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: Bi2O3.
The XRD pattern shows main peaks at: 27.5°(1.0), 30.6°(0.13), 32.4°(0.26), 45.2°(0.31), 46.5°(0.16), 52.5°(0.13), 54.9°(0.3), 56.7°(0.1), 67.9°(0.06), 72.8°(0.1), 74.7°(0.06), 85.4°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-36671 | 3.90 3.90 5.84
90 90 90
Bi 0.000 0.500 0.224
Bi 0.500 0.000 0.776
O 0.000 0.000 0.000
O 0.000 0.000 0.500
O 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: RbZnF.
The XRD pattern shows main peaks at: 22.4°(0.85), 24.7°(1.0), 28.0°(0.29), 33.6°(0.81), 34.8°(0.07), 36.1°(0.29), 41.3°(0.17), 41.8°(0.08), 45.6°(0.11), 47.5°(0.36), 50.6°(0.11), 52.6°(0.24), 53.2°(0.23), 54.4°(0.09), 56.0°(0.16), 63.2°(0.09), 68.0°(0.11), 70.4°(0.13), 76.6°(0.08).
Gener... | JVASP-136630 | 4.37 6.38 3.97
90 90 90
Rb 0.424 -0.182 0.000
Zn -0.076 0.364 0.000
F -0.076 0.041 0.000 |
Below is a description of a material. | The chemical formula is: La4FeNi3O12.
The XRD pattern shows main peaks at: 23.1°(0.23), 32.6°(1.0), 33.2°(0.96), 40.4°(0.2), 41.2°(0.08), 47.2°(0.51), 58.5°(0.29), 59.6°(0.17), 68.3°(0.12), 69.6°(0.12), 78.0°(0.07), 78.9°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom ty... | JVASP-176472 | 5.40 5.40 9.46
73 90 61
La 0.372 0.256 0.118
La 0.879 0.245 0.632
La 0.121 0.755 0.368
La 0.628 0.744 0.882
Fe 0.500 -0.000 0.500
Ni 0.749 0.501 0.253
Ni 0.251 0.499 0.747
Ni 0.000 -0.000 -0.000
O 0.926 0.696 0.125
O 0.426 0.698 0.618
O 0.100 0.250 0.404
O 0.602 0.250 0.897
O 0.593 0.815 0.347
O 0.109 0.796 0.849
O 0.3... |
Below is a description of a material. | The chemical formula is: Ca2InAu.
The XRD pattern shows main peaks at: 20.7°(0.09), 24.0°(0.39), 34.1°(1.0), 40.3°(0.05), 42.1°(0.13), 49.1°(0.17), 55.3°(0.19), 61.1°(0.38), 71.9°(0.12), 77.0°(0.09), 82.0°(0.15), 87.0°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types... | JVASP-161340 | 5.25 5.25 5.25
60 60 60
Ca 0.500 0.500 0.500
Ca 0.000 0.000 0.000
In 0.750 0.750 0.750
Au 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: PdO.
The XRD pattern shows main peaks at: 33.1°(0.2), 33.5°(1.0), 41.6°(0.22), 54.1°(0.33), 59.4°(0.2), 60.3°(0.12), 70.8°(0.23), 84.3°(0.06), 89.7°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-19674 | 3.07 3.07 5.42
90 90 90
Pd 0.500 0.000 0.500
Pd 0.000 0.500 0.000
O 0.000 0.000 0.750
O 0.000 0.000 0.250 |
Below is a description of a material. | The chemical formula is: CaHfO3.
The XRD pattern shows main peaks at: 22.2°(0.89), 31.1°(0.26), 31.7°(1.0), 32.2°(0.21), 38.6°(0.09), 39.5°(0.08), 45.4°(0.37), 50.4°(0.1), 51.1°(0.31), 51.8°(0.06), 55.7°(0.2), 56.1°(0.12), 57.0°(0.25), 66.1°(0.13), 70.1°(0.06), 75.1°(0.08).
Generate atomic structure description with la... | JVASP-49953 | 5.57 5.75 7.99
90 90 90
Ca 0.013 0.950 0.750
Ca 0.487 0.450 0.750
Ca 0.513 0.550 0.250
Ca 0.987 0.050 0.250
Hf 0.000 0.500 0.000
Hf 0.000 0.500 0.500
Hf 0.500 0.000 0.000
Hf 0.500 0.000 0.500
O 0.801 0.799 0.055
O 0.699 0.299 0.445
O 0.699 0.299 0.055
O 0.604 0.038 0.750
O 0.396 0.962 0.250
O 0.199 0.201 0.555
O 0.301 ... |
Below is a description of a material. | The chemical formula is: Sr3PN.
The XRD pattern shows main peaks at: 15.7°(0.51), 22.3°(0.07), 27.4°(1.0), 31.8°(0.71), 35.6°(0.27), 45.5°(0.56), 48.5°(0.13), 54.0°(0.4), 56.6°(0.18), 59.1°(0.06), 66.3°(0.08), 68.7°(0.08), 73.2°(0.18), 75.4°(0.24), 77.6°(0.06), 84.1°(0.17).
Generate atomic structure description with la... | JVASP-36455 | 5.64 5.64 5.64
90 90 90
Sr 0.000 0.500 0.500
Sr 0.500 0.000 0.500
Sr 0.500 0.500 0.000
P 0.500 0.500 0.500
N 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: BaSn3Pd.
The XRD pattern shows main peaks at: 15.7°(0.05), 25.3°(0.06), 29.9°(1.0), 31.7°(0.09), 36.1°(0.6), 41.0°(0.24), 44.1°(0.15), 47.5°(0.21), 48.8°(0.11), 52.0°(0.22), 55.4°(0.12), 61.2°(0.24), 76.7°(0.07), 87.8°(0.11).
Generate atomic structure description with lattice lengths, angles, c... | JVASP-16456 | 4.97 4.97 6.65
111 111 90
Ba 0.000 0.000 0.000
Sn 0.749 0.249 0.499
Sn 0.413 0.413 0.826
Sn 0.249 0.749 0.499
Pd 0.650 0.650 0.300 |
Below is a description of a material. | The chemical formula is: YBrO.
The XRD pattern shows main peaks at: 21.0°(1.0), 22.1°(0.32), 30.7°(0.31), 38.9°(0.52), 42.7°(0.15), 44.6°(0.73), 48.6°(0.09), 50.3°(0.08), 59.1°(0.33), 70.3°(0.09), 74.3°(0.15), 79.5°(0.13), 85.9°(0.11), 87.2°(0.11).
Generate atomic structure description with lattice lengths, angles, coo... | JVASP-120037 | 4.64 4.64 4.24
90 90 120
Y 0.667 0.333 0.000
Br 0.000 0.000 0.000
O 0.333 0.667 0.000 |
Below is a description of a material. | The chemical formula is: Pr2CdPb.
The XRD pattern shows main peaks at: 32.5°(1.0), 46.6°(0.19), 57.9°(0.4), 68.0°(0.12), 77.4°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-38916 | 5.52 5.52 5.52
60 60 60
Pr 0.500 0.500 0.500
Pr 0.000 0.000 0.000
Cd 0.250 0.250 0.250
Pb 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: BaScRh.
The XRD pattern shows main peaks at: 23.6°(0.1), 28.7°(1.0), 32.7°(0.21), 40.7°(0.05), 41.4°(0.31), 51.2°(0.2), 53.8°(0.28), 56.0°(0.14), 67.9°(0.17), 72.0°(0.07), 75.6°(0.05), 83.4°(0.08), 84.8°(0.08), 86.6°(0.09).
Generate atomic structure description with lattice lengths, angles, coo... | JVASP-185926 | 4.36 4.36 5.48
90 90 120
Ba 0.000 -0.000 0.000
Sc 0.667 0.333 0.500
Rh 0.333 0.667 0.500 |
Below is a description of a material. | The chemical formula is: BeCu2Br.
The XRD pattern shows main peaks at: 14.2°(0.14), 28.2°(0.3), 28.7°(0.46), 31.7°(0.82), 40.3°(1.0), 40.7°(0.96), 43.7°(0.07), 50.2°(0.37), 52.8°(0.38), 58.3°(0.32), 60.9°(0.12), 66.2°(0.15), 67.1°(0.16), 67.9°(0.16), 73.5°(0.32), 75.6°(0.06), 76.6°(0.06), 82.5°(0.19), 87.0°(0.1).
Gener... | JVASP-67681 | 3.17 3.17 6.22
90 90 90
Be 0.000 0.000 0.435
Cu 0.000 0.000 0.094
Cu 0.500 0.500 0.275
Br 0.500 0.500 0.696 |
Below is a description of a material. | The chemical formula is: Bi2F.
