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: LiVO2F2.
The XRD pattern shows main peaks at: 16.3°(0.5), 19.2°(0.59), 25.3°(1.0), 25.8°(0.23), 34.1°(0.15), 38.4°(0.09), 40.2°(0.33), 42.5°(0.08), 43.7°(0.06), 47.4°(0.51), 48.4°(0.06), 54.4°(0.16), 56.8°(0.15), 63.6°(0.1), 64.1°(0.12), 69.4°(0.07), 76.6°(0.09).
Generate atomic structure descr... | JVASP-147443 | 5.43 5.26 5.22
62 90 90
Li 0.584 0.250 0.500
Li 0.416 0.750 0.500
V 0.905 0.250 0.000
V 0.095 0.750 0.000
O 0.885 0.024 0.796
O 0.885 0.476 0.204
O 0.115 0.524 0.796
O 0.115 0.976 0.204
F 0.643 0.051 0.266
F 0.357 0.551 0.266
F 0.643 0.449 0.734
F 0.357 0.949 0.734 |
Below is a description of a material. | The chemical formula is: CaSbO.
The XRD pattern shows main peaks at: 12.3°(0.48), 24.8°(0.3), 25.7°(1.0), 28.6°(0.28), 36.0°(0.48), 36.7°(0.36), 37.5°(0.07), 38.8°(0.13), 44.7°(0.24), 46.0°(0.15), 52.8°(0.12), 53.5°(0.09), 57.8°(0.13), 59.2°(0.11), 59.6°(0.16), 61.2°(0.06), 64.2°(0.09), 65.6°(0.16), 72.6°(0.07), 82.1°(... | JVASP-134382 | 3.47 3.47 7.19
90 90 90
Ca 0.000 0.000 0.423
Sb 0.000 0.000 -0.027
O 0.000 0.000 0.704 |
Below is a description of a material. | The chemical formula is: NpPd3.
The XRD pattern shows main peaks at: 21.4°(0.13), 30.5°(0.12), 37.6°(1.0), 43.7°(0.49), 49.2°(0.07), 54.2°(0.05), 63.5°(0.32), 76.2°(0.38), 80.3°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-14523 | 4.14 4.14 4.14
90 90 90
Np 0.000 0.000 0.000
Pd 0.500 0.000 0.500
Pd 0.000 0.500 0.500
Pd 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: TbAsO4.
The XRD pattern shows main peaks at: 18.6°(0.17), 25.0°(1.0), 33.2°(0.76), 35.6°(0.24), 49.5°(0.61), 51.3°(0.14), 57.8°(0.17), 62.4°(0.17), 63.9°(0.12), 69.7°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-9393 | 5.97 5.97 5.97
106 106 115
Tb 0.375 0.625 0.750
Tb 0.625 0.375 0.250
As 0.875 0.125 0.750
As 0.125 0.875 0.250
O 0.301 0.233 0.432
O 0.869 0.301 0.568
O 0.233 0.301 0.932
O 0.301 0.869 0.068
O 0.131 0.699 0.432
O 0.699 0.767 0.568
O 0.699 0.131 0.932
O 0.767 0.699 0.068 |
Below is a description of a material. | The chemical formula is: EuCl3.
The XRD pattern shows main peaks at: 13.9°(1.0), 24.3°(0.45), 25.7°(0.69), 28.1°(0.2), 32.6°(0.22), 35.6°(0.98), 37.4°(0.16), 42.7°(0.36), 43.6°(0.82), 50.6°(0.15), 56.8°(0.11), 62.7°(0.22), 68.2°(0.21).
Generate atomic structure description with lattice lengths, angles, coordinates and ... | JVASP-86869 | 7.34 7.34 4.14
90 90 120
Eu 0.333 0.667 0.250
Eu 0.667 0.333 0.750
Cl 0.387 0.301 0.250
Cl 0.914 0.613 0.250
Cl 0.301 0.914 0.750
Cl 0.613 0.699 0.750
Cl 0.086 0.387 0.750
Cl 0.699 0.086 0.250 |
Below is a description of a material. | The chemical formula is: Al3Cu2.
