genera... | JVASP-155671 | 6.21 6.21 6.21
140 140 56
Li 0.750 0.250 0.500
Li 0.250 0.750 0.500
Ca 0.000 0.000 0.000
As 0.385 0.385 -0.000
As 0.615 0.615 0.000 |
Below is a description of a material. | The chemical formula is: ThCoC2.
The XRD pattern shows main peaks at: 23.2°(0.15), 24.4°(0.47), 29.1°(0.26), 33.9°(1.0), 37.6°(0.28), 39.7°(0.18), 46.5°(0.09), 47.5°(0.13), 48.9°(0.16), 50.0°(0.15), 54.1°(0.12), 54.8°(0.14), 55.8°(0.16), 56.7°(0.09), 63.6°(0.09), 65.6°(0.08), 68.4°(0.13), 70.5°(0.12), 71.4°(0.1), 79.5°... | JVASP-37061 | 3.83 3.82 3.82
106 90 90
Th 0.000 -0.001 0.001
Co 0.500 0.393 0.607
C 0.500 0.851 0.458
C 0.500 0.542 0.149 |
Below is a description of a material. | The chemical formula is: CoP2O7.
The XRD pattern shows main peaks at: 18.4°(0.61), 23.3°(0.44), 25.2°(0.24), 30.3°(0.71), 31.4°(1.0), 37.2°(0.12), 45.5°(0.36), 46.4°(0.07), 48.9°(0.09), 51.8°(0.13), 52.5°(0.14), 57.7°(0.06), 61.0°(0.13), 64.6°(0.08), 65.5°(0.14), 68.1°(0.07), 74.9°(0.06).
Generate atomic structure desc... | JVASP-52114 | 4.39 4.98 4.98
100 98 98
Co 0.724 0.445 0.947
P 0.132 0.005 0.797
P 0.315 0.595 0.387
O 0.543 0.675 0.196
O 0.006 0.395 0.244
O 0.224 0.887 0.505
O 0.441 0.148 0.997
O 0.996 0.767 0.920
O 0.904 0.196 0.717
O 0.451 0.472 0.625 |
Below is a description of a material. | The chemical formula is: AlGaN.
The XRD pattern shows main peaks at: 17.7°(0.22), 25.9°(1.0), 29.1°(0.2), 31.6°(0.12), 34.0°(0.28), 34.7°(0.28), 35.9°(0.26), 39.4°(0.16), 43.2°(0.31), 43.8°(0.29), 44.8°(0.28), 53.2°(0.12), 54.8°(0.07), 60.4°(0.08), 61.8°(0.1), 64.6°(0.09), 65.1°(0.09), 65.9°(0.09), 66.8°(0.12), 69.2°(0... | JVASP-115089 | 5.81 5.00 3.44
90 90 148
Al 0.337 0.084 0.000
Ga 0.833 0.146 0.000
N 0.830 0.770 0.000 |
Below is a description of a material. | The chemical formula is: K2PrAgF6.
The XRD pattern shows main peaks at: 19.0°(0.6), 27.0°(1.0), 38.5°(0.4), 43.3°(0.28), 47.7°(0.41), 55.7°(0.25), 69.7°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-100675 | 6.61 6.61 6.61
60 60 60
K 0.750 0.750 0.750
K 0.250 0.250 0.250
Pr 0.500 0.500 0.500
Ag 0.000 0.000 0.000
F 0.744 0.256 0.256
F 0.256 0.256 0.744
F 0.256 0.744 0.744
F 0.256 0.744 0.256
F 0.744 0.256 0.744
F 0.744 0.744 0.256 |
Below is a description of a material. | The chemical formula is: Li2VO3.
The XRD pattern shows main peaks at: 19.8°(0.95), 25.0°(1.0), 33.0°(0.36), 40.3°(0.08), 43.9°(0.89), 44.3°(0.23), 46.8°(0.38), 51.3°(0.12), 57.5°(0.21), 58.5°(0.12), 61.1°(0.08), 62.2°(0.13), 65.5°(0.12), 66.2°(0.39), 71.3°(0.08), 80.4°(0.07), 81.3°(0.1), 84.3°(0.09).
Generate atomic st... | JVASP-121167 | 5.08 5.08 2.85
106 106 44
Li 0.825 0.825 0.826
Li 0.175 0.175 0.174
V 0.500 0.500 0.500
O 0.650 0.650 0.150
O 1.000 1.000 0.500
O 0.350 0.350 0.850 |
Below is a description of a material. | The chemical formula is: MgP2.
The XRD pattern shows main peaks at: 17.6°(0.73), 26.9°(0.26), 35.6°(0.06), 36.3°(1.0), 37.0°(0.34), 40.4°(0.17), 40.7°(0.13), 52.2°(0.58), 52.7°(0.15), 55.5°(0.06), 66.1°(0.07), 77.0°(0.11), 88.2°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and ... | JVASP-136993 | 3.50 3.51 5.60
108 107 90
Mg 0.024 0.959 0.039
P 0.422 0.353 0.826
P 0.626 0.565 0.252 |
Below is a description of a material. | The chemical formula is: SbAsF.
The XRD pattern shows main peaks at: 12.1°(0.36), 24.4°(0.32), 30.3°(1.0), 32.8°(0.13), 36.9°(0.22), 39.3°(0.38), 43.4°(0.37), 45.2°(0.06), 48.5°(0.4), 50.4°(0.19), 58.3°(0.22), 63.1°(0.11), 68.7°(0.07), 71.6°(0.15), 72.2°(0.11), 75.4°(0.1), 76.9°(0.11), 80.2°(0.08), 83.4°(0.15).
Generat... | JVASP-114432 | 2.95 2.95 7.30
90 90 90
Sb 0.000 0.000 0.695
As 0.000 0.000 0.305
F 0.000 0.000 -0.018 |
Below is a description of a material. | The chemical formula is: TlV5S8.
The XRD pattern shows main peaks at: 10.4°(0.3), 16.7°(0.18), 21.0°(0.66), 21.5°(0.61), 26.2°(0.33), 27.8°(0.25), 30.3°(0.31), 31.6°(0.19), 32.1°(0.25), 33.7°(0.4), 34.7°(0.79), 36.2°(0.67), 37.9°(0.18), 41.6°(0.26), 42.9°(1.0), 47.7°(0.19), 48.9°(0.25), 54.9°(0.38), 56.3°(0.19), 73.3°(... | JVASP-153090 | 8.91 8.91 8.52
75 75 21
Tl 0.035 0.965 0.000
V 0.824 0.754 0.859
V 0.246 0.176 0.141
V 0.535 0.465 0.500
V 0.183 0.113 0.504
V 0.887 0.817 0.496
S 0.695 0.625 -0.001
S 0.375 0.305 0.001
S 0.294 0.224 0.660
S 0.776 0.706 0.340
S 0.621 0.550 0.681
S 0.450 0.379 0.319
S 0.961 0.891 0.680
S 0.109 0.039 0.320 |
Below is a description of a material. | The chemical formula is: Pr3Sm.
