instruction stringclasses 1
value | input stringlengths 172 433 | id stringlengths 7 12 | output stringlengths 43 458 |
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Below is a description of a material. | The chemical formula is: VGaOs2.
The XRD pattern shows main peaks at: 29.4°(0.3), 42.1°(1.0), 52.2°(0.1), 61.0°(0.12), 69.2°(0.09), 76.9°(0.27).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-187071 | 3.04 3.04 6.05
90 90 90
Os 0.000 0.000 0.756
Os -0.000 -0.000 0.244
Ga 0.500 0.500 0.500
V 0.500 0.500 -0.000 |
Below is a description of a material. | The chemical formula is: YbAl2Pd.
The XRD pattern shows main peaks at: 21.7°(0.11), 22.6°(0.6), 24.4°(0.65), 33.5°(0.86), 36.5°(1.0), 38.5°(0.45), 42.1°(0.27), 49.3°(0.2), 50.0°(0.14), 51.3°(0.33), 52.8°(0.14), 55.5°(0.14), 58.4°(0.27), 67.4°(0.11), 69.8°(0.12), 70.2°(0.12), 71.5°(0.09), 73.4°(0.12), 74.5°(0.13), 75.6°... | JVASP-90883 | 4.29 5.39 7.30
90 90 113
Yb 0.436 0.872 0.250
Yb 0.564 0.128 0.750
Al 0.149 0.299 0.444
Al 0.851 0.701 0.556
Al 0.149 0.299 0.056
Al 0.851 0.701 0.944
Pd 0.716 0.433 0.250
Pd 0.284 0.567 0.750 |
Below is a description of a material. | The chemical formula is: CrO2.
The XRD pattern shows main peaks at: 28.5°(1.0), 36.9°(0.55), 40.7°(0.09), 42.3°(0.14), 56.1°(0.57), 59.0°(0.15), 63.8°(0.08), 66.8°(0.08), 71.6°(0.2), 85.8°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-149328 | 2.92 4.43 4.43
90 90 90
Cr 0.000 0.000 0.000
Cr 0.500 0.500 0.500
O 0.000 0.697 0.303
O 0.000 0.303 0.697
O 0.500 0.197 0.197
O 0.500 0.803 0.803 |
Below is a description of a material. | The chemical formula is: NaHg.
The XRD pattern shows main peaks at: 14.7°(1.0), 27.4°(0.82), 29.7°(0.34), 31.3°(0.64), 39.2°(0.29), 40.9°(0.52), 42.0°(0.29), 49.9°(0.32), 53.7°(0.16), 56.6°(0.11), 58.8°(0.13), 61.3°(0.11), 64.0°(0.15), 65.2°(0.15), 66.1°(0.17), 68.8°(0.11), 72.1°(0.22), 75.5°(0.1), 81.8°(0.1), 86.1°(0.... | JVASP-116355 | 3.25 3.25 6.02
90 90 90
Na 0.000 0.000 0.750
Hg 0.000 0.000 0.250 |
Below is a description of a material. | The chemical formula is: SmCo3B2.
The XRD pattern shows main peaks at: 20.3°(0.31), 35.5°(0.14), 36.1°(1.0), 41.2°(0.82), 46.8°(0.59), 61.2°(0.1), 64.1°(0.34), 71.8°(0.16), 75.2°(0.16), 76.5°(0.27), 86.3°(0.15), 89.6°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-15571 | 5.05 5.05 3.03
90 90 120
Sm 0.000 0.000 0.000
Co 0.500 0.500 0.500
Co 0.500 0.000 0.500
Co 0.000 0.500 0.500
B 0.333 0.667 0.000
B 0.667 0.333 0.000 |
Below is a description of a material. | The chemical formula is: Sc2PPb.
The XRD pattern shows main peaks at: 11.8°(0.62), 23.7°(0.2), 28.1°(0.49), 29.0°(0.27), 32.1°(1.0), 34.3°(0.41), 35.9°(0.16), 42.8°(0.37), 48.6°(0.06), 49.2°(0.33), 60.0°(0.17), 60.8°(0.12), 62.4°(0.2), 67.2°(0.1).
Generate atomic structure description with lattice lengths, angles, coor... | JVASP-191706 | 3.70 3.70 7.80
76 76 59
Pb 0.250 0.250 0.250
Sc 0.019 0.019 0.943
Sc 0.481 0.481 0.557
P 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: LiScPt2.
The XRD pattern shows main peaks at: 28.3°(0.69), 40.4°(1.0), 50.0°(0.22), 58.4°(0.16), 66.2°(0.26), 73.4°(0.33), 87.3°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-41414 | 4.47 4.47 4.47
60 60 60
Li 0.250 0.250 0.250
Sc 0.750 0.750 0.750
Pt 0.000 0.000 0.000
Pt 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Ba4GaIr.
The XRD pattern shows main peaks at: 16.1°(0.11), 18.6°(0.05), 26.5°(0.27), 31.2°(1.0), 32.6°(0.45), 37.8°(0.05), 46.7°(0.11), 49.8°(0.37), 54.5°(0.33), 61.6°(0.05), 64.1°(0.13), 65.0°(0.18), 74.6°(0.06), 76.9°(0.25), 89.0°(0.07).
Generate atomic structure description with lattice leng... | JVASP-66422 | 6.73 6.73 6.73
60 60 60
Ba 0.123 0.626 0.626
Ba 0.626 0.626 0.626
Ba 0.626 0.123 0.626
Ba 0.626 0.626 0.123
Ga 0.250 0.250 0.250
Ir 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Be2CrGa.
The XRD pattern shows main peaks at: 11.8°(0.08), 23.7°(0.97), 36.3°(0.65), 43.9°(1.0), 48.6°(0.19), 52.3°(0.32), 58.2°(0.32), 62.1°(0.25), 74.2°(0.18), 77.1°(0.09), 82.1°(0.1), 88.4°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-73691 | 2.47 2.47 7.50
90 90 90
Be 0.000 0.000 0.774
Be 0.000 0.000 0.226
Cr 0.500 0.500 0.000
Ga 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: CaSi2Au2.
The XRD pattern shows main peaks at: 17.7°(0.77), 28.7°(0.37), 34.0°(1.0), 35.9°(0.18), 41.1°(0.39), 45.1°(0.28), 46.6°(0.4), 55.7°(0.19), 59.5°(0.13), 62.6°(0.12), 63.3°(0.16), 70.3°(0.27).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types... | JVASP-15792 | 4.40 4.40 5.89
111 111 90
Ca 0.000 0.000 0.000
Si 0.616 0.616 0.233
Si 0.384 0.384 0.767
Au 0.250 0.750 0.500
Au 0.750 0.250 0.500 |
Below is a description of a material. | The chemical formula is: TeAsRu.
The XRD pattern shows main peaks at: 21.5°(0.34), 28.0°(0.14), 30.2°(0.51), 31.2°(0.09), 32.6°(1.0), 33.3°(0.67), 36.0°(0.16), 38.9°(0.16), 41.6°(0.22), 43.8°(0.16), 44.3°(0.43), 44.6°(0.47), 45.8°(0.27), 50.0°(0.53), 51.5°(0.24), 52.7°(0.3), 62.2°(0.17), 68.2°(0.22), 82.1°(0.12), 85.9°... | JVASP-61884 | 6.45 6.38 6.50
90 113 90
Te 0.156 0.374 0.366
Te 0.844 0.874 0.134
Te 0.844 0.626 0.634
Te 0.156 0.126 0.866
As 0.354 0.645 0.168
As 0.646 0.145 0.332
As 0.646 0.355 0.832
As 0.354 0.855 0.668
Ru 0.285 0.991 0.294
Ru 0.715 0.491 0.206
Ru 0.715 0.009 0.706
Ru 0.285 0.509 0.794 |
Below is a description of a material. | The chemical formula is: CoRu.
The XRD pattern shows main peaks at: 21.9°(0.09), 39.5°(0.3), 44.6°(0.22), 45.6°(1.0), 61.0°(0.15), 71.6°(0.15), 82.8°(0.16), 88.4°(0.18), 89.2°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-128144 | 2.63 2.63 4.07
90 90 119
Co 0.667 0.333 0.750
Ru 0.333 0.667 0.250 |
Below is a description of a material. | The chemical formula is: BaNd2NiO5.
The XRD pattern shows main peaks at: 24.5°(0.09), 27.2°(0.33), 30.0°(0.31), 31.7°(1.0), 39.1°(0.14), 41.1°(0.08), 43.1°(0.16), 45.1°(0.15), 46.2°(0.05), 47.6°(0.15), 51.5°(0.06), 54.3°(0.23), 55.1°(0.15), 55.6°(0.09), 57.2°(0.1), 62.3°(0.06), 70.2°(0.1), 82.0°(0.05).
Generate atomic ... | JVASP-90472 | 3.82 5.96 6.88
115 106 89
Ba 0.500 0.500 0.000
Nd 0.299 0.799 0.597
Nd 0.701 0.201 0.403
Ni -0.000 0.000 0.000
O 0.500 0.000 0.000
O 0.144 0.902 0.289
O 0.856 0.098 0.711
O 0.856 0.613 0.711
O 0.144 0.387 0.289 |
Below is a description of a material. | The chemical formula is: HfCo4Sn.