The XRD pattern shows main peaks at: 17.5°(0.16), 24.8°(0.23), 30.5°(0.25), 43.7°(1.0), 47.4°(0.07), 63.5°(0.16), 80.2°(0.31).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-16362 | 4.15 4.15 5.07
90 90 120
Al 0.000 0.000 0.000
Al 0.333 0.667 0.651
Al 0.667 0.333 0.349
Cu 0.333 0.667 0.165
Cu 0.667 0.333 0.835 |
Below is a description of a material. | The chemical formula is: Li2FeP2O8.
The XRD pattern shows main peaks at: 12.3°(1.0), 23.2°(0.53), 25.4°(0.54), 25.7°(0.47), 30.7°(0.18), 31.7°(0.09), 34.0°(0.11), 34.6°(0.07), 36.7°(0.08), 37.9°(0.14), 40.2°(0.05), 41.1°(0.09), 42.1°(0.07), 44.3°(0.06), 46.3°(0.09), 61.7°(0.08), 67.2°(0.06), 69.4°(0.06).
Generate atomi... | JVASP-144431 | 4.93 4.73 7.25
89 96 120
Li 0.253 0.627 0.682
Li 0.747 0.373 0.318
Fe -0.000 -0.000 0.000
P 0.355 0.677 0.233
P 0.645 0.323 0.767
O 0.063 0.704 0.140
O 0.303 0.633 0.434
O 0.329 0.353 0.152
O 0.672 0.970 0.189
O 0.328 0.030 0.811
O 0.671 0.647 0.848
O 0.697 0.368 0.566
O 0.937 0.296 0.860 |
Below is a description of a material. | The chemical formula is: ZrGePd.
The XRD pattern shows main peaks at: 17.4°(0.09), 34.9°(1.0), 36.9°(0.76), 41.6°(0.45), 42.0°(0.2), 43.8°(0.25), 45.6°(0.41), 46.8°(0.21), 48.1°(0.1), 58.9°(0.05), 60.2°(0.12), 63.7°(0.11), 65.3°(0.09), 67.4°(0.14), 68.0°(0.18), 75.7°(0.15), 77.4°(0.09), 78.5°(0.17), 81.5°(0.06), 88.4°(... | JVASP-151130 | 3.98 6.72 7.78
90 90 90
Zr 0.250 0.031 0.315
Zr 0.750 0.469 0.815
Zr 0.750 0.969 0.685
Zr 0.250 0.531 0.185
Ge 0.250 0.250 0.623
Ge 0.750 0.250 0.123
Ge 0.750 0.750 0.377
Ge 0.250 0.750 0.877
Pd 0.250 0.142 0.939
Pd 0.750 0.358 0.439
Pd 0.750 0.858 0.061
Pd 0.250 0.642 0.561 |
Below is a description of a material. | The chemical formula is: BaAgO2.
The XRD pattern shows main peaks at: 29.3°(0.46), 31.9°(1.0), 42.0°(0.25), 49.4°(0.09), 53.7°(0.43), 58.5°(0.13), 60.8°(0.09), 66.7°(0.13), 69.0°(0.06), 70.4°(0.07), 81.3°(0.07), 82.0°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-169396 | 3.69 6.09 6.09
90 90 90
Ba 0.000 0.500 -0.000
Ba 0.000 0.000 0.500
Ag 0.500 0.000 -0.000
Ag 0.500 0.500 0.500
O 0.500 0.250 0.750
O 0.500 0.750 0.250
O 0.500 0.250 0.250
O 0.500 0.750 0.750 |
Below is a description of a material. | The chemical formula is: Al6Ru.
The XRD pattern shows main peaks at: 17.9°(1.0), 19.5°(0.42), 20.4°(0.16), 23.7°(0.3), 26.6°(0.75), 27.0°(0.22), 30.9°(0.29), 36.3°(0.13), 39.7°(0.53), 40.4°(0.29), 41.5°(0.85), 42.8°(0.39), 43.5°(0.94), 43.9°(0.63), 47.4°(0.14), 48.6°(0.17), 54.8°(0.13), 60.3°(0.14), 62.3°(0.16), 77.6°(... | JVASP-22743 | 5.00 5.00 9.08
90 90 97
Al 0.319 0.681 0.000
Al 0.681 0.319 0.500
Al 0.681 0.319 0.000
Al 0.319 0.681 0.500
Al 0.140 0.140 0.100
Al 0.860 0.860 0.600
Al 0.140 0.140 0.400
Al 0.860 0.860 0.900
Al 0.617 0.977 0.250
Al 0.383 0.023 0.750
Al 0.977 0.617 0.250
Al 0.023 0.383 0.750
Ru 0.462 0.462 0.250
Ru 0.538 0.538 0.750 |
Below is a description of a material. | The chemical formula is: YCdHg2.