The XRD pattern shows main peaks at: 29.9°(1.0), 34.6°(0.51), 49.8°(0.37), 59.1°(0.41), 62.1°(0.12), 73.1°(0.05), 80.9°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-107690 | 6.34 6.34 6.34
131 131 70
Pr 0.750 0.250 0.500
Pr 0.250 0.750 0.500
Pr 0.500 0.500 -0.000
Sm 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: LiZrScRu.
The XRD pattern shows main peaks at: 23.6°(0.5), 39.0°(1.0), 46.1°(0.24), 56.3°(0.16), 70.6°(0.32), 83.7°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-190179 | 4.62 4.62 4.62
60 60 60
Sc 0.500 0.500 0.500
Ru 0.750 0.750 0.750
Zr 0.000 -0.000 0.000
Li 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: Rb2NaPrBr6.
The XRD pattern shows main peaks at: 13.4°(0.16), 15.5°(0.2), 22.0°(0.21), 27.1°(0.73), 31.4°(1.0), 45.0°(0.68), 53.3°(0.31), 55.8°(0.24), 65.5°(0.11), 74.4°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-104821 | 8.07 8.07 8.07
60 60 60
Rb 0.750 0.750 0.750
Rb 0.250 0.250 0.250
Na 0.500 0.500 0.500
Pr 0.000 0.000 0.000
Br 0.748 0.252 0.252
Br 0.252 0.252 0.748
Br 0.252 0.748 0.748
Br 0.252 0.748 0.252
Br 0.748 0.252 0.748
Br 0.748 0.748 0.252 |
Below is a description of a material. | The chemical formula is: SnBi.
The XRD pattern shows main peaks at: 16.2°(0.08), 32.0°(1.0), 32.8°(0.26), 44.5°(0.1), 47.2°(0.18), 56.4°(0.16), 58.3°(0.19), 66.9°(0.12), 74.0°(0.09), 78.1°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-113777 | 3.39 3.39 5.46
90 90 106
Sn 0.000 0.000 0.000
Bi 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Fe3S4.
The XRD pattern shows main peaks at: 7.2°(0.9), 14.4°(0.36), 21.6°(0.68), 34.8°(0.65), 35.6°(1.0), 37.6°(0.54), 41.6°(0.63), 43.1°(0.99), 46.5°(0.45), 48.3°(0.16), 59.8°(0.75), 76.5°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-4681 | 12.47 12.47 12.47
14 14 14
Fe 0.460 0.460 0.460
Fe 0.701 0.701 0.701
Fe 0.885 0.885 0.885
S 0.000 0.000 0.000
S 0.084 0.084 0.084
S 0.169 0.169 0.169
S 0.252 0.252 0.252 |
Below is a description of a material. | The chemical formula is: UAs.
The XRD pattern shows main peaks at: 26.7°(0.48), 30.9°(1.0), 44.3°(0.79), 52.5°(0.25), 55.0°(0.28), 64.5°(0.13), 73.2°(0.38), 81.6°(0.28).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-20394 | 4.09 4.09 4.09
60 60 60
U 0.500 0.500 0.500
As 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: YTi2Rh2.
The XRD pattern shows main peaks at: 22.7°(0.18), 30.0°(0.53), 32.9°(1.0), 34.4°(0.64), 42.9°(0.74), 45.5°(0.35), 47.6°(0.45), 55.1°(0.46), 60.4°(0.08), 62.3°(0.23), 66.0°(0.33), 70.6°(0.08), 72.2°(0.1), 73.1°(0.12), 78.2°(0.06), 80.5°(0.12), 82.0°(0.09), 86.0°(0.18), 87.8°(0.11).
Gene... | JVASP-190599 | 4.22 4.22 6.13
69 69 90
Y 0.000 -0.000 0.000
Rh 0.378 0.378 0.244
Rh 0.622 0.622 0.756
Ti 0.750 0.250 0.500
Ti 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: WBr2O.
The XRD pattern shows main peaks at: 12.9°(0.79), 24.2°(1.0), 27.6°(0.1), 33.3°(0.83), 38.2°(0.41), 39.4°(0.22), 40.5°(0.09), 42.7°(0.16), 44.8°(0.54), 47.7°(0.15), 52.5°(0.2), 55.2°(0.1), 59.4°(0.3), 61.1°(0.17), 63.5°(0.09), 65.9°(0.08), 75.9°(0.08), 79.6°(0.12), 86.8°(0.08), 89.0°(0.0... | JVASP-180885 | 7.31 7.31 7.31
149 153 40
W 0.000 0.000 -0.000
Br 0.646 0.146 0.500
Br 0.354 0.854 0.500
O 0.000 0.500 0.500 |
Below is a description of a material. | The chemical formula is: SmMg5Sb4.
The XRD pattern shows main peaks at: 6.0°(0.25), 12.1°(0.13), 23.0°(0.14), 24.3°(0.11), 25.3°(1.0), 28.8°(0.09), 33.1°(0.64), 38.9°(0.58), 46.4°(0.11), 47.0°(0.17), 52.0°(0.16), 62.5°(0.14), 66.8°(0.15), 70.4°(0.1).
Generate atomic structure description with lattice lengths, angles, c... | JVASP-110108 | 4.63 4.63 14.66
90 90 120
Sm 0.000 0.000 0.000
Mg 0.333 0.667 0.326
Mg 0.667 0.333 0.674
Mg 0.000 0.000 0.500
Mg 0.333 0.667 0.811
Mg 0.667 0.333 0.189
Sb 0.333 0.667 0.124
Sb 0.667 0.333 0.876
Sb 0.333 0.667 0.612
Sb 0.667 0.333 0.388 |
Below is a description of a material. | The chemical formula is: LaH2.
The XRD pattern shows main peaks at: 28.1°(1.0), 32.6°(0.36), 46.7°(0.29), 55.5°(0.26), 58.1°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-114323 | 3.89 3.89 3.89
60 60 90
La 0.027 0.928 0.064
H 0.527 0.429 0.065
H 0.277 0.679 0.564 |
Below is a description of a material. | The chemical formula is: ScCl2.