The XRD pattern shows main peaks at: 22.5°(0.13), 37.1°(0.62), 43.8°(1.0), 45.9°(0.14), 66.9°(0.21), 71.5°(0.3), 79.0°(0.22).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-183917 | 4.85 4.85 4.85
60 60 60
Hf -0.000 0.000 -0.000
Co 0.625 0.625 0.625
Co 0.126 0.625 0.625
Co 0.625 0.126 0.625
Co 0.625 0.625 0.126
Sn 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: Nd6Co2Sn.
The XRD pattern shows main peaks at: 25.5°(0.11), 27.5°(0.16), 28.0°(0.16), 29.5°(0.28), 31.2°(1.0), 33.3°(0.64), 33.8°(0.36), 34.5°(0.22), 35.0°(0.15), 35.7°(0.12), 37.7°(0.18), 38.7°(0.13), 39.4°(0.14), 52.3°(0.15), 53.9°(0.16), 54.7°(0.08), 58.5°(0.26).
Generate atomic structure de... | JVASP-137652 | 8.63 8.63 8.63
112 108 106
Nd 0.439 0.234 0.205
Nd 0.677 0.991 0.314
Nd 0.323 0.009 0.686
Nd 0.677 0.363 0.686
Nd 0.815 0.286 0.101
Nd 0.185 0.714 0.899
Nd 0.323 0.637 0.314
Nd 0.185 0.286 0.471
Nd 0.970 0.766 0.205
Nd 0.030 0.234 0.795
Nd 0.561 0.766 0.795
Nd 0.815 0.714 0.529
Co 0.347 0.000 0.347
Co 0.653 -0.000 0.65... |
Below is a description of a material. | The chemical formula is: KBeNi2.
The XRD pattern shows main peaks at: 12.2°(0.94), 24.5°(0.21), 30.5°(0.05), 33.0°(0.3), 37.1°(0.06), 39.5°(1.0), 43.7°(0.49), 45.5°(0.14), 48.8°(0.18), 50.2°(0.06), 50.7°(0.1), 58.6°(0.06), 59.9°(0.18), 63.5°(0.15), 68.7°(0.09), 77.4°(0.22), 80.7°(0.05), 84.0°(0.07).
Generate atomic str... | JVASP-73869 | 2.93 2.93 7.27
90 90 90
K 0.500 0.500 0.750
Be 0.000 0.000 0.381
Ni 0.000 0.000 0.085
Ni 0.500 0.500 0.284 |
Below is a description of a material. | The chemical formula is: Ba2YCl7.
The XRD pattern shows main peaks at: 21.9°(1.0), 22.4°(0.41), 23.3°(0.51), 31.0°(0.13), 31.5°(0.75), 32.0°(0.16), 32.8°(0.37), 34.3°(0.1), 35.4°(0.11), 38.3°(0.54), 39.3°(0.36), 39.8°(0.28), 40.8°(0.21), 41.9°(0.09), 44.5°(0.14), 45.8°(0.16), 47.7°(0.12), 50.0°(0.09), 51.3°(0.09), 60.3... | JVASP-50037 | 9.17 9.17 10.08
56 123 127
Ba 0.311 0.681 0.731
Ba 0.319 0.689 0.231
Ba 0.681 0.311 0.769
Ba 0.689 0.319 0.269
Y 0.975 0.975 0.750
Y 0.025 0.025 0.250
Cl 0.932 0.760 0.067
Cl 0.889 0.635 0.455
Cl 0.391 0.391 0.250
Cl 0.240 0.068 0.567
Cl 0.635 0.889 0.045
Cl 0.365 0.111 0.955
Cl 0.111 0.365 0.545
Cl 0.609 0.609 0.750
C... |
Below is a description of a material. | The chemical formula is: U2Cu3Si4Ni.
The XRD pattern shows main peaks at: 18.0°(0.09), 24.2°(0.72), 31.9°(0.12), 35.4°(0.54), 36.4°(0.18), 36.8°(1.0), 45.7°(0.38), 51.7°(0.2), 52.4°(0.19), 59.1°(0.27), 59.8°(0.18), 66.6°(0.12), 71.5°(0.18), 77.8°(0.07), 78.6°(0.24), 89.1°(0.05).
Generate atomic structure description wi... | JVASP-104916 | 3.97 3.97 9.86
90 90 90
U 0.500 0.000 0.754
U 0.000 0.500 0.246
Cu 0.000 0.000 0.500
Cu 0.000 0.000 0.000
Cu 0.500 0.500 0.500
Si 0.000 0.500 0.874
Si 0.500 0.000 0.364
Si 0.500 0.000 0.126
Si 0.000 0.500 0.636
Ni 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: TlNO2.
The XRD pattern shows main peaks at: 22.0°(1.0), 30.5°(0.76), 32.2°(0.64), 34.4°(0.11), 36.5°(0.15), 39.3°(0.28), 44.9°(0.26), 49.4°(0.31), 51.7°(0.23), 53.1°(0.13), 56.3°(0.22), 57.3°(0.05), 63.4°(0.09), 66.1°(0.05), 71.7°(0.1), 72.9°(0.11), 75.6°(0.1).
Generate atomic structure descrip... | JVASP-9600 | 5.57 5.57 7.39
90 90 120
Tl 0.293 0.000 0.333
Tl 0.000 0.293 0.667
Tl 0.707 0.707 0.000
N -0.000 0.306 0.167
N 0.306 -0.000 0.833
N 0.694 0.694 0.500
O 0.489 0.120 0.955
O 0.632 0.511 0.622
O 0.880 0.368 0.288
O 0.511 0.632 0.378
O 0.120 0.489 0.045
O 0.368 0.880 0.712 |
Below is a description of a material. | The chemical formula is: ErCoSn.
The XRD pattern shows main peaks at: 23.0°(0.1), 27.5°(0.13), 33.9°(0.49), 34.2°(1.0), 35.2°(0.31), 39.1°(0.12), 39.6°(0.43), 39.9°(0.21), 42.1°(0.44), 44.8°(0.07), 48.8°(0.06), 54.0°(0.23), 56.9°(0.14), 57.5°(0.17), 65.2°(0.07), 68.0°(0.23), 68.4°(0.18), 73.5°(0.08), 74.5°(0.1), 79.1°(... | JVASP-21728 | 4.55 7.12 7.30
90 90 90
Er 0.250 0.479 0.702
Er 0.250 0.979 0.798
Er 0.750 0.021 0.202
Er 0.750 0.521 0.298
Co 0.750 0.835 0.561
Co 0.250 0.165 0.439
Co 0.750 0.335 0.939
Co 0.250 0.665 0.061
Sn 0.750 0.703 0.895
Sn 0.250 0.797 0.395
Sn 0.250 0.297 0.105
Sn 0.750 0.203 0.605 |
Below is a description of a material. | The chemical formula is: TeMoWSe2S.
The XRD pattern shows main peaks at: 2.5°(1.0), 5.1°(0.35), 7.6°(0.07), 12.7°(0.1), 30.8°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-29157 | 3.35 3.35 34.80
90 90 119
Te 0.334 0.668 0.718
Te 0.333 0.666 0.608
Mo 0.333 0.667 0.098
Mo 0.333 0.667 0.462
W 0.667 0.333 0.280
W 0.667 0.333 0.663
Se 0.666 0.333 0.050
Se 0.666 0.333 0.415
Se 0.667 0.334 0.146
Se 0.667 0.334 0.510
S 0.334 0.667 0.324
S 0.333 0.666 0.236 |
Below is a description of a material. | The chemical formula is: MnNb2Fe.
The XRD pattern shows main peaks at: 29.1°(0.08), 41.6°(1.0), 60.3°(0.16), 75.9°(0.31).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-156962 | 4.34 4.34 4.34
60 60 60
Mn 0.750 0.750 0.750
Nb 0.000 0.000 0.000
Nb 0.500 0.500 0.500
Fe 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: BaTe2Cl.
The XRD pattern shows main peaks at: 14.0°(0.07), 19.9°(0.08), 24.4°(0.11), 28.2°(0.39), 31.7°(1.0), 40.4°(0.29), 47.7°(0.06), 50.0°(0.3), 52.2°(0.25), 58.4°(0.14), 66.1°(0.13), 68.0°(0.23), 73.4°(0.09), 82.1°(0.21), 87.2°(0.08).
Generate atomic structure description with lattice lengt... | JVASP-181006 | 4.47 4.47 6.32
90 90 90
Ba 0.500 0.500 0.500
Te 0.000 0.500 -0.000
Te 0.500 -0.000 -0.000
Cl 0.000 0.000 0.500 |
Below is a description of a material. | The chemical formula is: CuPO2.
The XRD pattern shows main peaks at: 19.2°(0.12), 28.8°(0.2), 34.8°(1.0), 38.9°(0.31), 41.2°(0.89), 45.8°(0.07), 49.1°(0.25), 57.9°(0.33), 59.7°(0.26), 67.8°(0.24), 71.0°(0.25), 73.6°(0.16), 80.9°(0.07), 89.5°(0.08).
Generate atomic structure description with lattice lengths, angles, coo... | JVASP-180586 | 3.10 3.10 4.63
90 90 90
Cu 0.500 0.500 0.574
P 0.000 0.000 0.045
O 0.000 -0.000 0.381
O 0.500 0.500 0.010 |
Below is a description of a material. | The chemical formula is: TaAsW.
The XRD pattern shows main peaks at: 24.8°(0.52), 41.1°(1.0), 48.6°(0.26), 59.6°(0.16), 65.5°(0.11), 74.9°(0.33), 80.4°(0.08), 89.2°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-75531 | 4.39 4.39 4.39
60 60 60
Ta 0.750 0.750 0.750
As 0.500 0.500 0.500
W 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Li2RhAu.