The XRD pattern shows main peaks at: 24.8°(0.13), 35.3°(1.0), 50.9°(0.18), 57.4°(0.06), 63.4°(0.36), 74.8°(0.12), 85.5°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-79954 | 5.08 5.08 5.08
60 60 60
Y 0.750 0.750 0.750
Cd 0.250 0.250 0.250
Hg 0.000 0.000 0.000
Hg 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: PmDyRh2.
The XRD pattern shows main peaks at: 36.7°(1.0), 52.9°(0.18), 66.1°(0.35), 78.1°(0.11), 89.6°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-164883 | 4.89 4.89 4.89
60 60 60
Pm 0.750 0.750 0.750
Dy 0.250 0.250 0.250
Rh -0.000 1.000 -0.000
Rh 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: MnSb.
The XRD pattern shows main peaks at: 28.1°(0.19), 40.2°(1.0), 49.7°(0.06), 58.1°(0.18), 65.7°(0.07), 73.0°(0.33), 86.7°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-78448 | 3.18 3.18 3.18
90 90 90
Mn 0.000 0.000 0.000
Sb 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Ta2H.
The XRD pattern shows main peaks at: 37.4°(1.0), 53.5°(0.08), 54.3°(0.14), 67.5°(0.14), 67.9°(0.16), 79.7°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-18378 | 2.93 2.93 4.80
90 90 108
Ta -0.000 0.500 0.266
Ta 0.500 -0.000 0.734
H 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: GaAgO2.
The XRD pattern shows main peaks at: 29.6°(0.16), 32.1°(0.55), 33.7°(1.0), 36.1°(0.17), 38.2°(0.06), 44.2°(0.08), 46.1°(0.16), 50.7°(0.12), 55.8°(0.14), 58.3°(0.26), 59.8°(0.05), 61.3°(0.17), 63.8°(0.07), 65.9°(0.13), 69.8°(0.07), 70.9°(0.08).
Generate atomic structure description with ... | JVASP-140687 | 5.58 5.56 7.20
90 90 90
Ga -0.001 0.565 0.376
Ga 0.499 0.435 0.624
Ga 0.499 0.935 0.876
Ga -0.001 0.065 0.124
Ag 0.500 0.951 0.366
Ag 1.000 0.049 0.634
Ag 1.000 0.549 0.866
Ag 0.500 0.451 0.134
O 0.422 0.111 0.663
O 0.922 0.889 0.337
O 0.922 0.389 0.163
O 0.422 0.611 0.837
O 0.328 0.042 0.081
O 0.828 0.958 0.919
O 0.82... |
Below is a description of a material. | The chemical formula is: LiNbIr.
The XRD pattern shows main peaks at: 24.0°(0.81), 40.3°(1.0), 42.2°(0.62), 49.1°(0.12), 53.9°(0.07), 59.8°(0.33), 72.0°(0.07), 75.9°(0.31), 77.1°(0.1), 82.2°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-180556 | 4.28 4.28 2.80
90 90 120
Li 0.667 0.333 0.500
Nb -0.000 -0.000 0.000
Ir 0.333 0.667 0.500 |
Below is a description of a material. | The chemical formula is: Ho2MnNiO6.