The XRD pattern shows main peaks at: 13.1°(0.74), 29.5°(0.49), 32.4°(0.34), 40.0°(1.0), 50.6°(0.12), 52.4°(0.27), 54.3°(0.13), 63.1°(0.08), 67.9°(0.18), 78.9°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-185179 | 3.49 3.49 6.75
90 90 120
Sc 0.333 0.667 0.500
Cl 1.000 1.000 0.741
Cl 1.000 1.000 0.259 |
Below is a description of a material. | The chemical formula is: CeCoGe3.
The XRD pattern shows main peaks at: 22.5°(0.07), 29.2°(0.12), 34.6°(1.0), 36.7°(0.15), 41.8°(0.5), 47.6°(0.13), 51.2°(0.08), 55.2°(0.16), 56.8°(0.17), 60.6°(0.16), 64.8°(0.12), 68.2°(0.07), 71.6°(0.22), 73.0°(0.08).
Generate atomic structure description with lattice lengths, angles, c... | JVASP-92496 | 4.32 4.32 5.77
112 112 90
Ce 0.994 0.994 0.989
Co 0.667 0.667 0.335
Ge 0.434 0.434 0.869
Ge 0.257 0.757 0.514
Ge 0.757 0.257 0.514 |
Below is a description of a material. | The chemical formula is: Mg2TlSb2.
The XRD pattern shows main peaks at: 11.2°(0.27), 24.5°(1.0), 31.5°(0.73), 34.0°(0.07), 38.2°(0.48), 40.8°(0.24), 45.9°(0.26), 50.3°(0.2), 57.1°(0.09), 61.2°(0.32), 63.1°(0.09), 69.0°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types... | JVASP-156299 | 4.72 4.72 7.90
89 89 60
Mg 0.333 0.333 0.368
Mg 0.667 0.667 0.632
Tl 0.000 0.000 0.000
Sb 0.667 0.667 0.259
Sb 0.333 0.333 0.741 |
Below is a description of a material. | The chemical formula is: CaAlF5.
The XRD pattern shows main peaks at: 22.3°(0.85), 28.0°(1.0), 39.1°(0.19), 39.7°(0.08), 42.9°(0.05), 44.8°(0.12), 45.6°(0.29), 49.5°(0.31), 51.2°(0.16), 54.3°(0.21), 54.9°(0.07), 57.8°(0.11), 69.6°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates an... | JVASP-87116 | 5.42 5.42 7.38
69 69 71
Ca 0.456 0.544 0.250
Ca 0.544 0.456 0.750
Al 0.000 -0.000 0.500
Al 0.000 0.000 0.000
F 0.799 0.756 0.615
F 0.244 0.201 0.885
F 0.201 0.244 0.385
F 0.756 0.799 0.115
F 0.939 0.061 0.750
F 0.061 0.939 0.250
F 0.730 0.298 0.027
F 0.702 0.270 0.473
F 0.270 0.702 0.973
F 0.298 0.730 0.527 |
Below is a description of a material. | The chemical formula is: VCl4O.
The XRD pattern shows main peaks at: 15.5°(0.74), 21.9°(0.08), 25.5°(0.94), 33.9°(0.81), 35.0°(1.0), 40.7°(0.08), 44.8°(0.1), 46.8°(0.34), 49.6°(0.06), 50.4°(0.35), 52.2°(0.36), 59.8°(0.32), 62.1°(0.17), 66.7°(0.18), 67.4°(0.07), 71.2°(0.16), 74.0°(0.06), 78.6°(0.11), 84.6°(0.06), 86.1°(... | JVASP-180469 | 6.05 6.05 6.05
95 95 142
V -0.014 -0.014 0.000
Cl 0.164 0.813 0.823
Cl -0.010 0.341 0.177
Cl 0.341 0.164 0.351
Cl 0.813 -0.010 0.649
O 0.567 0.567 -0.000 |
Below is a description of a material. | The chemical formula is: HfZr2Zn3.
The XRD pattern shows main peaks at: 8.9°(0.11), 26.9°(0.08), 38.4°(1.0), 55.4°(0.11), 69.4°(0.23).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-189858 | 3.31 3.31 9.97
90 90 90
Hf 0.500 0.500 0.500
Zr 0.500 0.500 0.832
Zr 0.500 0.500 0.168
Zn 0.000 -0.000 0.000
Zn -0.000 -0.000 0.662
Zn 0.000 0.000 0.338 |
Below is a description of a material. | The chemical formula is: CrCoO.
The XRD pattern shows main peaks at: 13.7°(1.0), 18.6°(0.5), 19.4°(0.22), 23.2°(0.59), 27.0°(0.19), 27.5°(0.11), 30.9°(0.12), 33.5°(0.13), 36.3°(0.16), 37.8°(0.08), 40.4°(0.12), 41.8°(0.08), 42.8°(0.05), 44.2°(0.09), 46.2°(0.11), 48.4°(0.14), 49.6°(0.06), 54.6°(0.08), 57.6°(0.06), 59.5°(... | JVASP-136436 | 6.48 6.48 4.76
90 90 90
Cr -0.025 -0.089 0.000
Co 0.267 -0.012 0.000
O -0.013 0.299 0.000 |
Below is a description of a material. | The chemical formula is: Ba2FeGe.
The XRD pattern shows main peaks at: 22.6°(0.12), 32.2°(1.0), 46.2°(0.17), 52.0°(0.05), 57.4°(0.37), 67.4°(0.11), 76.6°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-66236 | 5.56 5.56 5.56
60 60 60
Ba 0.750 0.750 0.750
Ba 0.250 0.250 0.250
Fe 0.000 0.000 0.000
Ge 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Ti2TlC.
The XRD pattern shows main peaks at: 12.5°(0.57), 25.2°(0.23), 32.6°(0.2), 33.2°(0.4), 35.0°(0.14), 37.9°(1.0), 41.6°(0.06), 46.1°(0.12), 58.1°(0.2), 59.7°(0.09), 64.3°(0.1), 71.5°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-90753 | 3.18 3.18 14.13
90 90 119
Ti 0.667 0.333 0.578
Ti 0.333 0.667 0.422
Ti 0.333 0.667 0.078
Ti 0.667 0.333 0.922
Tl 0.667 0.333 0.250
Tl 0.333 0.667 0.750
C 0.000 0.000 0.500
C 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: TlIn3Se4.