The XRD pattern shows main peaks at: 11.2°(0.18), 22.5°(0.57), 27.6°(1.0), 29.9°(0.07), 34.0°(0.18), 35.9°(0.66), 39.4°(0.5), 44.3°(0.33), 45.8°(0.45), 53.0°(0.22), 54.3°(0.1), 56.8°(0.09), 58.2°(0.06), 62.0°(0.13), 64.4°(0.14), 65.6°(0.17), 69.2°(0.15), 72.6°(0.14), 74.8°(0.09), 89.2°(0.... | JVASP-136645 | 3.22 3.24 7.92
90 90 90
Bi -0.171 0.000 0.709
Bi -0.171 0.000 0.291
F 0.743 0.000 0.000 |
Below is a description of a material. | The chemical formula is: ZnCu2GeS4.
The XRD pattern shows main peaks at: 27.5°(0.87), 28.7°(0.74), 31.0°(1.0), 40.1°(0.38), 48.4°(0.58), 48.7°(0.31), 52.3°(0.86), 56.7°(0.09), 57.2°(0.4), 58.8°(0.14), 64.8°(0.06), 74.2°(0.21), 79.4°(0.06), 83.0°(0.2).
Generate atomic structure description with lattice lengths, angles, ... | JVASP-153427 | 6.23 6.54 7.48
90 90 90
Zn 0.500 0.844 0.000
Zn 0.000 0.156 0.500
Cu 0.992 0.670 0.249
Cu 0.492 0.330 0.251
Cu 0.492 0.330 0.749
Cu 0.992 0.670 0.751
Ge 0.000 0.167 0.000
Ge 0.500 0.833 0.500
S 0.634 0.178 0.000
S 0.134 0.822 0.500
S 0.121 0.839 0.000
S 0.621 0.161 0.500
S 0.625 0.661 0.255
S 0.125 0.339 0.245
S 0.125 ... |
Below is a description of a material. | The chemical formula is: SbSI.
The XRD pattern shows main peaks at: 21.1°(0.07), 27.8°(0.47), 28.9°(1.0), 35.1°(0.26), 39.6°(0.31), 47.6°(0.19), 49.8°(0.43), 51.9°(0.12), 57.3°(0.11), 63.6°(0.16), 64.9°(0.09), 65.5°(0.08), 69.0°(0.07), 79.3°(0.11), 81.0°(0.06).
Generate atomic structure description with lattice lengths... | JVASP-136831 | 4.55 4.55 8.43
90 90 90
Sb 0.500 0.000 0.826
Sb 0.000 0.500 0.174
S 0.500 0.500 0.000
S 0.000 0.000 0.000
I 0.000 0.500 0.651
I 0.500 0.000 0.349 |
Below is a description of a material. | The chemical formula is: ZrInCuRh.
The XRD pattern shows main peaks at: 39.3°(1.0), 56.8°(0.16), 71.2°(0.32), 84.5°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-189200 | 4.59 4.59 4.59
60 60 59
Rh -0.000 -0.000 0.000
Cu 0.500 0.500 0.500
Zr 0.250 0.250 0.250
In 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: Zr5Te4.
The XRD pattern shows main peaks at: 11.5°(0.13), 16.3°(0.05), 23.2°(0.17), 29.5°(0.43), 33.9°(1.0), 35.1°(0.24), 37.0°(0.39), 37.8°(0.07), 41.4°(0.41), 42.4°(0.1), 46.8°(0.2), 48.9°(0.14), 53.3°(0.05), 59.8°(0.11), 60.3°(0.11), 61.1°(0.16), 67.2°(0.19), 72.2°(0.06).
Generate atomic str... | JVASP-14671 | 3.88 7.92 7.92
86 75 75
Zr 0.000 0.000 0.000
Zr 0.310 0.058 0.322
Zr 0.632 0.678 0.058
Zr 0.368 0.322 0.942
Zr 0.690 0.942 0.678
Te 0.052 0.230 0.666
Te 0.718 0.334 0.230
Te 0.282 0.666 0.770
Te 0.948 0.770 0.334 |
Below is a description of a material. | The chemical formula is: BeCd4Ga.
The XRD pattern shows main peaks at: 19.0°(0.66), 31.2°(0.06), 36.8°(1.0), 38.5°(0.75), 44.8°(0.22), 49.0°(0.16), 59.3°(0.31), 65.2°(0.28), 68.5°(0.1), 77.2°(0.1), 78.3°(0.26), 82.5°(0.05), 85.6°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-64882 | 5.73 5.73 5.73
60 60 60
Be 0.000 0.000 0.000
Cd 0.625 0.124 0.625
Cd 0.124 0.625 0.625
Cd 0.625 0.625 0.625
Cd 0.625 0.625 0.124
Ga 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: CuI4.
The XRD pattern shows main peaks at: 24.7°(1.0), 25.6°(0.35), 31.5°(0.57), 35.9°(0.27), 42.9°(0.14), 44.6°(0.71), 48.9°(0.13), 50.7°(0.1), 52.5°(0.07), 54.2°(0.25), 59.3°(0.05), 65.3°(0.16), 67.1°(0.08), 68.1°(0.05).
Generate atomic structure description with lattice lengths, angles, coor... | JVASP-8770 | 6.23 10.25 7.63
29 65 52
Cu 0.359 0.500 0.282
I 0.001 -0.001 -0.000
I 0.500 0.001 -0.003
I 0.252 0.500 -0.014
I 0.762 0.500 -0.014 |
Below is a description of a material. | The chemical formula is: DyNbO4.
The XRD pattern shows main peaks at: 18.0°(0.11), 24.4°(1.0), 31.8°(0.83), 34.8°(0.22), 39.4°(0.06), 47.8°(0.62), 50.0°(0.17), 56.4°(0.15), 60.5°(0.19), 66.5°(0.11), 71.7°(0.15), 77.3°(0.06), 82.2°(0.13), 83.8°(0.06).
Generate atomic structure description with lattice lengths, angles, c... | JVASP-46004 | 6.16 6.16 6.16
107 107 113
Dy 0.625 0.375 0.250
Dy 0.375 0.625 0.750
Nb 0.875 0.125 0.750
Nb 0.125 0.875 0.250
O 0.691 0.134 0.943
O 0.252 0.309 0.943
O 0.866 0.309 0.557
O 0.691 0.748 0.557
O 0.309 0.252 0.443
O 0.748 0.691 0.057
O 0.134 0.691 0.443
O 0.309 0.866 0.057 |
Below is a description of a material. | The chemical formula is: ThScB8Rh8.
The XRD pattern shows main peaks at: 11.8°(0.12), 16.6°(0.16), 23.6°(0.14), 26.5°(0.11), 29.1°(0.51), 33.7°(0.21), 35.7°(0.71), 39.7°(1.0), 41.6°(0.07), 45.0°(0.31), 48.3°(0.13), 50.0°(0.08), 54.5°(0.16), 57.4°(0.09), 64.2°(0.27), 68.1°(0.07), 70.8°(0.23), 72.2°(0.12), 81.8°(0.15), 8... | JVASP-139855 | 5.33 5.33 7.50
90 90 90
Th 0.000 0.000 0.500
Sc 0.500 0.500 0.000
B 0.000 0.331 0.853
B 0.835 0.500 0.351
B 0.165 0.500 0.351
B 0.000 0.669 0.853
B 0.500 0.835 0.649
B 0.669 0.000 0.147
B 0.331 0.000 0.147
B 0.500 0.165 0.649
Rh 0.000 0.251 0.141
Rh 0.749 0.000 0.859
Rh 0.251 0.000 0.859
Rh 0.500 0.253 0.346
Rh 0.500 0... |
Below is a description of a material. | The chemical formula is: LiAlPt2.
The XRD pattern shows main peaks at: 27.4°(0.55), 30.8°(0.76), 41.7°(1.0), 44.2°(0.41), 52.8°(0.35), 56.5°(0.1), 64.2°(0.13), 65.8°(0.19), 71.2°(0.15), 73.0°(0.13), 74.4°(0.18), 79.6°(0.3).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-190447 | 4.10 4.10 4.36
118 118 90
Al 0.000 0.000 0.000
Pt 0.250 0.750 0.500
Pt 0.750 0.250 0.500
Li 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: ZrAlPt.
The XRD pattern shows main peaks at: 26.0°(0.77), 27.1°(0.6), 34.6°(0.53), 37.9°(1.0), 45.8°(0.65), 46.5°(0.52), 53.4°(0.39), 60.9°(0.15), 66.8°(0.28), 73.0°(0.28), 73.5°(0.25), 79.5°(0.12), 85.3°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and ... | JVASP-150130 | 6.86 6.86 3.96
90 90 119
Zr 0.588 0.000 0.500
Zr 0.000 0.588 0.500
Zr 0.412 0.412 0.500
Al 0.250 0.000 0.000
Al 0.000 0.250 0.000
Al 0.750 0.750 0.000
Pt 0.333 0.667 0.000
Pt 0.667 0.333 0.000
Pt -0.000 -0.000 0.500 |
Below is a description of a material. | The chemical formula is: TbSiNi4.