The XRD pattern shows main peaks at: 23.4°(0.37), 23.9°(0.26), 26.3°(0.34), 32.0°(0.33), 33.6°(0.96), 33.9°(1.0), 34.2°(0.38), 34.7°(0.49), 40.4°(0.13), 42.3°(0.1), 42.9°(0.09), 43.4°(0.11), 43.8°(0.11), 47.9°(0.29), 49.1°(0.43), 53.7°(0.35), 59.7°(0.13), 61.2°(0.3), 61.9°(0.25), 65.... | JVASP-112591 | 5.60 5.18 9.00
55 90 90
Ho 0.078 0.727 0.751
Ho 0.922 0.273 0.249
Ho 0.578 0.273 0.749
Ho 0.422 0.727 0.251
Mn 0.500 0.000 0.500
Mn 0.000 0.000 0.000
Ni 0.500 0.500 0.000
Ni 0.000 0.500 0.500
O 0.683 0.356 0.448
O 0.317 0.644 0.552
O 0.706 0.765 0.058
O 0.294 0.235 0.942
O 0.206 0.235 0.442
O 0.537 0.131 0.257
O 0.037 ... |
Below is a description of a material. | The chemical formula is: Li3TiV3O8.
The XRD pattern shows main peaks at: 14.2°(0.74), 15.4°(0.53), 17.5°(0.17), 23.4°(0.86), 28.2°(0.1), 28.7°(0.57), 29.9°(0.24), 31.0°(0.09), 32.2°(0.55), 38.1°(0.08), 43.6°(0.45), 45.0°(1.0), 54.3°(0.22), 58.1°(0.12), 61.6°(0.13), 64.5°(0.28), 65.5°(0.29), 81.8°(0.1), 82.2°(0.1).
Gene... | JVASP-46671 | 4.03 6.38 6.53
106 89 108
Li 0.060 0.116 0.358
Li 0.825 0.646 0.996
Li 0.943 0.883 0.642
Ti 0.707 0.410 0.289
V 0.608 0.212 0.693
V 0.290 0.577 0.702
V 0.390 0.776 0.299
O 0.660 0.315 0.005
O 0.561 0.118 0.356
O 0.117 0.230 0.674
O 0.777 0.551 0.671
O 0.227 0.450 0.350
O 0.883 0.762 0.315
O 0.438 0.872 0.632
O 0.347 0.... |
Below is a description of a material. | The chemical formula is: YbInPd.
The XRD pattern shows main peaks at: 32.7°(1.0), 35.5°(0.82), 36.2°(0.42), 41.3°(0.37), 43.0°(0.19), 45.7°(0.24), 50.1°(0.13), 55.6°(0.15), 59.6°(0.18), 63.2°(0.19), 66.4°(0.29), 70.1°(0.09), 76.4°(0.1), 77.8°(0.08).
Generate atomic structure description with lattice lengths, angles, co... | JVASP-18117 | 7.58 7.58 3.97
90 90 120
Yb 0.404 0.000 0.500
Yb 0.596 0.596 0.500
Yb 0.000 0.404 0.500
In 0.739 0.000 0.000
In 0.261 0.261 0.000
In 0.000 0.739 0.000
Pd 0.000 0.000 0.500
Pd 0.333 0.667 0.000
Pd 0.667 0.333 0.000 |
Below is a description of a material. | The chemical formula is: LiV2OF5.
The XRD pattern shows main peaks at: 23.9°(1.0), 24.4°(0.56), 33.0°(0.31), 35.0°(0.08), 40.6°(0.19), 43.5°(0.05), 48.8°(0.18), 49.9°(0.09), 53.7°(0.27), 54.2°(0.11), 56.4°(0.09), 62.2°(0.06), 63.0°(0.08), 64.3°(0.08).
Generate atomic structure description with lattice lengths, angles, ... | JVASP-48538 | 5.04 5.06 5.42
91 117 118
Li 0.701 0.346 0.083
V 0.323 0.679 0.985
V 0.323 0.151 0.455
O 0.415 0.009 0.219
F 0.233 0.298 0.748
F 0.153 0.398 0.216
F 0.813 0.533 0.720
F 0.478 0.939 0.750
F 0.814 0.758 0.236 |
Below is a description of a material. | The chemical formula is: MnBeTc2.
The XRD pattern shows main peaks at: 15.2°(0.28), 30.6°(0.07), 31.3°(0.06), 34.9°(0.7), 44.3°(1.0), 44.8°(0.62), 46.7°(0.14), 47.6°(0.06), 55.2°(0.05), 65.2°(0.19), 66.7°(0.19), 72.8°(0.06), 76.1°(0.13), 81.3°(0.1), 82.3°(0.31), 84.0°(0.09).