The XRD pattern shows main peaks at: 18.7°(1.0), 21.2°(0.13), 36.8°(0.42), 37.9°(0.19), 38.6°(0.18), 41.6°(0.56), 43.2°(0.23), 53.9°(0.27), 55.2°(0.14), 68.7°(0.07), 72.0°(0.1), 77.9°(0.05), 81.3°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates an... | JVASP-81757 | 9.51 5.48 5.48
30 29 29
Li 0.755 0.000 -0.000
Li 0.245 -0.000 0.000
Rh 0.000 0.000 0.000
Au 0.500 0.000 0.000 |
Below is a description of a material. | The chemical formula is: TbDy8.
The XRD pattern shows main peaks at: 29.4°(0.38), 30.0°(0.15), 32.5°(1.0), 34.2°(0.9), 51.7°(0.37), 62.4°(0.15), 63.5°(0.15), 85.3°(0.13), 86.2°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-131780 | 3.53 3.53 25.40
90 90 119
Tb 0.000 0.000 0.000
Dy 0.000 0.000 0.222
Dy 0.667 0.333 0.112
Dy 0.667 0.333 0.333
Dy 0.667 0.333 0.555
Dy 0.333 0.667 0.445
Dy 0.333 0.667 0.667
Dy 0.333 0.667 0.888
Dy 0.000 0.000 0.778 |
Below is a description of a material. | The chemical formula is: Ti2InW.
The XRD pattern shows main peaks at: 13.7°(0.16), 27.1°(0.39), 27.6°(0.21), 38.7°(0.58), 39.1°(1.0), 48.2°(0.18), 55.8°(0.18), 57.0°(0.08), 63.4°(0.09), 64.2°(0.1), 70.2°(0.35), 71.0°(0.17), 82.9°(0.06), 83.9°(0.11).
Generate atomic structure description with lattice lengths, angles, co... | JVASP-189980 | 3.29 3.29 6.46
90 90 90
Ti -0.000 -0.000 0.780
Ti 0.000 0.000 0.220
W 0.500 0.500 0.000
In 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: KCdN3O6.
The XRD pattern shows main peaks at: 16.7°(1.0), 23.4°(0.61), 23.9°(0.59), 33.7°(0.85), 37.5°(0.29), 38.1°(0.31), 41.1°(0.28), 41.4°(0.63), 42.3°(0.2), 47.8°(0.19), 48.9°(0.13), 54.1°(0.16), 54.9°(0.17), 64.8°(0.16), 65.8°(0.12).
Generate atomic structure description with lattice lengt... | JVASP-151588 | 5.32 5.32 5.32
91 91 91
K 0.362 0.362 0.362
Cd 0.893 0.893 0.893
N 0.439 0.825 0.879
N 0.825 0.879 0.439
N 0.879 0.438 0.825
O 0.316 0.825 0.674
O 0.825 0.674 0.316
O 0.674 0.316 0.825
O 0.311 0.841 0.078
O 0.841 0.078 0.311
O 0.078 0.310 0.841 |
Below is a description of a material. | The chemical formula is: Ba4ZrCu.
The XRD pattern shows main peaks at: 15.3°(0.23), 25.2°(0.13), 29.6°(1.0), 30.9°(0.51), 35.9°(0.14), 39.2°(0.07), 44.3°(0.06), 47.2°(0.35), 51.7°(0.31), 54.2°(0.06), 60.7°(0.12), 61.4°(0.22), 72.5°(0.21), 76.1°(0.05), 83.7°(0.06).
Generate atomic structure description with lattice leng... | JVASP-64188 | 7.08 7.08 7.08
60 60 60
Ba 0.125 0.625 0.625
Ba 0.625 0.625 0.625
Ba 0.625 0.125 0.625
Ba 0.625 0.625 0.125
Zr 0.000 0.000 0.000
Cu 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: MgAsAu.
The XRD pattern shows main peaks at: 24.6°(1.0), 28.4°(0.11), 40.7°(0.85), 48.1°(0.53), 58.9°(0.14), 64.7°(0.21), 74.0°(0.32), 79.3°(0.17), 88.0°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-75767 | 4.44 4.44 4.44
60 60 60
Mg 0.000 0.000 0.000
As 0.500 0.500 0.500
Au 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: NiS2.
The XRD pattern shows main peaks at: 23.2°(0.42), 24.0°(1.0), 34.3°(0.44), 36.4°(0.93), 41.7°(0.19), 49.6°(0.35), 50.7°(0.21), 53.2°(0.11), 55.8°(0.31), 57.2°(0.17), 62.7°(0.11), 63.7°(0.14), 65.3°(0.07), 66.3°(0.07), 70.1°(0.05), 73.0°(0.07).
Generate atomic structure description with la... | JVASP-152491 | 4.47 6.47 7.43
90 90 90
Ni -0.000 0.250 1.000
Ni 0.500 0.750 0.500
Ni 0.000 0.750 0.000
Ni 0.500 0.250 0.500
S 0.806 0.500 0.419
S 0.694 0.000 0.081
S 0.194 -0.000 0.419
S 0.306 0.500 0.081
S 0.194 0.500 0.581
S 0.306 -0.000 0.919
S 0.806 0.000 0.581
S 0.694 0.500 0.919 |
Below is a description of a material. | The chemical formula is: Mn2PdPt.
The XRD pattern shows main peaks at: 24.8°(0.09), 28.7°(0.26), 41.0°(1.0), 50.8°(0.08), 59.4°(0.16), 74.7°(0.32), 88.9°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-99376 | 4.40 4.40 4.40
60 60 60
Mn 0.250 0.250 0.250
Mn 0.750 0.750 0.750
Pd 0.500 0.500 0.500
Pt 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: UGeSe.
The XRD pattern shows main peaks at: 21.3°(0.26), 23.1°(0.57), 27.6°(0.3), 32.0°(0.59), 33.8°(0.4), 35.1°(0.41), 38.7°(1.0), 43.3°(0.08), 44.3°(0.43), 45.9°(0.46), 57.1°(0.18), 59.1°(0.07), 65.8°(0.13), 66.9°(0.16), 80.0°(0.06).
Generate atomic structure description with lattice lengths,... | JVASP-15238 | 3.96 3.96 8.81
102 102 89
U 0.865 0.865 0.730
U 0.135 0.135 0.270
Ge -0.000 0.500 -0.000
Ge 0.500 -0.000 0.000
Se 0.315 0.315 0.631
Se 0.685 0.685 0.369 |
Below is a description of a material. | The chemical formula is: HfGa5Co.
The XRD pattern shows main peaks at: 13.4°(0.11), 21.5°(0.26), 33.5°(0.51), 34.8°(0.15), 41.2°(1.0), 43.8°(0.52), 49.2°(0.05), 55.7°(0.05), 57.1°(0.07), 61.5°(0.18), 63.6°(0.18), 64.9°(0.05), 73.4°(0.09), 73.8°(0.09), 78.7°(0.33), 79.7°(0.11), 89.6°(0.06).
Generate atomic structure des... | JVASP-35396 | 4.14 4.14 6.60
90 90 90
Hf 0.000 0.000 0.000
Ga 0.000 0.500 0.303
Ga 0.000 0.500 0.697
Ga 0.500 0.000 0.303
Ga 0.500 0.000 0.697
Ga 0.500 0.500 0.000
Co 0.000 0.000 0.500 |
Below is a description of a material. | The chemical formula is: BaThO3.
The XRD pattern shows main peaks at: 19.6°(0.12), 27.9°(1.0), 39.9°(0.25), 49.4°(0.33), 57.7°(0.13), 65.2°(0.09), 79.5°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-112952 | 6.38 6.42 9.03
90 90 90
Ba 0.509 0.531 0.250
Ba 0.991 0.031 0.250
Ba 0.491 0.469 0.750
Ba 0.009 0.969 0.750
Th 0.000 0.500 0.000
Th 0.500 0.000 0.500
Th 0.000 0.500 0.500
Th 0.500 0.000 0.000
O 0.288 0.712 0.549
O 0.212 0.212 0.951
O 0.288 0.712 0.951
O 0.212 0.212 0.549
O 0.712 0.288 0.451
O 0.091 0.472 0.250
O 0.909 ... |
Below is a description of a material. | The chemical formula is: BeCdPb2.
The XRD pattern shows main peaks at: 10.7°(0.09), 21.5°(0.14), 28.4°(1.0), 32.5°(0.35), 34.1°(0.91), 37.4°(0.59), 42.2°(0.14), 43.5°(0.1), 50.4°(0.38), 51.8°(0.15), 53.9°(0.21), 62.0°(0.25), 62.5°(0.13), 64.3°(0.19), 65.3°(0.29), 68.9°(0.1), 78.0°(0.1), 79.7°(0.07), 87.0°(0.1), 88.7°(0... | JVASP-71479 | 3.40 3.40 8.26
90 90 90
Be 0.000 0.000 0.535
Cd 0.500 0.500 0.691
Pb 0.000 0.000 0.958
Pb 0.500 0.500 0.316 |
Below is a description of a material. | The chemical formula is: TcRu3.
The XRD pattern shows main peaks at: 38.0°(0.25), 41.9°(0.27), 43.6°(1.0), 57.9°(0.15), 68.7°(0.18), 77.7°(0.17), 83.9°(0.19), 85.0°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-194349 | 5.46 5.46 4.31
90 90 120
Ru 0.833 0.167 0.250
Ru 0.167 0.833 0.750
Ru 0.833 0.665 0.250
Ru 0.167 0.335 0.750
Ru 0.335 0.167 0.250
Ru 0.665 0.833 0.750
Tc 0.333 0.667 0.250
Tc 0.667 0.333 0.750 |
Below is a description of a material. | The chemical formula is: Cd2SiO4.