The XRD pattern shows main peaks at: 21.9°(0.34), 27.7°(0.38), 31.1°(0.51), 34.0°(1.0), 40.8°(0.22), 44.6°(0.09), 50.2°(0.22), 52.2°(0.22), 52.9°(0.1), 62.7°(0.12), 69.3°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-170056 | 6.71 6.71 6.71
62 74 105
Tl -0.000 0.250 0.750
In 0.500 0.250 0.250
In 0.500 0.750 0.750
In -0.000 0.750 0.250
Se 0.500 0.325 0.825
Se 0.500 0.675 0.175
Se 0.149 0.825 0.675
Se 0.851 0.175 0.325 |
Below is a description of a material. | The chemical formula is: LiCa2Mg.
The XRD pattern shows main peaks at: 19.5°(0.08), 22.6°(0.25), 32.1°(1.0), 39.6°(0.08), 46.0°(0.16), 51.9°(0.08), 57.2°(0.32), 67.1°(0.09), 76.4°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-38324 | 5.58 5.58 5.58
60 60 60
Li 0.250 0.250 0.250
Ca 0.500 0.500 0.500
Ca 0.000 0.000 0.000
Mg 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: Li2GaAg.
The XRD pattern shows main peaks at: 24.6°(1.0), 40.7°(0.89), 48.1°(0.49), 58.8°(0.14), 64.7°(0.15), 74.0°(0.31), 79.3°(0.13), 88.0°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-109166 | 4.44 4.44 4.44
59 60 60
Li 0.750 0.750 0.750
Li 0.500 0.500 0.500
Ga 0.000 0.000 0.000
Ag 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: Ni3Se4.
The XRD pattern shows main peaks at: 8.7°(0.1), 33.4°(1.0), 38.9°(0.07), 45.8°(0.6), 50.0°(0.53), 61.4°(0.15), 70.1°(0.16), 83.1°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-149523 | 10.18 3.65 3.65
59 89 89
Ni 0.000 0.000 0.000
Ni 0.265 1.000 1.000
Ni 0.735 0.000 0.000
Se 0.131 0.667 0.667
Se 0.869 0.333 0.333
Se 0.618 0.667 0.667
Se 0.382 0.333 0.333 |
Below is a description of a material. | The chemical formula is: Sm3AlN.
The XRD pattern shows main peaks at: 18.1°(0.26), 25.7°(0.14), 31.6°(1.0), 36.7°(0.56), 41.2°(0.13), 45.3°(0.06), 52.8°(0.38), 56.3°(0.06), 62.9°(0.43), 66.0°(0.13), 78.0°(0.06), 86.6°(0.18), 89.4°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates an... | JVASP-93246 | 4.90 4.90 4.90
90 90 90
Sm 0.500 0.500 0.000
Sm 0.500 0.000 0.500
Sm 0.000 0.500 0.500
Al 0.000 0.000 0.000
N 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: ZrBeZn.
The XRD pattern shows main peaks at: 13.1°(0.43), 26.3°(0.35), 36.1°(0.21), 38.5°(1.0), 39.9°(0.2), 45.2°(0.5), 54.9°(0.17), 64.9°(0.17), 66.8°(0.21), 71.3°(0.12), 78.1°(0.13), 79.0°(0.16), 82.6°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and ... | JVASP-66998 | 2.87 2.87 6.77
90 90 120
Zr 0.667 0.333 0.321
Be 0.000 0.000 0.979
Zn 0.333 0.667 0.700 |
Below is a description of a material. | The chemical formula is: Sc2H2Rh.
The XRD pattern shows main peaks at: 15.1°(0.44), 28.8°(0.13), 36.2°(1.0), 39.7°(0.45), 42.7°(0.16), 46.6°(0.08), 48.1°(0.23), 57.4°(0.15), 62.8°(0.15), 69.8°(0.28), 76.9°(0.07), 77.6°(0.08), 78.1°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates a... | JVASP-193931 | 3.21 3.21 6.28
75 75 90
Sc 0.359 0.359 0.282
Sc 0.641 0.641 0.718
H 0.750 0.250 0.500
H 0.250 0.750 0.500
Rh 0.000 0.000 -0.000 |
Below is a description of a material. | The chemical formula is: CrAgS2.
The XRD pattern shows main peaks at: 13.0°(0.17), 26.2°(0.3), 29.6°(1.0), 30.6°(0.6), 34.2°(0.17), 36.8°(0.38), 39.7°(0.09), 42.9°(0.77), 46.4°(0.31), 51.9°(0.46), 53.8°(0.06), 58.1°(0.09), 59.1°(0.18), 60.9°(0.11), 69.6°(0.16).
Generate atomic structure description with lattice lengths... | JVASP-1471 | 7.11 7.11 7.11
28 28 28
Cr 0.001 0.001 0.001
Ag 0.155 0.155 0.155
S 0.733 0.733 0.733
S 0.273 0.273 0.273 |
Below is a description of a material. | The chemical formula is: CuTeCl2.
The XRD pattern shows main peaks at: 10.6°(0.07), 21.3°(0.37), 27.0°(0.06), 29.1°(1.0), 32.2°(0.12), 34.6°(0.14), 38.5°(0.52), 42.5°(0.49), 43.4°(0.08), 44.4°(0.22), 51.1°(0.12), 55.6°(0.17), 59.4°(0.12), 60.2°(0.09), 62.4°(0.13), 64.0°(0.2), 65.7°(0.05), 72.4°(0.19), 73.1°(0.07), 88.4... | JVASP-138576 | 3.31 3.31 8.33
90 90 90
Cu 0.500 0.500 0.583
Te 0.000 0.000 0.116
Cl 0.000 0.000 0.466
Cl 0.500 0.500 0.845 |
Below is a description of a material. | The chemical formula is: Li2Ti3MnO8.
The XRD pattern shows main peaks at: 18.3°(0.74), 21.1°(0.34), 30.1°(0.32), 35.3°(1.0), 42.9°(0.4), 56.9°(0.21), 62.2°(0.31), 62.5°(0.28).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-168418 | 5.94 5.94 5.94
60 60 60
Li 0.119 0.119 0.119
Li 0.501 0.501 0.501
Ti 0.007 0.499 0.499
Ti 0.499 0.007 0.499
Ti 0.499 0.499 0.007
Mn 0.882 0.882 0.882
O 0.259 0.259 0.259
O 0.251 0.251 0.711
O 0.251 0.711 0.251
O 0.711 0.251 0.251
O 0.289 0.746 0.746
O 0.746 0.289 0.746
O 0.746 0.746 0.289
O 0.742 0.742 0.742 |
Below is a description of a material. | The chemical formula is: SbAu3.