Generate atomic structure description with l... | JVASP-67671 | 2.86 2.86 5.83
90 90 90
Mn 0.500 0.500 0.723
Be 0.000 0.000 0.524
Tc 0.000 0.000 0.968
Tc 0.500 0.500 0.285 |
Below is a description of a material. | The chemical formula is: NaSO3F.
The XRD pattern shows main peaks at: 13.8°(0.16), 23.2°(1.0), 27.8°(0.07), 32.5°(0.4), 33.7°(0.15), 35.5°(0.11), 43.3°(0.06), 46.6°(0.17), 47.5°(0.19), 58.0°(0.05), 68.0°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-124120 | 5.51 5.51 6.41
90 90 120
Na 0.000 0.000 0.500
Na 0.000 0.000 0.000
S 0.333 0.667 0.286
S 0.667 0.333 0.714
O 0.185 0.815 0.238
O 0.185 0.371 0.238
O 0.629 0.815 0.238
O 0.815 0.185 0.762
O 0.815 0.629 0.762
O 0.371 0.185 0.762
F 0.333 0.667 0.540
F 0.667 0.333 0.460 |
Below is a description of a material. | The chemical formula is: UCo2Ge2.
The XRD pattern shows main peaks at: 19.0°(0.07), 23.9°(0.36), 31.2°(0.32), 36.3°(0.8), 36.8°(1.0), 38.4°(0.08), 44.7°(0.58), 51.3°(0.1), 53.9°(0.29), 58.9°(0.41), 60.4°(0.1), 65.1°(0.18), 72.6°(0.23), 73.9°(0.06), 77.1°(0.25), 89.4°(0.08).
Generate atomic structure description with la... | JVASP-151333 | 4.05 4.05 9.37
90 90 90
U 0.250 0.250 0.757
U 0.750 0.750 0.243
Co 0.750 0.250 0.000
Co 0.250 0.750 0.000
Co 0.250 0.250 0.372
Co 0.750 0.750 0.628
Ge 0.750 0.250 0.500
Ge 0.250 0.750 0.500
Ge 0.250 0.250 0.130
Ge 0.750 0.750 0.870 |
Below is a description of a material. | The chemical formula is: SnHgAu.
The XRD pattern shows main peaks at: 22.9°(0.36), 26.6°(0.06), 37.9°(1.0), 44.8°(0.2), 54.7°(0.17), 60.1°(0.08), 68.5°(0.34), 73.3°(0.06), 81.0°(0.12), 85.6°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-160958 | 4.75 4.75 4.75
60 60 60
Sn 0.750 0.750 0.750
Hg 0.250 0.250 0.250
Au 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: ZrCo4Sn.
The XRD pattern shows main peaks at: 37.0°(0.52), 43.7°(1.0), 45.7°(0.26), 66.6°(0.19), 71.3°(0.3), 78.7°(0.26).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-183980 | 4.86 4.86 4.86
60 60 60
Zr -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: TaTc2As.
The XRD pattern shows main peaks at: 24.4°(0.07), 28.3°(0.06), 40.4°(1.0), 58.5°(0.16), 73.5°(0.34), 87.4°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-75491 | 4.46 4.46 4.46
60 60 60
Ta 0.750 0.750 0.750
Tc 0.000 0.000 0.000
Tc 0.250 0.250 0.250
As 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Pa3P4.
The XRD pattern shows main peaks at: 26.3°(1.0), 34.1°(0.69), 49.0°(0.37).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-56961 | 7.20 7.20 7.20
109 109 109
Pa 0.125 0.750 0.875
Pa 0.625 0.375 0.250
Pa 0.375 0.250 0.625
Pa 0.750 0.875 0.125
Pa 0.250 0.625 0.375
Pa 0.875 0.125 0.750
P 0.658 0.658 0.658
P 0.000 0.842 0.500
P 0.842 0.500 -0.000
P 0.000 0.342 0.500
P 0.500 -0.000 0.842
P 0.500 -0.000 0.342
P 0.342 0.500 -0.000
P 0.158 0.158 0.158 |
Below is a description of a material. | The chemical formula is: ZrPt3.