The XRD pattern shows main peaks at: 17.5°(0.68), 33.8°(1.0), 35.4°(0.48), 41.1°(0.57), 45.0°(0.3), 54.3°(0.16), 59.5°(0.47), 71.2°(0.13), 74.9°(0.1), 89.2°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-57061 | 6.21 6.21 6.21
60 60 60
Cd 0.500 0.000 0.500
Cd -0.000 0.500 0.500
Cd 0.500 0.500 0.500
Cd 0.500 0.500 0.000
Si 0.875 0.875 0.875
Si 0.125 0.125 0.125
O 0.765 0.206 0.765
O 0.235 0.235 0.794
O 0.235 0.794 0.235
O 0.765 0.765 0.765
O 0.794 0.235 0.235
O 0.765 0.765 0.206
O 0.235 0.235 0.235
O 0.206 0.765 0.765 |
Below is a description of a material. | The chemical formula is: TaBeRuRh.
The XRD pattern shows main peaks at: 25.5°(0.46), 42.3°(1.0), 50.1°(0.22), 61.4°(0.15), 77.4°(0.3).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-189186 | 4.27 4.27 4.27
60 60 60
Ru 0.000 0.000 -0.000
Rh 0.500 0.500 0.500
Be 0.750 0.750 0.750
Ta 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: CrTeO4.
The XRD pattern shows main peaks at: 17.7°(0.13), 20.6°(1.0), 21.4°(0.11), 28.1°(0.06), 33.4°(0.5), 33.8°(0.22), 35.1°(0.07), 35.6°(0.19), 41.9°(0.05), 43.2°(0.44), 43.7°(0.2), 48.5°(0.21), 58.1°(0.09), 58.7°(0.16), 60.4°(0.1), 62.3°(0.09), 63.0°(0.09), 67.3°(0.12), 68.9°(0.06), 75.4°(0... | JVASP-186273 | 4.66 3.18 5.43
90 112 90
Cr 0.500 0.500 -0.000
Te 0.500 0.000 0.500
O 0.719 0.000 0.223
O 0.729 0.500 0.766
O 0.281 0.000 0.777
O 0.271 0.500 0.234 |
Below is a description of a material. | The chemical formula is: Ca3SiBr2.
The XRD pattern shows main peaks at: 9.4°(0.25), 25.4°(0.11), 28.6°(0.41), 29.9°(1.0), 31.9°(0.47), 39.9°(0.1), 41.8°(0.56), 42.7°(0.36), 52.2°(0.27), 58.4°(0.08), 62.0°(0.11), 69.7°(0.11), 70.4°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates an... | JVASP-18554 | 4.23 4.23 9.83
102 102 90
Ca 0.000 0.000 0.000
Ca 0.648 0.648 0.296
Ca 0.352 0.352 0.704
Si 0.500 0.500 0.000
Br 0.816 0.816 0.631
Br 0.184 0.184 0.369 |
Below is a description of a material. | The chemical formula is: ZnAg3.
The XRD pattern shows main peaks at: 36.0°(0.24), 38.2°(0.25), 41.0°(1.0), 53.6°(0.14), 64.8°(0.16), 71.0°(0.19), 77.8°(0.19), 79.6°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-106994 | 5.76 5.76 4.71
90 90 120
Zn 0.333 0.667 0.750
Zn 0.667 0.333 0.250
Ag 0.168 0.337 0.250
Ag 0.663 0.832 0.250
Ag 0.168 0.832 0.250
Ag 0.832 0.663 0.750
Ag 0.337 0.168 0.750
Ag 0.832 0.168 0.750 |
Below is a description of a material. | The chemical formula is: SnO2.
The XRD pattern shows main peaks at: 20.3°(1.0), 32.6°(0.66), 34.7°(0.66), 41.2°(0.09), 42.3°(0.49), 47.3°(0.38), 56.7°(0.29), 59.1°(0.13), 60.8°(0.31), 65.8°(0.05), 66.9°(0.1), 68.2°(0.1), 73.2°(0.1), 76.9°(0.06).
Generate atomic structure description with lattice lengths, angles, coordi... | JVASP-12197 | 3.25 3.25 9.53
70 90 119
Sn 0.998 -0.000 0.502
Sn 0.998 -0.000 0.002
O 0.740 0.484 0.388
O 0.589 0.182 0.115
O 0.255 0.515 0.616
O 0.407 0.818 0.889 |
Below is a description of a material. | The chemical formula is: KP.
The XRD pattern shows main peaks at: 9.1°(1.0), 27.5°(0.7), 31.9°(0.36), 36.9°(0.64), 38.2°(0.67), 46.7°(0.23), 53.2°(0.22), 61.0°(0.17), 63.4°(0.08), 66.7°(0.08), 67.4°(0.21), 78.6°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-136892 | 3.44 3.44 9.67
90 90 90
K 0.000 0.000 0.282
K 0.500 0.500 0.718
P 0.000 0.000 0.961
P 0.500 0.500 0.039 |
Below is a description of a material. | The chemical formula is: Li2Pt.
The XRD pattern shows main peaks at: 24.7°(1.0), 33.4°(0.16), 42.0°(0.62), 43.6°(0.28), 50.7°(0.14), 56.0°(0.23), 62.1°(0.19), 69.1°(0.12), 75.7°(0.1), 78.9°(0.19), 86.3°(0.08), 89.5°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-20419 | 4.15 4.15 2.68
90 90 120
Li 0.333 0.667 0.500
Li 0.667 0.333 0.500
Pt 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: RbScO3.
The XRD pattern shows main peaks at: 29.9°(1.0), 36.9°(0.23), 42.8°(0.43), 53.1°(0.39), 62.2°(0.26), 70.5°(0.17), 74.5°(0.07), 78.5°(0.08), 86.2°(0.2).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-183403 | 4.22 4.22 4.22
90 90 90
Rb 0.000 0.000 0.000
Sc 0.500 0.500 0.500
O 0.500 0.500 0.000
O 0.000 0.500 0.500
O 0.500 0.000 0.500 |
Below is a description of a material. | The chemical formula is: SNF.
The XRD pattern shows main peaks at: 13.9°(0.11), 17.6°(0.56), 21.7°(1.0), 22.5°(0.16), 28.7°(0.71), 30.7°(0.45), 35.6°(0.44), 38.4°(0.23), 42.1°(0.12), 47.7°(0.11), 50.4°(0.17), 64.0°(0.12), 66.9°(0.16), 71.8°(0.12).
Generate atomic structure description with lattice lengths, angles, coor... | JVASP-34307 | 6.59 6.59 6.59
99 99 99
S 0.487 0.167 0.279
S 0.167 0.279 0.487
S 0.279 0.487 0.167
S 0.721 0.513 0.833
S 0.833 0.721 0.513
S 0.513 0.833 0.721
N 0.636 0.830 0.531
N 0.170 0.469 0.364
N 0.531 0.636 0.830
N 0.364 0.170 0.469
N 0.830 0.531 0.636
N 0.469 0.364 0.170
F 0.970 0.098 0.322
F 0.098 0.322 0.970
F 0.322 0.970 0.... |
Below is a description of a material. | The chemical formula is: CrOF.
The XRD pattern shows main peaks at: 25.5°(0.9), 30.9°(0.59), 31.3°(1.0), 35.5°(0.14), 36.7°(0.18), 37.4°(0.13), 40.9°(0.2), 42.0°(0.18), 42.6°(0.13), 43.8°(0.25), 49.4°(0.08), 53.7°(0.23), 54.5°(0.37), 55.4°(0.32), 55.9°(0.27), 61.4°(0.14), 63.9°(0.15), 65.4°(0.13), 66.8°(0.11), 67.8°(0.... | JVASP-113211 | 4.51 5.53 5.06
91 90 90
Cr 0.980 0.150 0.274
Cr 0.480 0.350 0.726
Cr 0.520 0.650 0.274
Cr 0.020 0.850 0.726
O 0.771 0.888 0.427
O 0.729 0.388 0.427
O 0.271 0.612 0.573
O 0.229 0.112 0.573
F 0.244 0.887 0.080
F 0.256 0.387 0.080
F 0.744 0.613 0.920
F 0.756 0.113 0.920 |
Below is a description of a material. | The chemical formula is: ThNi.
The XRD pattern shows main peaks at: 25.1°(0.18), 26.1°(0.43), 26.8°(0.5), 29.0°(0.3), 29.7°(0.23), 32.3°(0.47), 32.8°(1.0), 33.9°(0.95), 35.3°(0.19), 36.5°(0.58), 40.1°(0.62), 41.4°(0.17), 42.3°(0.49), 52.5°(0.1), 54.4°(0.31), 55.3°(0.48), 56.3°(0.12), 71.4°(0.11), 75.2°(0.1), 75.9°(0.09... | JVASP-154454 | 4.27 5.70 14.19
90 90 90
Th 0.750 0.457 0.285
Th 0.250 0.957 0.215
Th 0.250 0.543 0.715
Th 0.750 0.043 0.785
Th 0.750 0.253 0.035
Th 0.250 0.753 0.465
Th 0.250 0.747 0.965
Th 0.750 0.247 0.535
Ni 0.750 0.962 0.355
Ni 0.250 0.462 0.145
Ni 0.250 0.038 0.645
Ni 0.750 0.538 0.855
Ni 0.750 0.748 0.103
Ni 0.250 0.248 0.397
N... |
Below is a description of a material. | The chemical formula is: NdBPt4.