The XRD pattern shows main peaks at: 36.1°(1.0), 41.9°(0.5), 60.8°(0.32), 72.8°(0.36), 76.6°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-126926 | 4.31 4.31 4.31
90 90 90
Sb 0.000 0.000 0.000
Au 0.000 0.500 0.500
Au 0.500 0.000 0.500
Au 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: LiTcO2.
The XRD pattern shows main peaks at: 16.8°(1.0), 33.9°(0.1), 37.9°(0.39), 39.2°(0.19), 44.2°(0.37), 47.5°(0.14), 51.9°(0.06), 55.9°(0.08), 60.5°(0.13), 67.6°(0.13), 70.2°(0.08), 71.4°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-180719 | 2.77 2.77 5.53
104 104 59
Li 0.500 0.500 0.500
Tc -0.000 -0.000 -0.000
O 0.755 0.755 0.260
O 0.245 0.245 0.740 |
Below is a description of a material. | The chemical formula is: Li2HfO3.
The XRD pattern shows main peaks at: 18.7°(0.93), 23.3°(1.0), 28.0°(0.24), 32.8°(0.26), 35.0°(0.27), 35.6°(0.22), 36.2°(0.22), 37.2°(0.2), 38.0°(0.11), 43.3°(0.18), 44.6°(0.19), 46.1°(0.15), 47.2°(0.17), 47.6°(0.16), 49.5°(0.11), 52.4°(0.09), 55.4°(0.11), 56.9°(0.12), 59.2°(0.08), 65.1... | JVASP-44993 | 7.97 7.97 5.26
132 75 149
Li 0.953 0.268 0.609
Li 0.050 0.735 0.391
Hf 0.501 0.501 0.500
O 0.604 0.319 0.460
O 0.001 0.001 0.500
O 0.398 0.684 0.540 |
Below is a description of a material. | The chemical formula is: SnOs2Ru.
The XRD pattern shows main peaks at: 25.0°(0.09), 39.3°(1.0), 45.5°(0.33), 46.0°(0.15), 66.3°(0.11), 66.7°(0.21), 79.9°(0.26), 80.6°(0.11), 84.5°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-51339 | 3.99 3.99 4.85
114 114 89
Sn 0.250 0.750 0.500
Os -0.000 0.000 0.000
Os 0.750 0.250 0.500
Ru 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: SiPt5Pb.
The XRD pattern shows main peaks at: 31.4°(0.11), 33.8°(0.55), 36.8°(0.31), 40.1°(1.0), 45.0°(0.48), 59.5°(0.32), 65.6°(0.15), 69.3°(0.06), 72.5°(0.2), 75.8°(0.12), 77.6°(0.15), 79.7°(0.28).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-35410 | 4.03 4.03 7.33
90 90 90
Si 0.000 0.000 0.500
Pt 0.000 0.500 0.304
Pt 0.000 0.500 0.696
Pt 0.500 0.000 0.304
Pt 0.500 0.000 0.696
Pt 0.000 0.000 0.000
Pb 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: Rh3Pb2S2.
The XRD pattern shows main peaks at: 19.0°(0.38), 21.8°(0.52), 30.8°(0.58), 31.1°(0.53), 36.3°(0.29), 38.1°(1.0), 38.5°(0.4), 44.4°(0.9), 48.7°(0.15), 64.2°(0.32), 64.9°(0.25), 77.4°(0.29), 78.0°(0.17), 81.4°(0.17).
Generate atomic structure description with lattice lengths, angles, c... | JVASP-17307 | 5.75 5.75 5.75
60 60 60
Rh 0.500 -0.000 -0.000
Rh 0.000 -0.000 0.500
Rh -0.000 0.500 -0.000
Pb 0.500 0.500 0.500
Pb 0.000 0.000 0.000
S 0.717 0.717 0.717
S 0.283 0.283 0.283 |
Below is a description of a material. | The chemical formula is: Be2InSi.
The XRD pattern shows main peaks at: 13.7°(0.94), 27.6°(0.55), 29.1°(0.96), 32.3°(0.73), 40.5°(1.0), 41.6°(0.46), 44.0°(0.23), 50.7°(0.41), 51.8°(0.13), 56.9°(0.08), 60.4°(0.21), 62.2°(0.08), 65.2°(0.23), 67.6°(0.18), 68.4°(0.16), 70.1°(0.14), 72.9°(0.14), 75.2°(0.29), 83.5°(0.06), 87.... | JVASP-68365 | 3.07 3.07 6.47
90 90 90
Be 0.000 0.000 0.671
Be 0.000 0.000 0.329
In 0.500 0.500 0.000
Si 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: CrCoTe.
The XRD pattern shows main peaks at: 26.2°(0.37), 30.4°(0.32), 43.5°(1.0), 51.5°(0.19), 54.0°(0.08), 63.2°(0.15), 69.7°(0.08), 71.8°(0.1), 79.9°(0.31), 85.8°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-36362 | 4.16 4.16 4.16
60 60 60
Cr 0.750 0.750 0.750
Co 0.000 0.000 0.000
Te 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: LiHfGaRh.
The XRD pattern shows main peaks at: 24.6°(0.37), 28.5°(0.18), 40.8°(1.0), 48.2°(0.19), 50.5°(0.05), 59.1°(0.15), 65.0°(0.06), 74.3°(0.3), 88.4°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-192777 | 4.42 4.42 4.42
59 60 60
Rh 0.500 0.500 0.500
Hf 0.750 0.750 0.750
Ga 0.250 0.250 0.250
Li 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Mg3P2.
The XRD pattern shows main peaks at: 20.9°(0.24), 25.7°(0.52), 36.6°(0.11), 42.5°(1.0), 50.3°(0.22), 57.3°(0.06), 61.7°(0.16), 67.9°(0.09), 77.8°(0.32), 83.5°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-10204 | 6.01 6.01 6.01
90 90 90
Mg 0.000 0.500 0.500
Mg 0.500 0.000 0.000
Mg 0.000 0.000 0.500
Mg 0.000 0.500 0.000
Mg 0.500 0.000 0.500
Mg 0.500 0.500 0.000
P 0.250 0.250 0.250
P 0.750 0.250 0.750
P 0.750 0.750 0.250
P 0.250 0.750 0.750 |
Below is a description of a material. | The chemical formula is: AcInAg.