The XRD pattern shows main peaks at: 20.6°(0.11), 22.4°(0.23), 30.6°(0.35), 31.5°(0.49), 35.3°(0.15), 37.5°(0.52), 41.9°(0.4), 42.3°(0.82), 44.1°(1.0), 45.8°(0.45), 60.6°(0.3), 62.9°(0.1), 63.8°(0.23), 64.8°(0.09), 69.5°(0.22), 73.6°(0.14), 79.9°(0.14), 82.3°(0.11), 83.0°(0.1), 83.5°(0... | JVASP-93723 | 3.96 4.81 4.81
116 90 90
Tb 0.000 0.000 0.000
Si 0.500 0.500 0.500
Ni 0.000 0.341 0.659
Ni 0.000 0.659 0.341
Ni 0.500 -0.000 0.500
Ni 0.500 0.500 -0.000 |
Below is a description of a material. | The chemical formula is: YCBr.
The XRD pattern shows main peaks at: 12.7°(0.06), 25.5°(0.33), 26.1°(1.0), 36.8°(0.5), 37.2°(0.39), 38.7°(0.07), 45.7°(0.25), 47.2°(0.15), 53.6°(0.12), 54.8°(0.09), 59.5°(0.06), 60.6°(0.18), 66.8°(0.17), 73.2°(0.07), 74.2°(0.08), 79.2°(0.08), 84.2°(0.05).
Generate atomic structure descrip... | JVASP-120011 | 3.42 3.42 6.98
90 90 90
Y 0.000 0.000 -0.015
C 0.000 0.000 0.672
Br 0.000 0.000 0.411 |
Below is a description of a material. | The chemical formula is: Sr2BeCu.
The XRD pattern shows main peaks at: 16.3°(0.06), 21.5°(0.25), 31.7°(0.09), 32.8°(1.0), 40.4°(0.22), 46.3°(0.09), 53.0°(0.19), 58.6°(0.19), 68.7°(0.27), 83.0°(0.05), 87.5°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-68738 | 6.30 6.30 6.30
138 138 60
Sr 0.000 0.000 0.000
Sr 0.250 0.750 0.500
Be 0.500 0.500 0.000
Cu 0.750 0.250 0.500 |
Below is a description of a material. | The chemical formula is: Mn3O2F4.
The XRD pattern shows main peaks at: 27.0°(1.0), 34.1°(0.41), 39.4°(0.12), 52.0°(0.16), 52.4°(0.29), 55.6°(0.17), 64.8°(0.07), 66.2°(0.05), 67.2°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-42928 | 4.70 4.64 10.62
90 115 90
Mn 0.138 0.028 0.175
Mn 0.500 0.000 0.500
Mn 0.862 0.972 0.825
Mn 0.500 0.500 -0.000
Mn 0.862 0.528 0.325
Mn 0.138 0.472 0.675
O 0.146 0.832 0.335
O 0.854 0.332 0.165
O 0.854 0.168 0.665
O 0.146 0.668 0.835
F 0.445 0.763 0.662
F 0.555 0.237 0.338
F 0.198 0.202 0.012
F 0.445 0.737 0.162
F 0.802... |
Below is a description of a material. | The chemical formula is: AsBr2.
The XRD pattern shows main peaks at: 26.1°(0.66), 34.7°(1.0), 44.0°(0.94), 53.8°(0.09), 62.2°(0.18), 65.6°(0.3), 68.7°(0.24), 73.2°(0.1), 79.3°(0.17), 86.7°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-121285 | 5.17 5.17 3.41
90 90 120
As 0.000 0.000 0.000
Br 0.333 0.667 0.000
Br 0.667 0.333 0.000 |
Below is a description of a material. | The chemical formula is: Be2InMo.
The XRD pattern shows main peaks at: 28.0°(1.0), 31.5°(0.35), 40.0°(0.48), 42.6°(0.78), 51.7°(0.36), 57.8°(0.15), 65.4°(0.16), 67.3°(0.16), 72.8°(0.14), 74.4°(0.29), 79.7°(0.11), 86.3°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types... | JVASP-68547 | 3.19 3.19 5.69
90 90 90
Be 0.000 0.000 0.680
Be 0.000 0.000 0.320
In 0.500 0.500 0.000
Mo 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: YAlO3.
The XRD pattern shows main peaks at: 23.8°(0.35), 26.7°(0.2), 33.4°(0.23), 34.0°(1.0), 34.4°(0.25), 35.6°(0.11), 40.4°(0.06), 41.5°(0.21), 42.4°(0.27), 43.9°(0.08), 48.7°(0.32), 49.1°(0.22), 50.3°(0.14), 55.7°(0.22), 60.1°(0.1), 60.7°(0.11), 61.4°(0.37), 67.0°(0.09), 71.7°(0.15), 81.8°(0... | JVASP-57737 | 5.21 5.37 7.42
90 90 90
Y 0.012 0.946 0.750
Y 0.512 0.554 0.250
Y 0.488 0.446 0.750
Y 0.988 0.054 0.250
Al 0.000 0.500 0.000
Al 0.500 0.000 0.000
Al 0.500 0.000 0.500
Al 0.000 0.500 0.500
O 0.586 0.023 0.750
O 0.086 0.477 0.250
O 0.705 0.294 0.045
O 0.205 0.206 0.955
O 0.795 0.794 0.455
O 0.205 0.206 0.545
O 0.295 0.70... |
Below is a description of a material. | The chemical formula is: PuTaC2.
The XRD pattern shows main peaks at: 31.8°(0.37), 33.3°(1.0), 38.2°(0.84), 54.2°(0.29), 56.1°(0.27), 64.2°(0.16), 66.0°(0.29), 66.8°(0.13), 69.9°(0.14), 81.8°(0.1), 88.0°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-107743 | 5.94 5.94 5.94
32 32 32
Pu 0.000 0.000 0.000
Ta 0.500 0.500 0.500
C 0.241 0.241 0.241
C 0.759 0.759 0.759 |
Below is a description of a material. | The chemical formula is: YbCdAg2.
The XRD pattern shows main peaks at: 36.6°(1.0), 52.8°(0.15), 65.9°(0.33), 77.8°(0.1), 89.2°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-39703 | 4.91 4.91 4.91
60 60 60
Yb 0.750 0.750 0.750
Cd 0.250 0.250 0.250
Ag 0.000 0.000 0.000
Ag 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Na2SO4.
The XRD pattern shows main peaks at: 21.8°(0.09), 23.5°(0.22), 30.3°(0.52), 36.4°(1.0), 39.2°(0.13), 42.3°(0.11), 42.8°(0.37), 43.8°(0.66), 44.4°(0.3), 48.0°(0.28), 49.9°(0.1), 54.6°(0.32), 58.7°(0.18), 61.7°(0.17), 65.5°(0.14), 77.3°(0.22).
Generate atomic structure description with la... | JVASP-5128 | 4.94 4.94 8.17
90 90 119
Na 0.000 0.000 0.000
Na 0.000 0.000 0.500
Na 0.667 0.333 0.959
Na 0.333 0.667 0.041
S 0.333 0.667 0.716
S 0.667 0.333 0.284
O 0.691 0.845 0.230
O 0.155 0.309 0.230
O 0.155 0.845 0.230
O 0.845 0.155 0.770
O 0.845 0.691 0.770
O 0.309 0.155 0.770
O 0.333 0.667 0.540
O 0.667 0.333 0.460 |
Below is a description of a material. | The chemical formula is: LaMnCuGe2.
The XRD pattern shows main peaks at: 29.9°(0.28), 33.2°(1.0), 34.5°(0.97), 42.8°(0.67), 46.0°(0.12), 48.3°(0.34), 55.2°(0.43), 61.3°(0.19), 62.2°(0.21), 66.5°(0.25), 71.8°(0.06), 87.3°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom typ... | JVASP-108765 | 6.05 6.05 6.05
139 139 59
La 0.000 0.000 0.000
Mn 0.250 0.750 0.500
Cu 0.750 0.250 0.500
Ge 0.625 0.625 0.000
Ge 0.375 0.375 0.000 |
Below is a description of a material. | The chemical formula is: KFe2As2.
The XRD pattern shows main peaks at: 12.8°(0.86), 24.6°(0.12), 30.7°(1.0), 33.8°(0.06), 36.3°(0.2), 42.9°(0.45), 48.5°(0.36), 50.4°(0.11), 52.5°(0.47), 58.5°(0.29), 71.1°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-53554 | 3.75 3.75 7.42
104 104 89
K 0.000 0.000 0.000
Fe 0.250 0.750 0.500
Fe 0.750 0.250 0.500
As 0.650 0.650 0.299
As 0.350 0.350 0.701 |
Below is a description of a material. | The chemical formula is: Sr2YTlNi2O7.
The XRD pattern shows main peaks at: 7.2°(0.06), 14.5°(0.08), 24.8°(0.2), 27.9°(0.21), 29.2°(0.05), 32.4°(1.0), 33.8°(0.59), 34.6°(0.08), 36.7°(0.12), 45.2°(0.17), 48.5°(0.33), 50.7°(0.1), 56.9°(0.06), 59.5°(0.33), 62.3°(0.09), 71.0°(0.1), 80.2°(0.07), 81.0°(0.1), 88.3°(0.05).