The XRD pattern shows main peaks at: 26.2°(0.06), 36.2°(0.08), 37.5°(0.44), 38.4°(0.36), 41.2°(1.0), 46.8°(0.22), 53.8°(0.05), 62.1°(0.1), 65.1°(0.22), 78.2°(0.27), 80.0°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-168574 | 5.73 5.73 9.37
90 90 119
Zr -0.000 0.000 0.500
Zr -0.000 0.000 -0.000
Zr 0.667 0.333 0.750
Zr 0.333 0.667 0.250
Pt 0.500 0.000 0.500
Pt 0.500 0.500 0.500
Pt -0.000 0.500 0.500
Pt 0.500 0.000 -0.000
Pt 0.500 0.500 -0.000
Pt -0.000 0.500 -0.000
Pt 0.169 0.831 0.750
Pt 0.661 0.831 0.750
Pt 0.169 0.339 0.750
Pt 0.831 0.169... |
Below is a description of a material. | The chemical formula is: FeN2Cl2.
The XRD pattern shows main peaks at: 18.4°(1.0), 25.4°(0.57), 32.1°(0.36), 37.9°(0.81), 40.9°(0.11), 46.1°(0.42), 49.1°(0.08), 51.0°(0.16), 52.1°(0.15), 53.6°(0.13), 55.6°(0.12), 57.2°(0.08), 60.2°(0.09), 62.0°(0.07), 64.1°(0.07), 66.2°(0.27), 78.0°(0.08), 79.7°(0.07), 80.9°(0.07), 86.... | JVASP-93264 | 3.42 4.82 4.82
86 90 90
Fe 0.000 0.500 0.500
N 0.000 0.743 0.743
N 0.000 0.257 0.257
Cl 0.500 0.739 0.261
Cl 0.500 0.261 0.739 |
Below is a description of a material. | The chemical formula is: Li2MnOF3.
The XRD pattern shows main peaks at: 18.6°(0.85), 19.4°(1.0), 20.8°(0.98), 23.3°(0.95), 28.8°(0.76), 31.9°(0.34), 34.5°(0.45), 35.0°(0.39), 35.2°(0.34), 36.1°(0.29), 37.8°(0.56), 38.2°(0.4), 39.3°(0.28), 42.3°(0.7), 47.5°(0.43), 48.5°(0.49), 50.4°(0.38), 55.4°(0.41), 59.7°(0.27), 67.1... | JVASP-40708 | 5.66 5.66 5.82
61 83 113
Li 0.482 0.992 0.497
Li 0.484 0.494 0.522
Li 0.897 0.750 0.853
Li 0.011 0.521 0.497
Mn 0.515 0.981 0.004
Mn 0.044 0.274 0.182
O 0.714 0.958 0.236
O 0.305 0.549 0.236
F 0.791 0.031 0.677
F 0.813 0.461 0.226
F 0.712 0.442 0.762
F 0.295 0.025 0.762
F 0.211 1.000 0.290
F 0.225 0.521 0.754 |
Below is a description of a material. | The chemical formula is: CaZn3.
The XRD pattern shows main peaks at: 15.8°(0.25), 32.0°(0.29), 38.0°(1.0), 40.7°(0.23), 42.8°(0.05), 47.7°(0.08), 52.7°(0.13), 53.3°(0.12), 57.1°(0.14), 70.6°(0.08), 72.4°(0.23), 73.9°(0.06), 87.9°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-94257 | 6.46 6.46 4.43
90 90 120
Ca 0.667 0.333 0.250
Ca 0.333 0.667 0.750
Zn 0.144 0.287 0.250
Zn 0.713 0.856 0.250
Zn 0.144 0.856 0.250
Zn 0.287 0.144 0.750
Zn 0.856 0.144 0.750
Zn 0.856 0.713 0.750 |
Below is a description of a material. | The chemical formula is: ZrMnF3.
The XRD pattern shows main peaks at: 18.4°(0.39), 23.9°(0.76), 28.1°(0.59), 35.8°(1.0), 37.2°(0.15), 39.1°(0.21), 41.9°(0.23), 44.4°(0.33), 48.8°(0.34), 50.3°(0.55), 54.8°(0.15), 57.2°(0.16), 63.3°(0.11), 66.2°(0.14), 66.9°(0.08), 68.7°(0.08), 72.2°(0.14), 72.8°(0.08), 80.6°(0.11), 84.0... | JVASP-118285 | 4.89 4.89 2.94
89 89 98
Zr 0.911 0.911 0.000
Mn 0.302 0.302 0.500
F 0.566 0.566 -0.000
F 0.069 0.641 0.500
F 0.641 0.069 0.500 |
Below is a description of a material. | The chemical formula is: Er3CoSi3.