The XRD pattern shows main peaks at: 21.3°(0.27), 24.6°(0.29), 35.1°(1.0), 41.4°(0.14), 43.4°(0.09), 50.5°(0.18), 55.4°(0.06), 57.0°(0.13), 63.0°(0.37), 74.2°(0.11), 79.6°(0.06), 84.8°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-156406 | 5.11 5.11 5.11
60 60 60
Ac 0.250 0.250 0.250
In 0.750 0.750 0.750
Ag 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: PtO.
The XRD pattern shows main peaks at: 33.6°(1.0), 39.0°(0.71), 56.3°(0.45), 67.2°(0.43), 70.6°(0.15), 83.8°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-16604 | 3.27 3.27 3.27
60 60 60
Pt 0.000 0.000 0.000
O 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: CaBe2Tl.
The XRD pattern shows main peaks at: 13.7°(0.98), 25.3°(1.0), 27.7°(0.42), 28.9°(0.63), 36.1°(0.5), 37.9°(0.84), 38.8°(0.34), 46.1°(0.44), 49.7°(0.19), 52.0°(0.18), 54.1°(0.14), 56.6°(0.1), 58.7°(0.2), 59.9°(0.19), 60.6°(0.18), 63.5°(0.18), 66.1°(0.34), 69.5°(0.14), 74.8°(0.12), 86.5°(... | JVASP-68463 | 3.52 3.52 6.45
90 90 90
Ca 0.500 0.500 0.000
Be 0.000 0.000 0.686
Be 0.000 0.000 0.314
Tl 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: LiCaMgSiN3.
The XRD pattern shows main peaks at: 14.8°(0.53), 22.5°(0.21), 23.4°(0.25), 24.9°(0.48), 31.6°(0.83), 33.6°(0.22), 34.2°(0.51), 35.1°(0.67), 35.9°(1.0), 37.2°(0.59), 41.8°(0.64), 42.7°(0.24), 45.8°(0.2), 47.6°(0.38), 51.1°(0.31), 53.2°(0.24), 58.1°(0.19), 59.7°(0.32), 67.0°(0.17), 7... | JVASP-35174 | 5.57 5.67 6.01
86 83 60
Li 0.680 0.000 0.091
Li 0.320 -0.000 0.909
Ca 0.320 0.361 0.500
Ca 0.680 0.639 0.500
Mg 0.236 0.529 -0.000
Mg 0.764 0.471 0.000
Si 0.130 0.000 0.321
Si 0.870 -0.000 0.679
N 0.807 -0.000 0.389
N 0.193 0.000 0.611
N 0.608 0.291 0.811
N 0.899 0.709 0.811
N 0.392 0.709 0.189
N 0.101 0.291 0.189 |
Below is a description of a material. | The chemical formula is: BaMoS2.
The XRD pattern shows main peaks at: 23.3°(0.47), 27.9°(1.0), 34.7°(0.11), 35.3°(0.05), 36.1°(0.59), 43.4°(0.34), 44.0°(0.43), 47.7°(0.07), 51.4°(0.07), 52.0°(0.2), 57.7°(0.15), 60.1°(0.23), 61.3°(0.13), 66.9°(0.09), 70.4°(0.23), 73.2°(0.07), 76.6°(0.06), 81.4°(0.06), 87.8°(0.09), 89.5°... | JVASP-185901 | 3.52 3.52 7.62
90 90 90
Ba 0.500 0.500 0.592
Mo -0.000 -0.000 0.061
S 0.000 0.000 0.367
S 0.500 0.500 0.990 |
Below is a description of a material. | The chemical formula is: MnBeMo.
The XRD pattern shows main peaks at: 15.1°(0.71), 30.4°(0.2), 38.7°(0.22), 41.8°(1.0), 46.4°(0.17), 50.0°(0.48), 62.0°(0.11), 70.1°(0.15), 72.2°(0.06), 76.8°(0.15), 78.3°(0.07), 85.1°(0.12), 88.3°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-74290 | 2.68 2.68 5.88
90 90 120
Mn 0.333 0.667 0.317
Be 0.000 0.000 0.019
Mo 0.667 0.333 0.664 |
Below is a description of a material. | The chemical formula is: La2ScSi2.
The XRD pattern shows main peaks at: 19.5°(0.24), 23.9°(0.15), 25.8°(0.07), 26.7°(0.36), 31.0°(0.55), 33.3°(1.0), 34.0°(0.1), 38.2°(0.21), 39.5°(0.19), 48.4°(0.15), 50.5°(0.17), 52.0°(0.07), 54.6°(0.25), 56.1°(0.3), 65.9°(0.14), 67.3°(0.12), 67.8°(0.12), 77.5°(0.06), 83.0°(0.07), 87.5... | JVASP-109323 | 7.46 7.46 4.56
90 90 90
La 0.678 0.178 0.500
La 0.322 0.822 0.500
La 0.178 0.322 0.500
La 0.822 0.678 0.500
Sc 0.000 0.000 0.000
Sc 0.500 0.500 0.000
Si 0.118 0.618 0.000
Si 0.882 0.382 0.000
Si 0.618 0.882 0.000
Si 0.382 0.118 0.000 |
Below is a description of a material. | The chemical formula is: Ce3Rh.
The XRD pattern shows main peaks at: 34.2°(1.0), 39.6°(0.51), 57.3°(0.37), 68.4°(0.42), 71.9°(0.12), 85.4°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-129110 | 4.55 4.55 4.55
90 90 90
Ce 0.000 0.500 0.500
Ce 0.500 0.000 0.500
Ce 0.500 0.500 0.000
Rh 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Pr3In.
The XRD pattern shows main peaks at: 28.7°(0.24), 31.8°(0.24), 32.9°(1.0), 43.4°(0.16), 50.9°(0.18), 57.4°(0.2), 61.3°(0.21), 61.9°(0.14), 80.2°(0.07), 88.3°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-99640 | 7.18 7.18 5.62
90 90 120
Pr 0.824 0.176 0.750
Pr 0.352 0.176 0.750
Pr 0.824 0.648 0.750
Pr 0.176 0.824 0.250
Pr 0.648 0.824 0.250
Pr 0.176 0.352 0.250
In 0.667 0.333 0.250
In 0.333 0.667 0.750 |
Below is a description of a material. | The chemical formula is: Te6Mo2W.
The XRD pattern shows main peaks at: 2.9°(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-28473 | 3.57 3.57 30.89
90 90 119
Te 0.333 0.667 0.406
Te 0.667 0.333 0.057
Te 0.667 0.333 0.519
Te 0.667 0.333 0.175
Te 0.667 0.333 0.636
Te 0.333 0.667 0.288
Mo 0.333 0.667 0.116
Mo 0.333 0.667 0.578
W 0.667 0.333 0.347 |
Below is a description of a material. | The chemical formula is: SrLi2Pd2.