Gene... | JVASP-9264 | 3.75 3.75 12.23
90 90 90
Sr 0.500 0.500 0.206
Sr 0.500 0.500 0.794
Y 0.500 0.500 0.500
Tl 0.000 0.000 0.000
Ni 0.000 0.000 0.357
Ni 0.000 0.000 0.643
O 0.000 0.500 0.381
O 0.500 0.000 0.381
O 0.000 0.500 0.619
O 0.500 0.000 0.619
O 0.000 0.000 0.183
O 0.000 0.000 0.817
O 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: Li4V3Fe2O10.
The XRD pattern shows main peaks at: 13.0°(0.63), 18.6°(1.0), 19.4°(0.25), 23.9°(0.35), 27.3°(0.12), 27.9°(0.21), 30.2°(0.16), 36.1°(0.08), 37.3°(0.28), 38.3°(0.08), 39.3°(0.13), 44.6°(0.66), 44.8°(0.67), 45.3°(0.57), 63.2°(0.17), 65.1°(0.29), 66.2°(0.16), 66.9°(0.13), 80.3°(0.08),... | JVASP-144870 | 4.87 5.01 7.70
111 103 98
Li 0.216 0.935 0.435
Li 0.500 0.491 0.502
Li 0.613 0.705 0.234
Li 0.804 0.103 0.592
V -0.003 0.497 0.995
V 0.333 0.099 0.097
V 0.650 0.893 0.889
Fe 0.118 0.705 0.702
Fe 0.886 0.296 0.299
O 0.870 0.683 0.460
O 0.777 0.532 0.757
O 0.546 0.095 0.334
O 0.455 0.898 0.660
O 0.030 0.086 0.862
O 0.127... |
Below is a description of a material. | The chemical formula is: SmHgPd.
The XRD pattern shows main peaks at: 32.7°(1.0), 35.4°(0.67), 40.1°(0.45), 42.6°(0.23), 47.3°(0.21), 52.7°(0.08), 60.3°(0.2), 63.7°(0.23), 65.0°(0.32), 74.6°(0.07), 78.6°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-90360 | 7.79 7.79 3.84
90 90 120
Sm 0.603 0.000 0.500
Sm -0.000 0.603 0.500
Sm 0.397 0.397 0.500
Hg 0.269 0.000 0.000
Hg 0.731 0.731 0.000
Hg -0.000 0.269 0.000
Pd 0.000 0.000 0.500
Pd 0.667 0.333 0.000
Pd 0.333 0.667 0.000 |
Below is a description of a material. | The chemical formula is: RbCdH2I3O.
The XRD pattern shows main peaks at: 12.1°(0.64), 15.8°(0.14), 20.1°(0.27), 23.7°(0.39), 24.3°(0.73), 25.7°(0.77), 26.2°(1.0), 27.1°(0.3), 27.8°(0.32), 28.2°(0.84), 31.5°(0.17), 32.9°(0.16), 33.5°(0.21), 35.5°(0.18), 37.8°(0.32), 41.0°(0.22), 42.0°(0.32), 42.6°(0.46), 43.4°(0.16), 48... | JVASP-85550 | 7.37 7.37 8.82
89 90 95
Rb 0.508 0.719 0.825
Rb 0.281 0.492 0.325
Cd 0.971 0.966 0.497
Cd 0.034 0.029 -0.003
H 0.127 0.487 0.680
H 0.513 0.873 0.180
H 0.274 0.351 0.703
H 0.649 0.726 0.203
I 0.796 0.614 0.487
I 0.386 0.204 0.987
I 0.846 0.172 0.243
I 0.828 0.154 0.743
I 0.349 -0.004 0.487
I 0.004 0.651 0.987
O 0.251 0.... |
Below is a description of a material. | The chemical formula is: IF3.
The XRD pattern shows main peaks at: 20.5°(0.37), 22.0°(0.2), 24.5°(0.48), 25.8°(1.0), 26.8°(0.26), 28.4°(0.08), 33.9°(0.08), 36.8°(0.46), 39.5°(0.14), 43.9°(0.11), 44.9°(0.09), 46.0°(0.24), 46.7°(0.32), 48.4°(0.1), 56.8°(0.08), 59.5°(0.09), 60.5°(0.12), 63.8°(0.14), 68.1°(0.1), 73.8°(0.09... | JVASP-13060 | 4.56 6.66 8.68
90 90 90
I 0.527 0.750 0.813
I 0.027 0.250 0.687
I 0.473 0.250 0.187
I 0.973 0.750 0.313
F 0.870 0.750 0.941
F 0.370 0.250 0.559
F 0.130 0.250 0.059
F 0.630 0.750 0.441
F 0.902 0.450 0.335
F 0.402 0.550 0.165
F 0.098 0.950 0.665
F 0.598 0.050 0.835
F 0.098 0.550 0.665
F 0.598 0.450 0.835
F 0.902 0.050 0.... |
Below is a description of a material. | The chemical formula is: ZrIn2Ga.
The XRD pattern shows main peaks at: 35.7°(1.0), 36.5°(0.25), 43.8°(0.29), 58.3°(0.25), 63.7°(0.09), 65.2°(0.17), 75.2°(0.21), 75.7°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-190441 | 4.13 5.72 5.72
118 111 111
Ga 0.500 0.250 0.750
Zr 0.500 0.750 0.250
In 0.000 -0.000 0.000
In 1.000 0.500 0.500 |
Below is a description of a material. | The chemical formula is: TaNbMo.
The XRD pattern shows main peaks at: 13.0°(0.15), 34.2°(0.08), 38.2°(0.27), 39.1°(1.0), 39.8°(0.23), 56.3°(0.18), 56.8°(0.08), 69.6°(0.17), 70.5°(0.09), 71.7°(0.16), 84.1°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-106727 | 7.20 6.99 2.86
82 74 23
Ta 0.662 0.662 0.338
Nb 0.337 0.337 0.663
Mo 0.001 0.001 0.999 |
Below is a description of a material. | The chemical formula is: Ni6OF11.
The XRD pattern shows main peaks at: 26.9°(0.86), 27.4°(0.91), 35.1°(1.0), 38.8°(0.17), 40.2°(0.14), 40.5°(0.15), 53.1°(0.63), 53.6°(0.55), 55.6°(0.17), 60.5°(0.17), 63.0°(0.09), 67.5°(0.13), 74.3°(0.06), 80.4°(0.06), 86.7°(0.09).
Generate atomic structure description with lattice leng... | JVASP-116873 | 10.30 10.30 3.06
90 90 142
Ni 0.000 1.000 0.000
Ni 0.493 0.507 0.500
Ni 0.169 0.831 0.500
Ni 0.341 0.659 0.000
Ni 0.664 0.336 0.000
Ni 0.832 0.168 0.500
O 0.398 0.602 0.500
F 0.029 0.364 0.000
F 0.731 0.269 0.500
F 0.271 0.729 0.500
F 0.598 0.402 0.500
F 0.698 0.698 0.000
F 0.302 0.302 0.000
F 0.636 0.971 0.000
F 0.365... |
Below is a description of a material. | The chemical formula is: LiEr2Ir.
The XRD pattern shows main peaks at: 22.5°(0.31), 26.0°(0.08), 37.2°(1.0), 43.9°(0.16), 53.6°(0.18), 58.8°(0.07), 67.0°(0.39), 79.2°(0.12), 83.6°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-41906 | 4.84 4.84 4.84
60 60 60
Li 0.750 0.750 0.750
Er 0.000 0.000 0.000
Er 0.500 0.500 0.500
Ir 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: TiAlTc2.
The XRD pattern shows main peaks at: 29.0°(0.28), 41.5°(1.0), 51.5°(0.08), 60.2°(0.18), 68.2°(0.11), 75.8°(0.35).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-180799 | 4.35 4.35 4.35
60 60 60
Ti 0.000 -0.000 0.000
Al 0.500 0.500 0.500
Tc 0.250 0.250 0.250
Tc 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: KCrNiF6.
The XRD pattern shows main peaks at: 15.0°(0.61), 29.1°(1.0), 29.4°(0.49), 30.3°(0.31), 30.8°(0.44), 46.2°(0.19), 46.9°(0.15), 50.5°(0.16), 50.9°(0.55), 51.7°(0.12), 60.2°(0.06), 75.1°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types... | JVASP-170579 | 7.18 7.07 7.23
90 59 119
K 0.784 0.392 0.358
K 0.216 0.608 0.642
Cr 0.000 0.000 0.500
Cr 0.000 0.000 -0.000
Ni 0.500 0.500 -0.000
Ni 0.500 0.000 -0.000
F 0.869 0.935 0.315
F 0.671 0.336 0.914
F 0.249 0.928 0.917
F 0.249 0.321 0.334
F 0.249 0.321 0.917
F 0.249 0.928 0.334
F 0.131 0.065 0.685
F 0.329 0.664 0.086
F 0.751 ... |
Below is a description of a material. | The chemical formula is: KTlBr3.