The XRD pattern shows main peaks at: 23.4°(0.45), 27.1°(0.23), 27.9°(0.38), 29.5°(0.13), 33.0°(0.15), 34.1°(1.0), 34.5°(0.62), 35.2°(0.07), 35.8°(0.13), 38.8°(0.18), 40.5°(0.08), 42.0°(0.25), 43.7°(0.35), 52.2°(0.08), 52.7°(0.14), 55.2°(0.13), 55.9°(0.07), 57.0°(0.13), 58.6°(0.07), 67... | JVASP-86091 | 4.14 5.58 12.66
84 80 68
Er 0.747 0.734 0.771
Er 0.400 0.281 0.919
Er 0.600 0.719 0.081
Er 0.476 0.669 0.380
Er 0.253 0.266 0.229
Er 0.524 0.331 0.620
Co 0.753 0.078 0.416
Co 0.247 0.922 0.584
Si 0.051 0.139 0.758
Si 0.140 0.265 0.456
Si 0.860 0.735 0.544
Si 0.949 0.861 0.242
Si 0.883 0.159 0.076
Si 0.117 0.841 0.924 |
Below is a description of a material. | The chemical formula is: ScAlOs2.
The XRD pattern shows main peaks at: 28.6°(0.63), 40.9°(1.0), 50.6°(0.19), 59.2°(0.17), 67.0°(0.25), 74.4°(0.38), 88.5°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-180178 | 4.42 4.42 4.42
60 60 60
Sc 0.500 0.500 0.500
Al -0.000 0.000 0.000
Os 0.750 0.750 0.750
Os 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: BeSn2Se.
The XRD pattern shows main peaks at: 10.3°(0.29), 26.9°(0.08), 28.9°(0.96), 31.2°(0.44), 34.2°(1.0), 38.4°(0.63), 39.9°(0.06), 41.7°(0.17), 50.3°(0.47), 55.5°(0.21), 58.3°(0.08), 60.7°(0.2), 63.7°(0.21), 65.0°(0.22), 66.8°(0.31), 67.6°(0.06), 71.7°(0.08), 82.3°(0.08), 86.7°(0.15).
Gene... | JVASP-71589 | 3.31 3.31 8.60
90 90 90
Be 0.000 0.000 0.663
Sn 0.000 0.000 0.971
Sn 0.500 0.500 0.248
Se 0.500 0.500 0.618 |
Below is a description of a material. | The chemical formula is: BaBe2Br.
The XRD pattern shows main peaks at: 20.8°(1.0), 25.2°(0.09), 28.2°(0.24), 29.6°(0.54), 35.3°(0.62), 41.3°(0.36), 42.4°(0.18), 47.6°(0.21), 51.6°(0.17), 56.3°(0.3), 61.4°(0.06), 62.5°(0.11), 66.7°(0.09), 68.9°(0.08), 69.7°(0.08), 72.9°(0.07), 74.6°(0.06), 76.8°(0.11), 78.5°(0.11), 88.1... | JVASP-65644 | 4.27 4.27 6.34
90 90 90
Ba 0.500 0.500 0.500
Be 0.000 0.000 0.833
Be 0.000 0.000 0.167
Br 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: GePb3.
The XRD pattern shows main peaks at: 18.2°(0.1), 25.9°(0.08), 31.8°(1.0), 36.9°(0.5), 41.4°(0.05), 53.2°(0.32), 63.3°(0.43), 66.5°(0.11), 78.5°(0.06), 87.2°(0.19).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-126385 | 4.87 4.87 4.87
90 90 90
Ge 0.000 0.500 0.000
Pb 0.000 0.000 0.500
Pb 0.500 0.500 0.500
Pb 0.500 0.000 0.000 |
Below is a description of a material. | The chemical formula is: TbZn2.