The XRD pattern shows main peaks at: 18.6°(0.31), 29.8°(0.38), 34.9°(0.44), 37.8°(0.93), 39.6°(0.35), 40.3°(1.0), 44.7°(0.57), 47.1°(0.12), 52.3°(0.26), 56.4°(0.13), 58.4°(0.08), 59.4°(0.05), 63.3°(0.27), 68.2°(0.39), 69.9°(0.12), 73.0°(0.32), 78.9°(0.25), 80.7°(0.07), 85.3°(0.06), 87.0... | JVASP-170116 | 5.50 5.50 7.72
90 90 120
Nd -0.000 -0.000 0.500
Nd -0.000 -0.000 0.000
B 0.667 0.333 0.000
B 0.333 0.667 0.000
Pt 0.667 0.333 0.500
Pt 0.333 0.667 0.500
Pt 0.500 0.500 0.800
Pt 0.500 0.500 0.200
Pt 0.000 0.500 0.800
Pt -0.000 0.500 0.200
Pt 0.500 0.000 0.800
Pt 0.500 -0.000 0.200 |
Below is a description of a material. | The chemical formula is: Y4S3N2.
The XRD pattern shows main peaks at: 13.7°(0.16), 18.3°(0.11), 23.1°(0.09), 24.8°(0.09), 26.4°(0.43), 27.4°(0.15), 29.7°(0.24), 32.0°(1.0), 37.1°(0.12), 38.3°(0.26), 44.2°(0.16), 45.3°(0.25), 47.5°(0.16), 48.4°(0.13), 51.6°(0.06), 52.9°(0.08), 55.1°(0.1), 57.9°(0.06), 66.9°(0.09), 78.4°... | JVASP-99410 | 6.73 3.83 10.27
90 50 73
Y 0.222 0.889 0.649
Y 0.778 0.111 0.351
Y 0.583 0.709 0.145
Y 0.417 0.291 0.855
S 0.000 0.000 0.000
S 0.781 0.609 0.783
S 0.219 0.391 0.217
N 0.565 0.718 0.361
N 0.435 0.282 0.639 |
Below is a description of a material. | The chemical formula is: InSnCl3.
The XRD pattern shows main peaks at: 15.9°(0.44), 22.2°(1.0), 23.0°(0.69), 27.5°(0.11), 32.2°(0.99), 36.7°(0.38), 39.5°(0.37), 41.0°(0.15), 45.2°(0.29), 50.8°(0.15), 56.8°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-173395 | 5.57 5.57 5.57
87 87 91
In 0.074 0.072 0.941
Sn 0.504 0.503 0.509
Cl 0.462 0.009 0.555
Cl 0.460 0.457 0.002
Cl 0.010 0.460 0.554 |
Below is a description of a material. | The chemical formula is: La2HN.
The XRD pattern shows main peaks at: 14.3°(0.08), 28.8°(0.35), 29.5°(1.0), 34.0°(0.87), 48.4°(0.29), 49.3°(0.28), 57.3°(0.13), 58.1°(0.27), 58.6°(0.14), 61.3°(0.15), 71.6°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-190444 | 3.69 3.69 6.56
73 73 60
H 0.000 0.000 -0.000
N 0.500 0.500 0.500
La 0.757 0.757 0.728
La 0.243 0.243 0.272 |
Below is a description of a material. | The chemical formula is: Nb3Ge.
The XRD pattern shows main peaks at: 34.6°(0.3), 38.8°(1.0), 42.7°(0.65), 62.0°(0.11), 64.8°(0.21), 67.6°(0.33), 73.0°(0.15), 83.4°(0.09), 85.9°(0.21), 88.4°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-19684 | 5.18 5.18 5.18
90 90 90
Nb 0.250 0.000 0.500
Nb 0.750 0.000 0.500
Nb 0.000 0.500 0.250
Nb 0.000 0.500 0.750
Nb 0.500 0.750 0.000
Nb 0.500 0.250 0.000
Ge 0.000 0.000 0.000
Ge 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Er6Co2Sn.
The XRD pattern shows main peaks at: 26.6°(0.13), 28.9°(0.18), 29.7°(0.16), 30.6°(0.28), 32.7°(1.0), 35.1°(0.59), 35.6°(0.35), 36.0°(0.2), 36.6°(0.15), 37.9°(0.12), 39.1°(0.18), 40.3°(0.15), 41.4°(0.14), 54.7°(0.1), 55.1°(0.09), 57.0°(0.14), 58.3°(0.06), 60.1°(0.07), 61.2°(0.23).
Gene... | JVASP-177464 | 8.23 8.23 8.23
106 109 112
Er 0.688 0.363 0.676
Er 0.312 0.637 0.324
Er 0.312 0.988 0.676
Er 0.688 0.012 0.324
Er 0.791 0.763 0.555
Er 0.209 0.237 0.445
Er 0.209 0.763 0.972
Er 0.791 0.237 0.028
Er 0.531 0.715 0.816
Er 0.469 0.285 0.184
Er 0.100 0.285 0.816
Er 0.900 0.715 0.184
Co 0.500 0.385 0.885
Co 0.500 0.615 0.115... |
Below is a description of a material. | The chemical formula is: Sm3Ho.
The XRD pattern shows main peaks at: 28.6°(0.21), 31.2°(0.24), 32.7°(1.0), 42.8°(0.14), 50.7°(0.18), 56.4°(0.19), 60.8°(0.21), 61.7°(0.16), 79.3°(0.08), 86.8°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-37454 | 7.20 7.20 5.74
90 90 120
Sm 0.167 0.833 0.750
Sm 0.666 0.833 0.750
Sm 0.167 0.334 0.750
Sm 0.833 0.167 0.250
Sm 0.334 0.167 0.250
Sm 0.833 0.666 0.250
Ho 0.333 0.667 0.250
Ho 0.667 0.333 0.750 |
Below is a description of a material. | The chemical formula is: Ho2Ga8Co.
The XRD pattern shows main peaks at: 16.0°(0.05), 21.0°(0.21), 31.0°(0.09), 32.2°(0.13), 34.1°(0.53), 38.8°(1.0), 40.7°(0.23), 42.8°(0.56), 44.6°(0.09), 48.2°(0.05), 54.6°(0.06), 60.6°(0.27), 62.2°(0.18), 72.9°(0.11), 75.7°(0.25), 77.0°(0.14).
Generate atomic structure description wit... | JVASP-86458 | 4.22 4.22 11.08
90 90 90
Ho 0.000 0.000 0.694
Ho 0.000 0.000 0.306
Ga 0.500 0.000 0.500
Ga 0.500 0.000 0.883
Ga 0.000 0.500 0.500
Ga 0.000 0.500 0.883
Ga 0.500 0.500 0.305
Ga 0.500 0.500 0.695
Ga 0.000 0.500 0.117
Ga 0.500 0.000 0.117
Co 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Pm3Th.
The XRD pattern shows main peaks at: 30.4°(1.0), 35.2°(0.53), 50.6°(0.39), 60.2°(0.42), 63.1°(0.13), 82.4°(0.19).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-100746 | 6.25 6.25 6.25
131 131 70
Pm 0.750 0.250 0.500
Pm 0.250 0.750 0.500
Pm 0.500 0.500 0.000
Th 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: PrCo4Si.
The XRD pattern shows main peaks at: 22.7°(0.21), 30.6°(0.35), 31.2°(0.55), 34.9°(0.17), 36.6°(0.52), 41.2°(0.4), 42.0°(0.92), 43.4°(1.0), 46.3°(0.46), 60.4°(0.25), 61.8°(0.1), 63.6°(0.31), 65.1°(0.09), 68.5°(0.26), 71.6°(0.17), 73.6°(0.1), 77.7°(0.18), 82.2°(0.1), 82.8°(0.11), 83.8°(0... | JVASP-101126 | 4.92 4.92 3.92
90 90 116
Pr 0.500 0.500 0.000
Co 0.159 0.841 0.000
Co 0.841 0.159 0.000
Co 0.000 0.500 0.500
Co 0.500 -0.000 0.500
Si 0.000 0.000 0.500 |
Below is a description of a material. | The chemical formula is: BiSe.
The XRD pattern shows main peaks at: 22.4°(0.63), 24.6°(0.78), 30.7°(1.0), 37.9°(0.3), 39.7°(0.56), 43.9°(0.41), 49.8°(0.15), 51.1°(0.23), 59.4°(0.12), 60.2°(0.07), 61.8°(0.1), 63.8°(0.13), 69.3°(0.1), 72.5°(0.19), 78.0°(0.12), 78.6°(0.06).
Generate atomic structure description with latti... | JVASP-79493 | 4.12 4.12 7.78
74 74 89
Bi 0.391 0.391 0.220
Bi 0.609 0.609 0.780
Se 0.852 0.852 0.291
Se 0.148 0.148 0.709 |
Below is a description of a material. | The chemical formula is: CrTcMoW.
The XRD pattern shows main peaks at: 25.1°(0.12), 29.0°(0.1), 41.5°(1.0), 60.2°(0.16), 75.7°(0.3).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-187438 | 4.35 4.35 4.35
60 60 60
Cr 0.250 0.250 0.250
Mo 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: LiH.