The XRD pattern shows main peaks at: 15.4°(1.0), 21.8°(0.39), 31.0°(0.7), 34.8°(0.55), 44.5°(0.57), 55.2°(0.19), 64.7°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-99675 | 8.15 8.15 8.15
60 60 60
K 0.750 0.750 0.750
K 0.250 0.250 0.250
Tl 0.500 0.500 0.500
Tl 0.000 0.000 0.000
Br 0.755 0.245 0.245
Br 0.245 0.245 0.755
Br 0.245 0.755 0.755
Br 0.245 0.755 0.245
Br 0.755 0.245 0.755
Br 0.755 0.755 0.245 |
Below is a description of a material. | The chemical formula is: MgSiRuRh.
The XRD pattern shows main peaks at: 29.8°(0.44), 42.7°(1.0), 53.0°(0.11), 62.0°(0.15), 70.3°(0.15), 78.2°(0.31).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-189171 | 4.24 4.24 4.24
60 60 60
Ru 0.750 0.750 0.750
Si 0.000 -0.000 -0.000
Rh 0.250 0.250 0.250
Mg 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: InKr.
The XRD pattern shows main peaks at: 11.8°(0.05), 23.8°(0.45), 29.7°(0.21), 32.1°(1.0), 38.4°(0.22), 47.3°(0.3), 48.6°(0.06), 52.8°(0.14), 58.0°(0.06), 58.6°(0.21), 63.1°(0.14), 70.2°(0.1), 73.6°(0.08), 74.6°(0.11), 86.7°(0.12).
Generate atomic structure description with lattice lengths, ... | JVASP-128502 | 3.47 3.47 7.49
90 90 119
In 0.333 0.667 0.250
Kr 0.667 0.333 0.750 |
Below is a description of a material. | The chemical formula is: SiPbO3.
The XRD pattern shows main peaks at: 23.8°(0.62), 33.9°(1.0), 41.8°(0.37), 48.7°(0.3), 54.9°(0.3), 60.7°(0.37), 71.3°(0.17), 76.4°(0.15), 81.4°(0.18), 86.3°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-37207 | 3.74 3.74 3.74
90 90 90
Si 0.500 0.500 0.500
Pb 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: MnNiGe.
The XRD pattern shows main peaks at: 27.5°(0.08), 29.3°(0.1), 38.5°(0.47), 38.9°(0.37), 41.0°(1.0), 45.8°(0.41), 47.4°(0.14), 48.4°(0.37), 49.2°(0.09), 49.9°(0.43), 52.7°(0.3), 54.0°(0.15), 55.6°(0.09), 66.6°(0.08), 71.2°(0.07), 75.5°(0.19), 76.5°(0.1), 86.8°(0.14), 87.5°(0.09), 88.9°(0... | JVASP-151869 | 3.66 5.98 7.08
90 90 90
Mn 0.250 0.035 0.821
Mn 0.750 0.465 0.321
Mn 0.750 0.965 0.179
Mn 0.250 0.535 0.679
Ni 0.250 0.142 0.441
Ni 0.750 0.358 0.941
Ni 0.750 0.858 0.559
Ni 0.250 0.642 0.059
Ge 0.250 0.751 0.374
Ge 0.750 0.749 0.874
Ge 0.750 0.249 0.626
Ge 0.250 0.251 0.126 |
Below is a description of a material. | The chemical formula is: BPd3.
The XRD pattern shows main peaks at: 23.6°(0.29), 33.6°(0.24), 41.4°(1.0), 48.2°(0.49), 54.3°(0.12), 60.0°(0.09), 70.6°(0.27), 75.5°(0.05), 85.3°(0.33).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-126454 | 3.78 3.78 3.78
90 90 90
B 0.500 0.000 0.000
Pd 0.500 0.500 0.500
Pd 0.000 0.000 0.500
Pd 0.000 0.500 0.000 |
Below is a description of a material. | The chemical formula is: ZnAsO.
The XRD pattern shows main peaks at: 21.0°(1.0), 29.8°(0.64), 36.8°(0.22), 42.7°(0.17), 48.1°(0.39), 53.0°(0.27), 62.0°(0.11), 66.2°(0.17), 70.3°(0.08), 74.3°(0.06), 82.1°(0.06), 85.9°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-135673 | 4.23 4.23 8.47
90 90 90
Zn 0.000 0.000 0.757
As 0.000 0.000 0.249
O 0.000 0.000 -0.008 |
Below is a description of a material. | The chemical formula is: Zn2AsW.
The XRD pattern shows main peaks at: 24.4°(0.17), 28.2°(0.08), 40.3°(1.0), 47.7°(0.09), 58.3°(0.16), 73.3°(0.32), 87.1°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-75653 | 4.48 4.48 4.48
60 60 60
Zn 0.000 0.000 0.000
Zn 0.250 0.250 0.250
As 0.500 0.500 0.500
W 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: BClO.
The XRD pattern shows main peaks at: 19.7°(0.5), 29.7°(0.08), 30.4°(0.07), 35.0°(1.0), 35.6°(0.23), 39.8°(0.43), 45.2°(0.32), 50.0°(0.14), 55.0°(0.15), 59.4°(0.11), 61.9°(0.14), 70.2°(0.07), 72.0°(0.06), 73.9°(0.12), 82.6°(0.11).
Generate atomic structure description with lattice lengths,... | JVASP-133740 | 3.11 2.62 9.02
90 90 90
B 0.500 0.000 0.189
B 0.000 0.500 0.811
Cl 0.000 0.000 0.338
Cl 0.500 0.500 0.662
O 0.500 0.500 0.125
O 0.000 0.000 0.875 |
Below is a description of a material. | The chemical formula is: CrOF.
The XRD pattern shows main peaks at: 20.9°(1.0), 26.5°(0.38), 33.9°(0.16), 35.2°(0.47), 36.6°(0.06), 40.2°(0.13), 42.6°(0.06), 45.7°(0.43), 47.9°(0.21), 49.9°(0.11), 51.5°(0.05), 52.6°(0.12), 57.3°(0.11), 60.6°(0.12), 61.6°(0.11), 65.8°(0.06), 67.0°(0.14), 70.6°(0.07), 81.6°(0.07).
Genera... | JVASP-142600 | 3.01 4.73 9.56
90 90 90
Cr 0.250 0.911 0.380
Cr 0.750 0.089 0.620
Cr 0.750 0.411 0.120
Cr 0.250 0.589 0.880
O 0.750 0.783 0.487
O 0.250 0.217 0.513
O 0.250 0.283 0.013
O 0.750 0.717 0.987
F 0.750 0.079 0.257
F 0.250 0.921 0.743
F 0.250 0.579 0.243
F 0.750 0.421 0.757 |
Below is a description of a material. | The chemical formula is: BaI2.
The XRD pattern shows main peaks at: 10.1°(0.28), 16.2°(1.0), 19.1°(0.12), 20.6°(0.15), 26.4°(0.18), 27.2°(0.59), 31.8°(0.74), 32.8°(0.18), 36.4°(0.13), 40.1°(0.2), 41.2°(0.1), 43.1°(0.33), 44.5°(0.13), 49.8°(0.11), 53.6°(0.08), 57.9°(0.13), 58.8°(0.13), 62.6°(0.11), 66.5°(0.09), 70.1°(0.... | JVASP-113480 | 4.94 5.46 8.77
90 90 90
Ba 0.467 0.000 0.000
I -0.033 0.000 0.741
I -0.033 0.000 0.259 |
Below is a description of a material. | The chemical formula is: BiF5.
The XRD pattern shows main peaks at: 19.5°(0.88), 24.7°(1.0), 27.7°(0.37), 37.4°(0.4), 39.6°(0.15), 41.5°(0.14), 44.5°(0.33), 46.2°(0.18), 47.2°(0.18), 50.6°(0.14), 55.6°(0.22), 57.2°(0.05), 62.5°(0.22), 63.3°(0.14), 64.7°(0.1), 66.0°(0.07), 79.9°(0.11).
Generate atomic structure descript... | JVASP-3852 | 4.35 5.05 5.05
79 64 64
Bi 0.000 0.000 0.000
F 0.702 0.196 0.399
F 0.500 0.000 -0.000
F 0.298 0.804 0.601
F 0.899 0.399 0.804
F 0.101 0.601 0.196 |
Below is a description of a material. | The chemical formula is: Zn3Co.
The XRD pattern shows main peaks at: 41.9°(1.0), 48.8°(0.51), 71.5°(0.29), 86.5°(0.34).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-37614 | 3.73 3.73 3.73
90 90 90
Zn 0.000 0.500 0.500
Zn 0.500 0.000 0.500
Zn 0.500 0.500 0.000
Co 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Hf3Rh.
The XRD pattern shows main peaks at: 36.8°(1.0), 45.5°(0.24), 59.8°(0.21), 66.1°(0.16), 78.3°(0.27).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-184155 | 3.98 3.98 5.65
110 110 90
Hf 0.250 0.750 0.500
Hf 0.750 0.250 0.500
Hf 0.500 0.500 -0.000
Rh 0.000 -0.000 -0.000 |
Below is a description of a material. | The chemical formula is: Ba3UO6.