The XRD pattern shows main peaks at: 15.4°(0.27), 22.7°(0.25), 30.4°(1.0), 31.0°(0.07), 31.7°(0.94), 34.2°(0.24), 43.5°(0.39), 44.0°(0.14), 44.9°(0.6), 46.4°(0.07), 54.8°(0.36), 63.3°(0.13), 64.3°(0.38), 71.8°(0.16), 72.5°(0.08), 73.0°(0.12), 81.1°(0.13).
Generate atomic structure des... | JVASP-155698 | 4.16 4.16 6.48
108 108 89
Sr 0.000 0.000 0.000
Li 0.750 0.250 0.500
Li 0.250 0.750 0.500
Pd 0.616 0.616 0.232
Pd 0.384 0.384 0.768 |
Below is a description of a material. | The chemical formula is: Cr2O5.
The XRD pattern shows main peaks at: 16.0°(0.42), 19.5°(1.0), 21.1°(0.42), 26.3°(0.72), 31.2°(0.36), 31.9°(0.38), 32.3°(0.3), 32.9°(0.09), 35.0°(0.32), 39.6°(0.11), 40.5°(0.09), 46.0°(0.15), 46.9°(0.15), 47.4°(0.16), 51.3°(0.22), 55.4°(0.09), 58.5°(0.09), 61.2°(0.08), 61.9°(0.07), 72.4°(... | JVASP-30573 | 3.56 4.55 11.09
90 89 90
Cr 0.019 0.881 0.151
Cr 0.519 0.119 0.349
Cr 0.519 0.119 0.651
Cr 0.019 0.881 0.849
O 0.519 0.994 0.182
O 0.019 0.006 0.318
O 0.019 0.006 0.682
O 0.519 0.994 0.818
O 0.019 0.535 0.853
O 0.519 0.465 0.647
O 0.519 0.465 0.353
O 0.519 0.011 0.500
O 0.019 -0.011 -0.000
O 0.019 0.535 0.147 |
Below is a description of a material. | The chemical formula is: NaSc2Be.
The XRD pattern shows main peaks at: 23.3°(0.39), 35.9°(1.0), 38.9°(0.19), 43.1°(0.27), 49.5°(0.1), 57.4°(0.06), 59.4°(0.19), 62.5°(0.08), 68.6°(0.11), 74.3°(0.19), 76.2°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-68325 | 5.50 5.50 5.50
135 135 65
Na 0.750 0.250 0.500
Sc 0.000 0.000 0.000
Sc 0.250 0.750 0.500
Be 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: ScRuRh2C.
The XRD pattern shows main peaks at: 21.8°(0.13), 38.2°(1.0), 44.3°(0.44), 49.9°(0.05), 64.5°(0.29), 77.4°(0.26), 81.7°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-190269 | 4.09 4.09 4.07
90 90 90
Sc 0.500 0.500 0.500
Ru 0.000 0.000 0.500
C 0.000 0.000 0.000
Rh 0.000 0.500 -0.000
Rh 0.500 -0.000 -0.000 |
Below is a description of a material. | The chemical formula is: N.
The XRD pattern shows main peaks at: 29.4°(1.0), 38.4°(0.27), 49.1°(0.22), 61.0°(0.06), 69.5°(0.11), 77.2°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-113754 | 2.70 2.70 3.04
90 90 120
N 0.000 0.000 0.000
N 0.333 0.667 0.000 |
Below is a description of a material. | The chemical formula is: ScGa3.
The XRD pattern shows main peaks at: 37.8°(1.0), 40.1°(0.22), 45.7°(0.24), 62.4°(0.18), 66.6°(0.09), 71.4°(0.12), 79.2°(0.15), 80.7°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-122707 | 5.29 5.29 3.98
68 111 135
Sc 0.125 0.875 0.875
Ga 0.375 0.625 0.625
Ga 0.875 0.125 0.125
Ga 0.626 0.374 0.375 |
Below is a description of a material. | The chemical formula is: Mn5Si3.
The XRD pattern shows main peaks at: 30.7°(0.16), 33.0°(0.08), 39.2°(0.11), 41.0°(0.45), 42.3°(0.3), 45.7°(1.0), 46.8°(0.35), 48.0°(0.67), 58.5°(0.07), 69.3°(0.18), 75.7°(0.2), 77.7°(0.13), 84.4°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and ... | JVASP-154630 | 6.72 6.72 4.59
90 90 120
Mn 0.667 0.333 0.000
Mn 0.333 0.667 0.500
Mn 0.333 0.667 0.000
Mn 0.667 0.333 0.500
Mn 0.000 0.764 0.250
Mn 0.236 0.236 0.250
Mn 0.764 0.000 0.250
Mn -0.000 0.236 0.750
Mn 0.764 0.764 0.750
Mn 0.236 0.000 0.750
Si 0.000 0.393 0.250
Si 0.607 0.607 0.250
Si 0.393 -0.000 0.250
Si -0.000 0.607 0.75... |
Below is a description of a material. | The chemical formula is: Cr3O2F2.
The XRD pattern shows main peaks at: 16.9°(0.63), 22.8°(0.57), 27.9°(0.16), 32.6°(0.44), 33.4°(1.0), 33.7°(0.59), 34.1°(0.2), 37.0°(0.13), 41.3°(0.67), 46.5°(0.14), 47.3°(0.33), 48.5°(0.33), 52.5°(0.13), 54.5°(0.11), 55.2°(0.16), 59.0°(0.14), 60.5°(0.22), 65.7°(0.14), 68.3°(0.14), 70.6... | JVASP-144872 | 5.49 5.87 6.40
90 90 116
Cr 0.747 0.540 0.623
Cr 0.247 0.540 0.877
Cr 0.500 -0.000 0.500
Cr -0.000 -0.000 0.000
Cr 0.753 0.460 0.123
Cr 0.253 0.460 0.377
O 0.526 0.322 0.378
O 0.974 0.678 0.878
O 0.026 0.322 0.122
O 0.474 0.678 0.622
F 0.869 0.242 0.620
F 0.369 0.242 0.880
F 0.631 0.758 0.120
F 0.131 0.758 0.380 |
Below is a description of a material. | The chemical formula is: Be2InSb.