The XRD pattern shows main peaks at: 39.0°(0.82), 45.3°(1.0), 66.0°(0.54), 79.4°(0.36), 83.7°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-116271 | 4.00 4.00 2.83
134 89 90
Li 0.974 0.124 0.867
Li 0.474 0.624 0.867
H 0.974 0.624 0.867
H 0.474 0.124 0.867 |
Below is a description of a material. | The chemical formula is: H2O.
The XRD pattern shows main peaks at: 23.5°(1.0), 25.0°(0.54), 26.7°(0.44), 34.7°(0.15), 41.3°(0.5), 45.2°(0.22), 49.0°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-52605 | 4.38 4.37 7.11
90 89 120
H 0.295 0.660 0.671
H 0.431 0.930 0.952
H 0.430 0.558 0.955
H 0.415 0.527 0.486
H 0.634 0.340 0.171
H 0.501 0.070 0.452
H 0.872 0.442 0.455
H 0.887 0.473 -0.014
O 0.287 0.654 0.530
O 0.301 0.678 0.906
O 0.634 0.346 0.030
O 0.623 0.322 0.406 |
Below is a description of a material. | The chemical formula is: MnSbPd2.
The XRD pattern shows main peaks at: 23.8°(0.07), 39.4°(1.0), 56.9°(0.17), 71.4°(0.34), 84.7°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-15220 | 4.58 4.58 4.58
60 60 59
Mn 0.000 0.000 0.000
Sb 0.500 0.500 0.500
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: ZnCu2SnSe4.
The XRD pattern shows main peaks at: 26.9°(1.0), 44.6°(0.77), 52.8°(0.45), 64.9°(0.12), 82.1°(0.2).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-17430 | 5.75 5.75 7.04
114 114 90
Zn 0.000 0.000 0.000
Cu 0.250 0.750 0.500
Cu 0.750 0.250 0.500
Sn 0.500 0.500 -0.000
Se 0.625 0.625 0.730
Se 0.375 0.895 0.270
Se 0.895 0.375 0.270
Se 0.105 0.105 0.730 |
Below is a description of a material. | The chemical formula is: YH3O3.
The XRD pattern shows main peaks at: 16.3°(1.0), 28.4°(0.48), 30.1°(0.77), 33.0°(0.16), 38.3°(0.11), 41.9°(0.74), 44.1°(0.13), 50.4°(0.25), 51.4°(0.63), 58.9°(0.08), 59.9°(0.13), 67.5°(0.09), 75.0°(0.13), 81.9°(0.12).
Generate atomic structure description with lattice lengths, angles, co... | JVASP-165593 | 6.28 6.28 3.54
90 90 120
Y 0.672 0.332 0.250
Y 0.339 0.665 0.750
H 0.145 0.865 0.250
H 0.731 0.858 0.250
H 0.139 0.272 0.250
H 0.865 0.132 0.750
H 0.279 0.138 0.750
H 0.872 0.725 0.750
O 0.089 0.689 0.250
O 0.612 0.914 0.250
O 0.315 0.392 0.250
O 0.921 0.308 0.750
O 0.399 0.082 0.750
O 0.696 0.605 0.750 |
Below is a description of a material. | The chemical formula is: ScCdAu2.
The XRD pattern shows main peaks at: 26.4°(0.22), 37.7°(1.0), 46.7°(0.07), 54.4°(0.17), 61.5°(0.1), 68.1°(0.35), 80.6°(0.12), 86.7°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-39183 | 4.77 4.77 4.77
60 60 60
Sc 0.750 0.750 0.750
Cd 0.250 0.250 0.250
Au 0.500 0.500 0.500
Au 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Ba2SmGaSe5.
The XRD pattern shows main peaks at: 13.9°(0.08), 19.2°(0.2), 20.3°(0.17), 24.9°(0.13), 25.4°(0.1), 27.8°(1.0), 29.1°(0.69), 30.2°(0.72), 30.6°(0.42), 31.7°(0.26), 33.8°(0.31), 35.0°(0.37), 38.9°(0.12), 40.9°(0.66), 42.5°(0.16), 45.8°(0.11), 51.0°(0.22), 51.8°(0.27), 52.1°(0.24), 59... | JVASP-142211 | 7.37 8.81 9.54
103 103 107
Ba 0.637 0.979 0.293
Ba 0.363 0.021 0.707
Ba 0.342 0.510 0.706
Ba 0.658 0.490 0.294
Sm 0.998 0.731 0.998
Sm 0.002 0.269 0.002
Ga 0.803 0.870 0.686
Ga 0.197 0.130 0.314
Se 0.301 0.591 0.057
Se 0.699 0.409 0.943
Se 0.295 0.094 0.075
Se 0.705 0.906 0.925
Se 0.986 0.681 0.679
Se 0.981 0.152 0.683... |
Below is a description of a material. | The chemical formula is: YCo2Ge2.
The XRD pattern shows main peaks at: 17.6°(0.06), 31.9°(0.21), 35.0°(1.0), 36.7°(0.91), 45.8°(0.75), 48.5°(0.31), 50.7°(0.28), 58.9°(0.43), 64.6°(0.21), 66.7°(0.22), 75.3°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-15475 | 3.96 3.96 5.77
110 110 90
Y 0.000 0.000 0.000
Co 0.250 0.750 0.500
Co 0.750 0.250 0.500
Ge 0.628 0.628 0.257
Ge 0.372 0.372 0.743 |
Below is a description of a material. | The chemical formula is: CeH3.
The XRD pattern shows main peaks at: 28.4°(1.0), 32.5°(0.16), 33.1°(0.34), 47.1°(0.27), 47.5°(0.13), 55.6°(0.14), 56.3°(0.29), 58.8°(0.12), 76.0°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-101550 | 3.86 3.86 3.86
120 120 89
Ce 0.000 0.000 0.000
H 0.750 0.250 0.500
H 0.250 0.750 0.500
H 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: Zn2RhPt.
The XRD pattern shows main peaks at: 25.3°(0.1), 29.3°(0.17), 42.0°(1.0), 52.0°(0.05), 60.8°(0.17), 76.6°(0.34).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-187860 | 4.31 4.31 4.31
60 60 60
Zn -0.000 0.000 0.000
Zn 0.500 0.500 0.500
Rh 0.250 0.250 0.250
Pt 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: NaOF.
The XRD pattern shows main peaks at: 23.5°(1.0), 44.8°(0.45), 48.0°(0.12), 51.2°(0.55), 67.7°(0.18), 87.3°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-138860 | 4.05 4.05 3.79
90 90 120
Na 0.333 0.667 0.000
O 0.667 0.333 0.000
F 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: BaNdCuBO5.
The XRD pattern shows main peaks at: 11.7°(0.12), 22.7°(0.3), 23.5°(0.14), 32.3°(0.48), 32.9°(1.0), 40.3°(0.32), 46.3°(0.27), 48.0°(0.1), 52.1°(0.09), 53.7°(0.1), 57.9°(0.37), 59.1°(0.16), 67.5°(0.07), 68.9°(0.13), 73.6°(0.08), 77.2°(0.09), 81.7°(0.07), 87.1°(0.07).
Generate atomic s... | JVASP-21594 | 5.55 5.55 7.58
90 90 90
Ba 0.500 0.500 0.510
Ba 0.000 0.000 0.510
Nd 0.500 0.500 0.003
Nd 0.000 0.000 0.003
Cu 0.000 0.500 0.781
Cu 0.500 0.000 0.781
B 0.500 0.000 0.266
B 0.000 0.500 0.266
O 0.248 0.252 0.797
O 0.252 0.752 0.797
O 0.655 0.845 0.178
O 0.845 0.345 0.178
O 0.345 0.155 0.178
O 0.000 0.500 0.450
O 0.155 0.... |
Below is a description of a material. | The chemical formula is: DyClO.
The XRD pattern shows main peaks at: 9.5°(1.0), 19.1°(0.14), 27.9°(0.75), 28.8°(0.16), 30.0°(0.1), 31.6°(0.69), 35.4°(0.46), 38.8°(0.12), 45.2°(0.21), 47.9°(0.37), 50.8°(0.09), 53.8°(0.1), 56.3°(0.1), 58.5°(0.11), 61.0°(0.09).
Generate atomic structure description with lattice lengths, a... | JVASP-110735 | 9.54 9.54 9.54
22 22 22
Dy 0.218 0.218 0.218
Dy 0.782 0.782 0.782
Cl 0.386 0.386 0.386
Cl 0.614 0.614 0.614
O 0.136 0.136 0.136
O 0.864 0.864 0.864 |
Below is a description of a material. | The chemical formula is: CoRh3.
The XRD pattern shows main peaks at: 41.7°(1.0), 48.5°(0.46), 71.1°(0.28), 85.9°(0.35).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-126554 | 3.75 3.75 3.75
90 90 90
Co 0.000 0.500 0.000
Rh 0.000 0.000 0.500
Rh 0.500 0.500 0.500
Rh 0.500 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Mn7Pd9.
The XRD pattern shows main peaks at: 23.7°(0.07), 32.7°(0.07), 40.8°(1.0), 46.9°(0.34), 48.5°(0.15), 68.5°(0.1), 69.8°(0.19), 82.9°(0.24), 85.3°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-124104 | 6.64 6.64 6.64
108 108 111
Mn 0.500 -0.000 0.500
Mn 0.000 0.500 0.500
Mn 0.500 0.500 -0.000
Mn 0.247 0.247 0.495
Mn 0.753 0.753 0.505
Mn 0.247 0.753 -0.000
Mn 0.753 0.247 -0.000
Pd 0.512 0.259 0.253
Pd 0.488 0.741 0.747
Pd 0.007 0.259 0.747
Pd 0.259 0.007 0.747
Pd 0.993 0.741 0.253
Pd 0.741 0.993 0.253
Pd 0.259 0.512 0... |
Below is a description of a material. | The chemical formula is: RbHS.