The XRD pattern shows main peaks at: 16.7°(0.07), 19.3°(0.05), 27.4°(1.0), 39.1°(0.29), 48.4°(0.43), 56.5°(0.19), 63.9°(0.2), 70.8°(0.06), 77.5°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-106650 | 6.52 6.52 6.52
60 60 60
Ba 0.250 0.250 0.250
Ba 0.750 0.750 0.750
Ba 0.500 0.500 0.500
U 0.000 0.000 0.000
O 0.774 0.226 0.226
O 0.226 0.774 0.774
O 0.226 0.774 0.226
O 0.774 0.226 0.774
O 0.226 0.226 0.774
O 0.774 0.774 0.226 |
Below is a description of a material. | The chemical formula is: YHfRu2.
The XRD pattern shows main peaks at: 13.2°(0.18), 38.3°(1.0), 38.7°(0.46), 49.2°(0.06), 54.7°(0.08), 55.8°(0.17), 69.0°(0.15), 69.7°(0.34), 82.0°(0.09), 82.9°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-189999 | 3.29 3.29 6.71
90 90 90
Y 0.500 0.500 0.500
Ru -0.000 -0.000 0.770
Ru 0.000 0.000 0.230
Hf 0.500 0.500 -0.000 |
Below is a description of a material. | The chemical formula is: NaSrO.
The XRD pattern shows main peaks at: 11.2°(0.45), 20.2°(1.0), 22.4°(0.18), 23.2°(0.33), 28.7°(0.38), 30.4°(0.39), 30.9°(0.17), 36.8°(0.23), 39.8°(0.09), 41.1°(0.15), 42.7°(0.07), 45.1°(0.06), 46.2°(0.21), 47.3°(0.11), 47.7°(0.1), 50.6°(0.15), 52.0°(0.17), 55.0°(0.12), 63.2°(0.07), 67.1°(... | JVASP-139612 | 4.39 4.39 7.92
90 90 90
Na 0.000 0.000 0.553
Sr 0.000 0.000 0.065
O 0.000 0.000 0.811 |
Below is a description of a material. | The chemical formula is: Be2IrRu.
The XRD pattern shows main peaks at: 15.8°(0.22), 32.0°(0.99), 35.9°(0.14), 45.8°(1.0), 48.9°(0.06), 57.0°(0.39), 66.5°(0.07), 67.0°(0.14), 75.7°(0.16), 76.2°(0.27), 84.6°(0.15), 85.0°(0.29).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types... | JVASP-74497 | 2.79 2.79 5.62
90 90 90
Be 0.000 0.000 0.257
Be 0.000 0.000 0.743
Ir 0.500 0.500 0.500
Ru 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: CeSmZn2.
The XRD pattern shows main peaks at: 24.6°(0.14), 35.1°(1.0), 50.5°(0.18), 63.0°(0.35), 74.2°(0.11), 84.8°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-102107 | 5.11 5.11 5.11
60 60 60
Ce 0.500 0.500 0.500
Sm 0.000 0.000 0.000
Zn 0.250 0.250 0.250
Zn 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: ThSi.
The XRD pattern shows main peaks at: 18.7°(0.15), 22.3°(0.31), 26.0°(0.63), 27.0°(0.39), 28.4°(1.0), 31.0°(0.74), 32.2°(0.87), 34.6°(0.42), 37.1°(0.38), 38.9°(0.36), 43.1°(0.29), 48.2°(0.18), 51.1°(0.53), 51.6°(0.21), 52.4°(0.19), 54.8°(0.38), 58.2°(0.32), 66.7°(0.22), 71.5°(0.21), 84.8°(... | JVASP-18017 | 4.20 5.93 7.96
90 90 90
Th 0.250 0.125 0.180
Th 0.750 0.875 0.820
Th 0.750 0.625 0.320
Th 0.250 0.375 0.680
Si 0.250 0.632 0.040
Si 0.750 0.368 0.960
Si 0.750 0.132 0.460
Si 0.250 0.868 0.540 |
Below is a description of a material. | The chemical formula is: V4ZnS8.
The XRD pattern shows main peaks at: 14.1°(0.37), 16.4°(0.13), 18.4°(0.1), 24.6°(0.05), 32.2°(0.08), 37.2°(1.0), 46.6°(0.06), 50.5°(0.34), 56.7°(0.26), 58.6°(0.07), 69.8°(0.13), 79.3°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-58491 | 7.33 7.33 7.33
52 52 52
V 0.500 1.000 0.500
V 1.000 0.500 0.500
V 0.500 0.500 -0.000
V 0.000 0.000 0.000
Zn 0.500 0.500 0.500
S 0.755 0.257 0.755
S 0.245 0.245 0.743
S 0.245 0.743 0.245
S 0.743 0.245 0.245
S 0.256 0.256 0.256
S 0.744 0.744 0.744
S 0.257 0.755 0.755
S 0.755 0.755 0.257 |
Below is a description of a material. | The chemical formula is: BaLi2Hg2.
The XRD pattern shows main peaks at: 12.8°(0.11), 21.3°(0.23), 25.7°(0.11), 28.1°(1.0), 28.8°(0.64), 38.5°(0.36), 39.0°(0.18), 41.3°(0.27), 49.3°(0.08), 50.7°(0.36), 52.9°(0.07), 57.7°(0.23), 59.8°(0.09), 61.3°(0.16), 67.3°(0.09), 67.7°(0.13), 69.2°(0.13), 73.3°(0.06).
Generate atomic... | JVASP-158183 | 4.38 4.38 7.59
106 106 90
Ba 0.000 0.000 0.000
Li 0.750 0.250 0.500
Li 0.250 0.750 0.500
Hg 0.626 0.626 0.253
Hg 0.374 0.374 0.747 |
Below is a description of a material. | The chemical formula is: GeP2.
The XRD pattern shows main peaks at: 15.9°(0.57), 27.5°(1.0), 34.8°(0.53), 38.5°(0.14), 39.5°(0.64), 45.0°(0.46), 45.5°(0.25), 48.5°(0.07), 49.1°(0.17), 53.7°(0.47), 58.6°(0.21), 61.1°(0.07), 61.6°(0.17), 69.2°(0.12), 73.2°(0.06), 79.9°(0.19), 83.7°(0.08), 86.8°(0.12).
Generate atomic str... | JVASP-118390 | 3.99 2.58 5.56
90 90 90
Ge 0.467 0.000 0.000
P -0.033 0.000 0.698
P -0.033 0.000 0.302 |
Below is a description of a material. | The chemical formula is: NaSmCu2F8.
The XRD pattern shows main peaks at: 18.4°(0.53), 28.9°(1.0), 30.6°(0.13), 32.9°(0.17), 38.0°(0.21), 47.3°(0.17), 48.4°(0.4), 56.3°(0.3), 58.4°(0.14), 59.8°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-168805 | 5.44 5.44 6.47
114 114 90
Na 0.500 0.500 0.000
Sm 0.000 0.000 0.000
Cu 0.250 0.750 0.500
Cu 0.750 0.250 0.500
F 0.295 0.438 0.244
F 0.949 0.806 0.244
F 0.806 0.295 0.244
F 0.705 0.194 0.756
F 0.438 0.949 0.244
F 0.051 0.562 0.756
F 0.194 0.051 0.756
F 0.562 0.705 0.756 |
Below is a description of a material. | The chemical formula is: VO2.
The XRD pattern shows main peaks at: 27.6°(1.0), 37.2°(0.5), 39.4°(0.07), 42.2°(0.17), 55.2°(0.59), 56.9°(0.21), 64.3°(0.1), 65.5°(0.08), 69.9°(0.22), 72.5°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-10053 | 5.39 5.39 5.70
58 58 73
V 0.125 0.125 0.875
V 0.125 0.125 0.375
V 0.625 0.625 0.125
V 0.625 0.625 0.625
O 0.325 0.325 0.425
O 0.425 0.825 0.375
O 0.325 0.325 0.925
O 0.825 0.425 0.375
O 0.425 0.825 0.875
O 0.825 0.425 0.875
O 0.925 0.925 0.325
O 0.925 0.925 0.825 |
Below is a description of a material. | The chemical formula is: Li2Sn.
The XRD pattern shows main peaks at: 20.8°(1.0), 28.7°(0.19), 35.7°(0.52), 36.4°(0.32), 42.3°(0.17), 47.0°(0.31), 51.9°(0.18), 57.0°(0.14), 63.7°(0.1), 65.1°(0.19), 71.8°(0.09), 73.1°(0.08), 75.7°(0.06), 84.5°(0.06), 87.0°(0.1), 88.2°(0.09).
Generate atomic structure description with lat... | JVASP-139401 | 4.94 4.94 3.11
90 90 120
Li 0.333 0.667 0.000
Li 0.667 0.333 0.000
Sn 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: SrCo2P2.