The XRD pattern shows main peaks at: 23.7°(0.75), 28.6°(0.74), 37.4°(1.0), 40.8°(0.44), 47.7°(0.44), 48.5°(0.12), 57.2°(0.25), 59.0°(0.07), 64.7°(0.09), 65.2°(0.21), 66.9°(0.1), 72.1°(0.21), 79.7°(0.06), 83.1°(0.1), 86.8°(0.11).
Generate atomic structure description with lattice length... | JVASP-71173 | 4.89 4.89 3.12
90 90 100
Be 0.000 0.000 0.000
Be 0.500 0.500 0.000
In 0.500 -0.000 0.500
Sb -0.000 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Nd2MgTl.
The XRD pattern shows main peaks at: 19.9°(0.23), 32.7°(1.0), 38.5°(0.13), 46.9°(0.18), 51.4°(0.06), 58.4°(0.35), 68.5°(0.12), 78.0°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-41003 | 5.48 5.48 5.48
60 60 60
Nd 0.000 0.000 0.000
Nd 0.500 0.500 0.500
Mg 0.250 0.250 0.250
Tl 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: PbC2S2N2.
The XRD pattern shows main peaks at: 16.2°(1.0), 18.1°(0.61), 19.7°(0.44), 21.9°(0.56), 27.1°(0.15), 27.6°(0.77), 28.1°(0.4), 29.3°(0.33), 30.5°(0.6), 32.8°(0.22), 34.5°(0.46), 34.9°(0.42), 36.7°(0.33), 37.4°(0.34), 38.3°(0.16), 42.5°(0.1), 43.3°(0.17), 43.8°(0.41), 48.0°(0.28), 49.0°... | JVASP-12320 | 5.90 5.90 8.14
88 88 67
Pb 0.903 0.097 0.250
Pb 0.097 0.903 0.750
C 0.753 0.488 0.602
C 0.247 0.512 0.398
C 0.488 0.753 0.102
C 0.512 0.247 0.898
S 0.646 0.768 0.666
S 0.768 0.646 0.166
S 0.232 0.354 0.834
S 0.354 0.232 0.334
N 0.282 0.835 0.056
N 0.718 0.165 0.944
N 0.835 0.282 0.556
N 0.165 0.718 0.444 |
Below is a description of a material. | The chemical formula is: Mg7Cr.
The XRD pattern shows main peaks at: 16.3°(0.1), 24.1°(0.06), 32.9°(0.26), 35.7°(0.26), 37.6°(1.0), 49.4°(0.14), 58.7°(0.16), 65.4°(0.18), 70.7°(0.19), 71.8°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-91895 | 6.29 6.29 5.03
90 90 120
Mg 0.168 0.834 0.250
Mg 0.666 0.332 0.250
Mg 0.666 0.834 0.250
Mg 0.328 0.172 0.750
Mg 0.328 0.656 0.750
Mg 0.844 0.172 0.750
Mg 0.833 0.667 0.750
Cr 0.167 0.333 0.250 |
Below is a description of a material. | The chemical formula is: ThSe2.
The XRD pattern shows main peaks at: 22.3°(0.4), 22.7°(0.65), 23.3°(0.31), 25.2°(0.49), 30.4°(0.31), 32.4°(1.0), 35.8°(0.44), 37.7°(0.48), 39.4°(0.24), 40.6°(0.6), 42.1°(0.31), 43.1°(0.33), 46.3°(0.14), 47.1°(0.21), 47.5°(0.14), 58.0°(0.21), 58.8°(0.34), 59.8°(0.15), 63.4°(0.17), 65.4°(0... | JVASP-10194 | 4.43 7.64 9.14
90 90 90
Th 0.250 0.253 0.623
Th 0.750 0.747 0.377
Th 0.250 0.753 0.877
Th 0.750 0.247 0.123
Se 0.250 0.029 0.336
Se 0.750 0.971 0.664
Se 0.250 0.529 0.164
Se 0.750 0.471 0.836
Se 0.750 0.359 0.430
Se 0.250 0.641 0.570
Se 0.750 0.859 0.070
Se 0.250 0.141 0.930 |
Below is a description of a material. | The chemical formula is: TbZn3.
The XRD pattern shows main peaks at: 22.1°(0.16), 25.8°(0.1), 26.6°(0.11), 34.9°(0.86), 35.8°(0.17), 36.3°(1.0), 38.3°(0.3), 41.1°(0.42), 43.5°(0.19), 44.5°(0.19), 55.1°(0.09), 55.6°(0.1), 57.5°(0.17), 59.8°(0.1), 62.1°(0.14), 70.9°(0.17), 71.7°(0.13), 76.9°(0.1), 80.3°(0.05), 88.1°(0.05... | JVASP-154363 | 4.40 6.69 10.03
90 90 90
Tb 0.250 0.280 0.660
Tb 0.750 0.220 0.160
Tb 0.750 0.720 0.340
Tb 0.250 0.780 0.840
Zn 0.250 0.535 0.106
Zn 0.750 0.965 0.606
Zn 0.750 0.465 0.894
Zn 0.250 0.035 0.394
Zn 0.250 0.917 0.148
Zn 0.750 0.583 0.648
Zn 0.750 0.083 0.852
Zn 0.250 0.417 0.352
Zn 0.250 0.219 0.956
Zn 0.750 0.281 0.456
Z... |
Below is a description of a material. | The chemical formula is: LiSnO.
The XRD pattern shows main peaks at: 16.5°(1.0), 27.2°(0.5), 31.0°(0.42), 32.0°(0.42), 33.3°(0.19), 39.2°(0.34), 41.7°(0.42), 43.5°(0.17), 48.4°(0.36), 50.9°(0.07), 52.3°(0.12), 58.7°(0.1), 60.0°(0.17), 65.5°(0.11), 68.9°(0.07), 70.6°(0.13), 71.4°(0.09), 75.3°(0.08), 78.7°(0.07), 80.3°(0... | JVASP-135331 | 5.58 3.00 3.27
90 90 105
Li 0.239 -0.048 0.000
Sn 0.731 0.699 0.000
O 0.030 0.348 0.000 |
Below is a description of a material. | The chemical formula is: LiGaF.
The XRD pattern shows main peaks at: 23.3°(1.0), 30.3°(0.4), 38.6°(0.54), 41.0°(0.57), 47.7°(0.15), 51.8°(0.51), 57.6°(0.17), 64.7°(0.11), 68.3°(0.1), 73.1°(0.16), 74.7°(0.08), 78.1°(0.14), 82.7°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and a... | JVASP-134717 | 4.40 4.40 2.95
90 90 120
Li 0.667 0.333 0.000
Ga 0.333 0.667 0.000
F 0.000 0.000 0.000 |
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