The XRD pattern shows main peaks at: 21.8°(0.25), 26.7°(1.0), 34.7°(0.46), 41.4°(0.3), 44.4°(0.28), 55.1°(0.15), 57.5°(0.17), 62.2°(0.06), 66.8°(0.23), 79.6°(0.08), 87.8°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-135066 | 4.48 5.16 6.84
90 102 90
Rb 0.765 0.750 0.238
Rb 0.235 0.250 0.762
H 0.471 0.750 0.605
H 0.529 0.250 0.395
S 0.740 0.750 0.741
S 0.260 0.250 0.259 |
Below is a description of a material. | The chemical formula is: In3Cu.
The XRD pattern shows main peaks at: 34.5°(1.0), 40.0°(0.5), 57.9°(0.32), 69.1°(0.35), 72.7°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-110423 | 4.51 4.51 4.51
90 90 90
In 0.000 0.500 0.500
In 0.500 0.000 0.500
In 0.500 0.500 0.000
Cu 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Rb8NO3.
The XRD pattern shows main peaks at: 26.1°(0.83), 37.2°(1.0), 46.0°(0.25), 53.6°(0.17), 60.6°(0.3), 67.0°(0.3), 79.2°(0.09), 85.1°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-35183 | 6.84 6.84 6.84
90 90 90
Rb 0.253 0.253 0.253
Rb 0.747 0.747 0.253
Rb 0.747 0.253 0.747
Rb 0.253 0.747 0.747
Rb 0.253 0.253 0.747
Rb 0.747 0.747 0.747
Rb 0.747 0.253 0.253
Rb 0.253 0.747 0.253
N 0.000 0.000 0.000
O 0.000 0.500 0.500
O 0.500 0.500 0.000
O 0.500 0.000 0.500 |
Below is a description of a material. | The chemical formula is: KSbP2Se6.
The XRD pattern shows main peaks at: 8.7°(0.85), 17.0°(0.31), 19.3°(0.19), 24.4°(0.28), 26.1°(0.23), 27.5°(0.29), 28.8°(0.66), 29.2°(0.44), 29.6°(0.56), 30.8°(0.21), 31.4°(1.0), 31.8°(0.41), 32.9°(0.37), 33.5°(0.37), 35.1°(0.21), 35.5°(0.51), 36.8°(0.42), 51.8°(0.21), 52.2°(0.25), 53.... | JVASP-155007 | 7.83 6.97 10.13
88 90 90
K 0.338 0.194 0.001
K 0.838 0.806 -0.001
Sb 0.570 0.691 0.485
Sb 0.070 0.309 0.515
P 0.630 0.192 0.678
P 0.130 0.808 0.322
P 0.348 0.701 0.193
P 0.848 0.299 0.807
Se 0.934 0.564 0.692
Se 0.434 0.436 0.308
Se 0.757 0.335 0.005
Se 0.257 0.665 -0.005
Se 0.051 0.083 0.772
Se 0.932 0.574 0.322
Se 0.... |
Below is a description of a material. | The chemical formula is: Ta3Fe8Si.
The XRD pattern shows main peaks at: 11.4°(0.15), 21.7°(0.21), 23.0°(0.07), 24.6°(0.3), 31.9°(0.31), 38.1°(0.6), 41.4°(1.0), 44.3°(0.17), 45.0°(0.91), 45.9°(0.61), 47.0°(0.05), 52.4°(0.1), 64.4°(0.06), 68.9°(0.11), 71.2°(0.36), 73.7°(0.19), 77.4°(0.24), 81.6°(0.22).
Generate atomic st... | JVASP-121857 | 4.72 4.72 7.73
90 90 119
Ta 0.000 0.000 0.443
Ta 0.000 0.000 0.068
Ta 0.667 0.333 0.917
Fe 0.333 0.667 0.503
Fe 0.333 0.667 0.009
Fe 0.164 0.836 0.750
Fe 0.671 0.836 0.750
Fe 0.164 0.329 0.750
Fe 0.504 0.496 0.253
Fe 0.992 0.496 0.253
Fe 0.504 0.008 0.253
Si 0.667 0.333 0.552 |
Below is a description of a material. | The chemical formula is: Yb2IrAu.
The XRD pattern shows main peaks at: 37.1°(1.0), 53.5°(0.17), 66.9°(0.36), 79.0°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-157039 | 4.85 4.85 4.85
60 60 60
Yb 0.000 0.000 0.000
Yb 0.500 0.500 0.500
Ir 0.750 0.750 0.750
Au 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: AgBiS2.
The XRD pattern shows main peaks at: 14.0°(0.12), 25.8°(0.1), 27.1°(0.67), 31.7°(1.0), 34.8°(0.05), 44.8°(0.41), 53.1°(0.1), 55.9°(0.2), 72.0°(0.09), 74.3°(0.17), 82.6°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-172085 | 4.05 4.05 18.97
90 90 120
Ag 0.333 0.667 0.667
Ag 0.667 0.333 0.333
Ag 0.000 0.000 -0.000
Bi 0.667 0.333 0.833
Bi 0.333 0.667 0.167
Bi 0.000 0.000 0.500
S 0.667 0.333 0.587
S -0.000 0.000 0.746
S 0.333 0.667 0.920
S 0.000 -0.000 0.254
S 0.667 0.333 0.080
S 0.333 0.667 0.413 |
Below is a description of a material. | The chemical formula is: Sn3Cl.
The XRD pattern shows main peaks at: 20.6°(0.1), 23.8°(0.05), 33.9°(1.0), 40.0°(0.06), 48.7°(0.18), 60.7°(0.38), 71.4°(0.11), 81.4°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-185355 | 5.29 5.29 5.29
120 120 90
Sn 0.250 0.750 0.500
Sn 0.750 0.250 0.500
Sn 0.500 0.500 0.000
Cl -0.000 -0.000 0.000 |
Below is a description of a material. | The chemical formula is: PuSi.
The XRD pattern shows main peaks at: 15.6°(0.06), 19.5°(1.0), 29.7°(0.05), 31.6°(0.3), 35.6°(0.18), 36.0°(0.28), 40.9°(0.47), 43.9°(0.29), 47.0°(0.11), 48.3°(0.13), 48.7°(0.17), 51.5°(0.13), 55.9°(0.07), 57.7°(0.22), 61.7°(0.13), 68.1°(0.1), 70.2°(0.07), 78.7°(0.06), 81.3°(0.09).
Generate... | JVASP-149875 | 2.52 4.99 11.33
90 90 90
Pu 0.500 0.750 0.146
Pu 0.500 0.250 0.854
Pu 0.500 0.250 0.646
Pu 0.500 0.750 0.354
Si -0.000 0.750 0.590
Si 0.000 0.250 0.410
Si 0.000 0.250 0.090
Si -0.000 0.750 0.910 |
Below is a description of a material. | The chemical formula is: Ti2Fe.
The XRD pattern shows main peaks at: 18.7°(0.07), 41.6°(1.0), 43.0°(0.51), 58.2°(0.07), 62.4°(0.15), 75.1°(0.13), 77.9°(0.26).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-183049 | 5.20 2.98 2.97
90 106 106
Ti 0.535 0.148 0.430
Ti 0.146 0.454 0.735
Fe 0.841 0.801 0.083 |
Below is a description of a material. | The chemical formula is: PrAgPb.
The XRD pattern shows main peaks at: 22.9°(0.08), 23.9°(0.29), 31.3°(1.0), 36.7°(0.91), 40.9°(0.29), 43.7°(0.09), 44.3°(0.06), 46.9°(0.06), 49.0°(0.3), 56.1°(0.11), 61.0°(0.18), 62.8°(0.26), 63.9°(0.13), 66.1°(0.15), 69.0°(0.12), 76.0°(0.07), 78.1°(0.1), 84.9°(0.08), 86.5°(0.12), 87.5°(... | JVASP-17477 | 4.89 4.89 7.76
90 90 120
Pr 0.000 0.000 0.006
Pr 0.000 0.000 0.506
Ag 0.667 0.333 0.700
Ag 0.333 0.667 0.200
Pb 0.333 0.667 0.787
Pb 0.667 0.333 0.287 |
Below is a description of a material. | The chemical formula is: VH6O3F3.
The XRD pattern shows main peaks at: 16.5°(1.0), 19.2°(0.55), 32.0°(0.2), 33.4°(0.08), 37.3°(0.05), 48.0°(0.14), 51.2°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-153279 | 5.86 5.86 5.86
104 104 104
V 0.311 0.311 0.311
H 0.169 0.823 0.742
H 0.742 0.169 0.823
H 0.823 0.742 0.169
H 0.742 0.823 0.169
H 0.823 0.169 0.742
H 0.169 0.742 0.823
O 0.664 0.463 0.463
O 0.463 0.664 0.463
O 0.463 0.463 0.664
F 0.316 0.316 0.015
F 0.015 0.316 0.316
F 0.316 0.015 0.316 |
Below is a description of a material. | The chemical formula is: LiMn2NiO6.