The XRD pattern shows main peaks at: 15.2°(0.21), 24.8°(0.19), 30.7°(0.29), 33.1°(0.78), 37.0°(1.0), 45.8°(0.11), 48.2°(0.42), 58.2°(0.18), 58.8°(0.45), 59.7°(0.26), 64.0°(0.06), 70.5°(0.14), 83.9°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates a... | JVASP-15617 | 3.78 3.78 6.41
107 107 90
Sr 0.000 0.000 0.000
Co 0.250 0.750 0.500
Co 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: U3Bi4.
The XRD pattern shows main peaks at: 30.1°(1.0), 35.7°(0.84), 43.0°(0.18), 45.2°(0.1), 47.4°(0.15), 60.7°(0.17), 62.5°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-34768 | 8.14 8.14 8.14
109 109 109
U 0.250 0.625 0.375
U 0.375 0.250 0.625
U 0.125 0.750 0.875
U 0.875 0.125 0.750
U 0.625 0.375 0.250
U 0.750 0.875 0.125
Bi 0.157 0.157 0.157
Bi 0.843 0.500 0.000
Bi -0.000 0.843 0.500
Bi 0.500 -0.000 0.843
Bi -0.000 0.343 0.500
Bi 0.500 -0.000 0.343
Bi 0.343 0.500 0.000
Bi 0.657 0.657 0.657 |
Below is a description of a material. | The chemical formula is: K2AgAs.
The XRD pattern shows main peaks at: 14.3°(0.84), 17.9°(0.82), 20.6°(0.27), 27.0°(0.14), 29.3°(0.6), 33.0°(1.0), 35.3°(0.43), 36.2°(0.19), 37.6°(0.54), 38.4°(0.18), 41.9°(0.62), 49.8°(0.26), 53.1°(0.28), 53.9°(0.21), 54.7°(0.16), 55.5°(0.14), 56.7°(0.16), 59.9°(0.14), 61.5°(0.15), 69.0°... | JVASP-149705 | 6.34 6.34 6.03
90 90 103
K 0.683 0.029 0.250
K 0.317 0.971 0.750
K 0.029 0.683 0.250
K 0.971 0.317 0.750
Ag 0.500 0.500 0.000
Ag 0.500 0.500 0.500
As 0.236 0.236 0.250
As 0.764 0.764 0.750 |
Below is a description of a material. | The chemical formula is: BaVSi2.
The XRD pattern shows main peaks at: 12.4°(0.17), 24.9°(0.39), 26.1°(0.46), 29.0°(0.52), 36.4°(1.0), 37.2°(0.66), 37.7°(0.11), 45.3°(0.31), 53.7°(0.21), 54.0°(0.16), 58.2°(0.27), 60.0°(0.13), 60.6°(0.08), 62.1°(0.13), 64.8°(0.1), 66.5°(0.32), 67.4°(0.08), 77.2°(0.06), 79.3°(0.07), 83.1°... | JVASP-65397 | 3.42 3.42 7.16
90 90 90
Ba 0.500 0.500 0.000
V 0.500 0.500 0.500
Si 0.000 0.000 0.333
Si 0.000 0.000 0.667 |
Below is a description of a material. | The chemical formula is: As.
The XRD pattern shows main peaks at: 24.4°(0.14), 31.6°(1.0), 42.9°(0.32), 47.7°(0.34), 50.0°(0.18), 58.3°(0.17), 66.1°(0.18), 71.6°(0.07), 78.6°(0.15), 88.8°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-14603 | 4.26 4.26 4.26
53 53 53
As 0.226 0.226 0.226
As 0.774 0.774 0.774 |
Below is a description of a material. | The chemical formula is: CdN.
The XRD pattern shows main peaks at: 30.3°(1.0), 35.2°(0.39), 50.6°(0.43), 60.1°(0.4), 63.1°(0.1), 74.3°(0.06), 82.4°(0.16), 85.0°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-78362 | 3.61 3.61 3.61
60 60 60
Cd 0.000 0.000 0.000
N 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: YbAl2Ni.
The XRD pattern shows main peaks at: 22.1°(0.18), 23.5°(0.75), 24.9°(0.61), 31.1°(0.15), 34.5°(1.0), 35.3°(0.16), 37.6°(0.87), 39.2°(0.53), 42.3°(0.13), 44.1°(0.29), 51.3°(0.2), 52.7°(0.31), 53.9°(0.17), 57.0°(0.19), 60.5°(0.29), 66.1°(0.14), 69.8°(0.11), 72.2°(0.09), 75.0°(0.12), 76.5... | JVASP-91212 | 4.10 5.27 7.14
90 90 112
Yb 0.554 0.108 0.250
Yb 0.446 0.892 0.750
Al 0.160 0.320 0.944
Al 0.840 0.680 0.056
Al 0.840 0.680 0.444
Al 0.160 0.320 0.556
Ni 0.281 0.562 0.250
Ni 0.719 0.438 0.750 |
Below is a description of a material. | The chemical formula is: HfSi2Pt2.
The XRD pattern shows main peaks at: 18.0°(0.17), 23.7°(0.15), 31.1°(0.05), 35.1°(0.14), 36.1°(1.0), 44.6°(0.31), 48.6°(0.11), 51.4°(0.06), 57.9°(0.07), 58.8°(0.21), 64.8°(0.11), 65.3°(0.17), 76.6°(0.27).
Generate atomic structure description with lattice lengths, angles, coordinates ... | JVASP-184145 | 5.72 5.72 5.72
138 138 60
Hf -0.000 -0.000 0.000
Si 0.387 0.387 -0.000
Si 0.613 0.613 -0.000
Pt 0.750 0.250 0.500
Pt 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: Ho3In.
The XRD pattern shows main peaks at: 32.5°(1.0), 37.7°(0.5), 54.4°(0.32), 64.8°(0.39), 68.0°(0.12), 80.5°(0.05), 89.5°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-40970 | 4.77 4.77 4.77
90 90 90
Ho 0.000 0.500 0.500
Ho 0.500 0.000 0.500
Ho 0.500 0.500 0.000
In 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Zn2Ga2S5.
The XRD pattern shows main peaks at: 5.8°(0.57), 17.6°(0.18), 23.5°(0.39), 28.2°(0.63), 29.6°(0.24), 31.2°(0.18), 32.2°(1.0), 39.6°(0.59), 49.4°(0.67), 55.4°(0.19), 60.2°(0.15), 65.1°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types... | JVASP-90114 | 3.69 3.69 15.28
83 83 60
Zn 0.866 0.866 0.401
Zn 0.134 0.134 0.599
Ga 0.724 0.724 0.828
Ga 0.276 0.276 0.172
S 0.500 0.500 0.500
S 0.773 0.773 0.682
S 0.227 0.227 0.318
S 0.632 0.632 0.104
S 0.368 0.368 0.896 |
Below is a description of a material. | The chemical formula is: BaNa2Mg.
The XRD pattern shows main peaks at: 10.6°(0.61), 20.7°(0.4), 21.3°(0.21), 23.3°(0.76), 29.5°(0.6), 29.9°(1.0), 31.4°(0.2), 32.1°(0.12), 36.6°(0.22), 42.2°(0.21), 44.1°(0.18), 47.7°(0.11), 48.7°(0.21), 52.5°(0.43), 53.2°(0.15), 54.0°(0.11), 62.0°(0.1), 66.2°(0.11), 69.4°(0.12), 84.8°(0... | JVASP-69300 | 4.29 4.29 8.36
90 90 90
Ba 0.500 0.500 0.500
Na 0.000 0.000 0.199
Na 0.000 0.000 0.801
Mg 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: RhN.
The XRD pattern shows main peaks at: 33.7°(1.0), 39.1°(0.36), 56.6°(0.37), 67.5°(0.39), 70.9°(0.09), 84.1°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-36386 | 3.25 3.25 3.25
60 60 60
Rh 0.000 0.000 0.000
N 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: Ac3Zr.
The XRD pattern shows main peaks at: 21.9°(0.17), 28.2°(0.74), 29.4°(0.3), 30.9°(1.0), 35.2°(0.3), 40.4°(0.14), 46.4°(0.18), 48.0°(0.34), 53.3°(0.09), 56.6°(0.12), 57.3°(0.29), 58.2°(0.19), 77.3°(0.1), 78.7°(0.16).
Generate atomic structure description with lattice lengths, angles, coord... | JVASP-131424 | 3.79 3.79 12.17
90 90 119
Ac 0.667 0.333 0.224
Ac 0.000 0.000 0.500
Ac 0.333 0.667 0.776
Zr 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Zn2BrN.
The XRD pattern shows main peaks at: 27.8°(0.58), 28.8°(0.43), 29.6°(0.43), 31.2°(0.54), 31.5°(0.37), 34.7°(0.11), 35.1°(1.0), 37.6°(0.12), 38.2°(0.24), 38.8°(0.64), 41.0°(0.29), 43.5°(0.44), 45.5°(0.13), 50.4°(0.27), 53.7°(0.15), 57.8°(0.14), 59.5°(0.25), 65.8°(0.11), 68.0°(0.12), 70.2... | JVASP-153338 | 6.04 6.20 7.51
90 90 90
Zn 0.920 0.369 0.183
Zn 0.420 0.631 0.817
Zn 0.920 0.869 0.317
Zn 0.420 0.131 0.683
Zn 0.584 0.524 0.456
Zn 0.084 0.476 0.544
Zn 0.584 0.024 0.044
Zn 0.084 0.976 0.956
Br 0.873 0.581 0.876
Br 0.373 0.419 0.124
Br 0.873 0.081 0.624
Br 0.373 0.919 0.376
N 0.875 0.071 0.127
N 0.375 0.929 0.873
N 0.... |
Below is a description of a material. | The chemical formula is: ZrSc.
The XRD pattern shows main peaks at: 17.0°(0.28), 33.3°(1.0), 34.5°(0.45), 36.6°(0.98), 41.6°(0.52), 55.1°(0.23), 57.2°(0.26), 67.8°(0.11), 68.6°(0.32), 69.9°(0.13), 73.2°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-188447 | 3.22 3.22 10.40
90 90 120
Sc 0.000 -0.000 -0.000
Sc 0.000 -0.000 0.500
Zr 0.333 0.667 0.250
Zr 0.667 0.333 0.750 |
Below is a description of a material. | The chemical formula is: MgCo2O4.
The XRD pattern shows main peaks at: 18.9°(0.86), 31.0°(0.05), 36.6°(1.0), 38.2°(0.19), 44.5°(0.56), 58.9°(0.4), 64.7°(0.59), 81.9°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-46159 | 5.76 5.76 5.76
60 59 60
Mg 0.125 0.125 0.125
Mg 0.875 0.875 0.875
Co 0.500 0.500 0.000
Co 0.500 -0.000 0.500
Co 0.000 0.500 0.500
Co 0.500 0.500 0.500
O 0.264 0.264 0.264
O 0.708 0.264 0.264
O 0.736 0.736 0.292
O 0.736 0.292 0.736
O 0.264 0.708 0.264
O 0.264 0.264 0.708
O 0.292 0.736 0.736
O 0.736 0.736 0.736 |
Below is a description of a material. | The chemical formula is: BaAgSe.
The XRD pattern shows main peaks at: 20.4°(0.07), 26.2°(1.0), 30.8°(0.28), 33.4°(0.09), 37.4°(0.39), 40.8°(0.5), 49.2°(0.3), 53.9°(0.13), 60.9°(0.18), 63.4°(0.14), 69.8°(0.21), 87.9°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-114112 | 3.40 3.40 8.72
90 90 90
Ba 0.000 0.000 0.667
Ag 0.000 0.000 0.299
Se 0.000 0.000 0.004 |
Below is a description of a material. | The chemical formula is: SbRhO4.
The XRD pattern shows main peaks at: 27.0°(0.64), 27.5°(0.56), 34.0°(1.0), 38.9°(0.28), 52.3°(0.42), 52.8°(0.38), 55.7°(0.09), 56.7°(0.09), 57.4°(0.11), 63.2°(0.08), 63.9°(0.08), 64.6°(0.11), 67.3°(0.24), 71.5°(0.1), 79.9°(0.08), 81.2°(0.07), 84.1°(0.06), 84.9°(0.05).
Generate atomic st... | JVASP-53430 | 3.21 4.63 4.63
90 90 90
Sb 0.000 0.000 0.000
Rh 0.500 0.500 0.500
O 0.000 0.308 0.308
O 0.500 0.807 0.193
O 0.500 0.193 0.807
O 0.000 0.692 0.692 |
Below is a description of a material. | The chemical formula is: BaHfMg2.
The XRD pattern shows main peaks at: 20.0°(0.61), 33.0°(1.0), 38.9°(0.34), 47.3°(0.18), 51.9°(0.15), 58.9°(0.39), 62.8°(0.1), 69.2°(0.11), 72.8°(0.11), 78.8°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-51242 | 5.43 5.43 5.43
60 60 60
Ba 0.500 0.500 0.500
Hf 0.250 0.250 0.250
Mg 0.000 0.000 0.000
Mg 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: Bi2Te4Pb.
The XRD pattern shows main peaks at: 18.8°(0.05), 27.2°(1.0), 37.5°(0.35), 40.1°(0.37), 49.1°(0.19), 65.2°(0.17), 72.9°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-29975 | 14.42 14.42 14.42
17 17 17
Bi 0.427 0.427 0.427
Bi 0.573 0.573 0.573
Te 0.134 0.134 0.134
Te 0.287 0.287 0.287
Te 0.713 0.713 0.713
Te 0.866 0.866 0.866
Pb 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: TaFeS2.
The XRD pattern shows main peaks at: 15.3°(0.69), 28.0°(0.28), 30.9°(0.27), 32.1°(1.0), 40.1°(0.76), 42.2°(0.8), 43.1°(0.21), 47.1°(0.14), 51.5°(0.24), 55.7°(0.14), 58.0°(0.25), 60.3°(0.08), 63.6°(0.21), 67.2°(0.11), 67.8°(0.23), 71.7°(0.12), 74.3°(0.31), 77.8°(0.12), 84.7°(0.09), 86.5°... | JVASP-183045 | 3.18 3.18 5.78
90 90 90
Ta 0.500 0.500 0.617
Fe 0.000 -0.000 0.970
S 0.000 -0.000 0.404
S 0.500 0.500 0.019 |
Below is a description of a material. | The chemical formula is: HoB2.
The XRD pattern shows main peaks at: 23.1°(0.47), 31.5°(0.8), 39.5°(1.0), 47.3°(0.12), 56.1°(0.2), 57.9°(0.27), 61.5°(0.23), 65.8°(0.1), 70.8°(0.18), 76.4°(0.16), 82.6°(0.13), 84.9°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-20743 | 3.28 3.28 3.84
90 90 120
Ho 0.000 0.000 0.000
B 0.333 0.667 0.500
B 0.667 0.333 0.500 |
Below is a description of a material. | The chemical formula is: ZrTi2Ga.
The XRD pattern shows main peaks at: 27.3°(0.1), 39.0°(1.0), 56.3°(0.17), 70.6°(0.32), 83.7°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-180686 | 4.62 4.62 4.62
60 60 60
Zr 0.000 0.000 0.000
Ti 0.750 0.750 0.750
Ti 0.250 0.250 0.250
Ga 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: ScIrO3.
The XRD pattern shows main peaks at: 22.7°(0.65), 32.3°(1.0), 39.8°(0.08), 46.3°(0.31), 52.1°(0.29), 57.5°(0.37), 67.5°(0.18), 72.2°(0.13), 76.8°(0.17), 85.8°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-180099 | 3.92 3.92 3.92
90 90 90
Sc 0.000 0.000 0.000
Ir 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: Ti2GaAu.
The XRD pattern shows main peaks at: 22.1°(0.31), 31.5°(0.33), 38.8°(1.0), 44.8°(0.15), 45.2°(0.31), 50.9°(0.15), 55.9°(0.09), 65.6°(0.21), 70.3°(0.05), 74.9°(0.05), 78.6°(0.12), 79.2°(0.22), 83.2°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates an... | JVASP-192411 | 4.04 4.01 4.01
90 90 90
Au 0.500 0.000 0.000
Ga 0.500 0.500 0.500
Ti 0.000 -0.000 0.500
Ti 0.000 0.500 -0.000 |
Below is a description of a material. | The chemical formula is: YTlCd2.
The XRD pattern shows main peaks at: 20.9°(0.09), 34.4°(1.0), 40.6°(0.05), 49.4°(0.17), 61.6°(0.36), 72.5°(0.11), 82.8°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-182819 | 5.21 5.21 5.21
60 60 60
Y -0.000 -0.000 -0.000
Tl 0.500 0.500 0.500
Cd 0.750 0.750 0.750
Cd 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: Y3InC.
The XRD pattern shows main peaks at: 31.6°(1.0), 36.7°(0.53), 52.8°(0.37), 62.9°(0.39), 66.0°(0.12), 78.0°(0.05), 86.6°(0.15), 89.4°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-189382 | 4.90 4.90 4.90
90 90 90
Y 0.000 0.500 0.000
Y 0.000 0.000 0.500
Y 0.500 0.000 0.000
C 0.000 0.000 0.000
In 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: LiMg2Pd.
The XRD pattern shows main peaks at: 23.9°(1.0), 27.7°(0.19), 39.6°(1.0), 46.8°(0.48), 49.0°(0.05), 57.2°(0.17), 62.9°(0.2), 64.7°(0.07), 71.8°(0.34), 76.9°(0.15), 85.2°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-191447 | 4.55 4.55 4.55
60 60 60
Mg 0.250 0.250 0.250
Mg 0.750 0.750 0.750
Pd 0.500 0.500 0.500
Li -0.000 -0.000 0.000 |
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