The XRD pattern shows main peaks at: 17.7°(1.0), 36.6°(0.19), 38.4°(0.15), 41.0°(0.14), 43.4°(0.16), 48.0°(0.13), 52.2°(0.12), 56.3°(0.09), 62.6°(0.07), 66.0°(0.1), 67.1°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-117071 | 4.96 4.96 10.06
84 95 120
Li 0.354 0.854 0.250
Li 0.646 0.146 0.750
Mn 0.166 0.834 0.505
Mn 0.334 0.666 0.995
Mn 0.666 0.334 0.005
Mn 0.834 0.166 0.495
Ni 0.500 0.500 0.500
Ni 0.000 -0.000 0.000
O 0.179 0.158 0.597
O 0.658 0.679 0.903
O 0.980 0.342 0.901
O 0.020 0.658 0.099
O 0.821 0.842 0.403
O 0.654 0.981 0.103
O 0.8... |
Below is a description of a material. | The chemical formula is: ArPm3.
The XRD pattern shows main peaks at: 6.5°(1.0), 26.1°(0.2), 29.7°(0.44), 31.8°(0.64), 32.8°(0.13), 35.1°(0.34), 39.3°(0.16), 51.3°(0.16), 58.4°(0.12), 60.4°(0.06), 61.6°(0.09), 62.2°(0.13), 63.7°(0.06), 84.2°(0.08).
Generate atomic structure description with lattice lengths, angles, coor... | JVASP-125751 | 3.56 3.56 13.66
90 90 119
Ar 0.000 0.000 0.000
Pm 0.667 0.333 0.712
Pm 0.000 0.000 0.500
Pm 0.333 0.667 0.288 |
Below is a description of a material. | The chemical formula is: LiSbTe.
The XRD pattern shows main peaks at: 19.1°(1.0), 28.5°(0.43), 34.0°(0.25), 34.6°(0.48), 38.7°(0.16), 40.7°(0.28), 45.0°(0.23), 45.6°(0.22), 48.1°(0.09), 48.8°(0.17), 49.3°(0.08), 56.9°(0.1), 58.0°(0.09), 62.8°(0.1), 66.5°(0.08), 67.5°(0.06), 69.4°(0.05), 70.4°(0.1), 73.0°(0.05), 80.6°(0... | JVASP-121188 | 5.68 5.55 3.12
90 90 68
Li -0.076 -0.076 0.000
Sb 0.424 -0.076 0.000
Te -0.076 0.424 0.000 |
Below is a description of a material. | The chemical formula is: Li2MnSiO4.
The XRD pattern shows main peaks at: 16.6°(0.34), 24.4°(1.0), 28.2°(0.37), 32.9°(0.5), 33.5°(0.29), 36.0°(0.44), 37.6°(0.37), 38.1°(0.14), 42.4°(0.09), 46.3°(0.17), 48.1°(0.18), 49.5°(0.14), 58.4°(0.18), 59.5°(0.27), 64.2°(0.12), 65.8°(0.23), 70.5°(0.08), 71.5°(0.17), 73.3°(0.07), 80... | JVASP-56663 | 5.00 5.36 6.32
90 90 90
Li 0.556 0.330 0.251
Li 0.556 0.330 0.749
Li 0.056 0.670 0.751
Li 0.056 0.670 0.249
Mn 0.559 0.827 0.000
Mn 0.059 0.173 0.500
Si 0.050 0.178 0.000
Si 0.550 0.822 0.500
O 0.719 0.183 0.000
O 0.163 0.322 0.214
O 0.663 0.678 0.714
O 0.219 0.817 0.500
O 0.148 0.881 0.000
O 0.648 0.119 0.500
O 0.663 ... |
Below is a description of a material. | The chemical formula is: NbTc2Sn.
The XRD pattern shows main peaks at: 39.6°(1.0), 57.2°(0.17), 71.8°(0.35), 85.2°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-110015 | 4.55 4.55 4.55
60 60 60
Nb 0.500 0.500 0.500
Tc 0.250 0.250 0.250
Tc 0.750 0.750 0.750
Sn 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Tb4ZrAl15.
The XRD pattern shows main peaks at: 19.6°(1.0), 21.0°(0.16), 24.2°(0.57), 26.1°(0.58), 29.5°(0.87), 30.1°(0.09), 32.2°(0.25), 34.6°(0.08), 35.7°(0.64), 36.5°(0.2), 37.5°(0.54), 38.5°(0.6), 39.8°(0.68), 42.7°(0.16), 44.3°(0.31), 46.9°(0.25), 50.3°(0.15), 52.3°(0.17), 54.1°(0.16), 61.... | JVASP-155006 | 12.50 12.50 12.50
28 28 28
Tb 0.600 0.600 0.600
Tb 0.131 0.131 0.131
Tb 0.869 0.869 0.869
Tb 0.400 0.400 0.400
Zr 0.000 0.000 0.000
Al 0.883 0.883 0.428
Al 0.883 0.428 0.883
Al 0.428 0.883 0.883
Al 0.117 0.572 0.117
Al 0.117 0.117 0.572
Al 0.500 0.500 -0.000
Al 0.636 0.129 0.636
Al 0.129 0.636 0.636
Al 0.364 0.871 0.36... |
Below is a description of a material. | The chemical formula is: AlTc2Sb.
The XRD pattern shows main peaks at: 9.9°(1.0), 11.4°(0.4), 16.1°(0.19), 19.0°(0.24), 19.8°(0.23), 22.9°(0.08), 24.9°(0.12), 28.2°(0.09), 29.9°(0.16), 34.6°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-77284 | 10.10 10.77 10.77
61 62 62
Al 0.000 0.000 0.000
Tc 0.752 -0.000 0.000
Tc 0.248 0.000 -0.000
Sb 0.500 0.000 0.000 |
Below is a description of a material. | The chemical formula is: BeCrCd2.
The XRD pattern shows main peaks at: 22.3°(0.42), 32.1°(0.36), 39.4°(1.0), 45.5°(0.18), 46.0°(0.32), 51.7°(0.16), 56.8°(0.13), 66.8°(0.2), 67.2°(0.1), 71.7°(0.06), 76.4°(0.05), 80.0°(0.13), 80.8°(0.25), 84.9°(0.11).
Generate atomic structure description with lattice lengths, angles, co... | JVASP-72046 | 3.94 3.94 3.98
90 90 90
Be 0.000 0.000 0.500
Cr 0.500 0.500 0.500
Cd 0.500 0.000 0.000
Cd 0.000 0.500 0.000 |
Below is a description of a material. | The chemical formula is: BaP2Pt2.
The XRD pattern shows main peaks at: 14.9°(0.43), 26.0°(0.16), 30.0°(0.28), 33.8°(1.0), 37.0°(0.11), 43.2°(0.39), 46.0°(0.11), 53.5°(0.23), 55.7°(0.28), 58.2°(0.06), 62.8°(0.11), 71.1°(0.09), 73.3°(0.21), 78.8°(0.11), 88.8°(0.16).
Generate atomic structure description with lattice leng... | JVASP-182522 | 4.19 4.19 5.96
90 90 90
Ba -0.000 -0.000 -0.000
P 0.500 0.500 0.726
P 0.500 0.500 0.274
Pt 0.500 0.000 0.500
Pt 0.000 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Ho2FeC4.
The XRD pattern shows main peaks at: 15.1°(0.1), 28.5°(1.0), 30.6°(0.49), 31.4°(0.79), 35.8°(0.26), 37.5°(0.28), 39.1°(0.23), 41.5°(0.11), 43.5°(0.13), 45.2°(0.09), 46.4°(0.16), 53.0°(0.25), 57.3°(0.21), 60.0°(0.44), 61.6°(0.12), 62.1°(0.1), 62.6°(0.08), 63.4°(0.07), 68.6°(0.12), 80.5°... | JVASP-152727 | 6.55 6.55 6.55
134 110 86
Ho 0.801 0.645 0.156
Ho 0.199 0.355 0.844
Ho 0.488 0.145 0.344
Ho 0.512 0.855 0.656
Fe 0.000 0.750 0.750
Fe 0.000 0.250 0.250
C 0.209 0.871 0.338
C 0.791 0.129 0.662
C 0.533 0.371 0.162
C 0.467 0.629 0.838
C 0.087 0.921 0.166
C 0.913 0.079 0.834
C 0.756 0.421 0.334
C 0.244 0.579 0.666 |
Below is a description of a material. | The chemical formula is: SrSnN2.
The XRD pattern shows main peaks at: 18.2°(0.13), 19.2°(0.14), 20.8°(0.16), 26.4°(0.2), 28.2°(1.0), 29.3°(0.72), 29.9°(0.37), 30.4°(0.62), 36.5°(0.11), 37.9°(0.24), 39.3°(0.26), 40.0°(0.16), 45.9°(0.25), 48.5°(0.15), 50.6°(0.32), 54.4°(0.21), 57.7°(0.22), 60.4°(0.1), 65.6°(0.15), 80.2°(... | JVASP-145854 | 6.72 7.51 6.18
90 107 90
Sr 0.365 0.892 0.701
Sr 0.635 0.392 0.799
Sr 0.635 0.108 0.299
Sr 0.365 0.608 0.201
Sn 0.131 0.350 0.615
Sn 0.869 0.850 0.885
Sn 0.869 0.650 0.385
Sn 0.131 0.150 0.115
N 0.193 0.888 0.017
N 0.807 0.388 0.483
N 0.807 0.112 0.983
N 0.193 0.612 0.517
N 0.298 0.319 0.961
N 0.702 0.819 0.539
N 0.702... |
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