The XRD pattern shows main peaks at: 23.1°(0.21), 33.5°(0.15), 34.3°(1.0), 39.9°(0.09), 40.3°(0.31), 41.0°(0.54), 51.5°(0.09), 54.2°(0.26), 54.9°(0.1), 66.6°(0.1), 67.3°(0.08), 67.8°(0.14), 69.5°(0.14), 73.8°(0.09).
Generate atomic structure description with lattice lengths, angles, coor... | JVASP-14505 | 4.47 5.66 5.66
77 66 66
Tb 0.527 0.723 0.223
Tb 0.473 0.277 0.777
Zn 0.834 0.706 0.626
Zn 0.166 0.294 0.374
Zn 0.834 0.126 0.206
Zn 0.166 0.874 0.794 |
Below is a description of a material. | The chemical formula is: Dy3PbC.
The XRD pattern shows main peaks at: 31.7°(1.0), 36.7°(0.54), 52.9°(0.39), 63.0°(0.45), 66.1°(0.12), 78.1°(0.06), 86.7°(0.18), 89.6°(0.19).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-17513 | 4.89 4.89 4.89
90 90 90
Dy 0.500 0.000 0.500
Dy 0.000 0.500 0.500
Dy 0.500 0.500 0.000
Pb 0.000 0.000 0.000
C 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: SrAl2Te4.
The XRD pattern shows main peaks at: 16.9°(0.1), 21.3°(0.07), 26.4°(0.14), 27.4°(1.0), 30.4°(0.16), 34.2°(0.47), 46.3°(0.09), 47.0°(0.35), 54.1°(0.15), 61.7°(0.14), 67.5°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-31173 | 6.75 6.79 6.79
75 60 60
Sr 0.750 1.000 0.000
Al 0.250 0.500 0.500
Al 0.750 0.500 0.500
Te 0.174 0.500 0.152
Te 0.326 0.848 0.500
Te 0.674 0.152 0.500
Te 0.826 0.500 0.848 |
Below is a description of a material. | The chemical formula is: ZrBeBi.
The XRD pattern shows main peaks at: 16.5°(0.34), 27.6°(0.97), 33.4°(0.25), 36.5°(1.0), 37.5°(0.48), 41.3°(0.15), 50.3°(0.07), 51.1°(0.37), 54.1°(0.17), 57.0°(0.06), 61.8°(0.19), 65.1°(0.28), 67.1°(0.45), 77.6°(0.08), 80.1°(0.06), 86.6°(0.05), 89.6°(0.07).
Generate atomic structure desc... | JVASP-66896 | 5.88 5.88 5.88
146 146 48
Zr 0.640 0.640 -0.000
Be 0.014 0.014 -0.000
Bi 0.345 0.345 -0.000 |
Below is a description of a material. | The chemical formula is: BaWO4.
The XRD pattern shows main peaks at: 26.3°(1.0), 27.9°(0.18), 31.6°(0.26), 42.7°(0.29), 45.3°(0.12), 48.4°(0.2), 53.1°(0.3), 54.0°(0.14), 67.3°(0.09), 68.4°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-176105 | 5.67 5.67 7.54
112 112 89
Ba 0.625 0.375 0.250
Ba 0.375 0.625 0.750
W 0.125 0.875 0.250
W 0.875 0.125 0.750
O 0.722 0.330 0.908
O 0.186 0.077 0.908
O 0.278 0.670 0.092
O 0.814 0.923 0.092
O 0.330 0.186 0.408
O 0.077 0.722 0.408
O 0.670 0.814 0.592
O 0.923 0.278 0.592 |
Below is a description of a material. | The chemical formula is: PaMn2Zn.
The XRD pattern shows main peaks at: 24.6°(0.36), 28.5°(0.27), 40.7°(1.0), 48.2°(0.19), 50.5°(0.08), 59.0°(0.17), 64.9°(0.08), 66.8°(0.11), 74.1°(0.32), 79.5°(0.07), 88.2°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-156810 | 4.43 4.43 4.43
60 60 60
Pa 0.250 0.250 0.250
Mn 0.000 0.000 0.000
Mn 0.500 0.500 0.500
Zn 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: BaNdFe2O5.
The XRD pattern shows main peaks at: 22.5°(0.18), 23.6°(0.06), 32.1°(0.46), 32.8°(1.0), 40.2°(0.23), 46.0°(0.32), 48.2°(0.11), 57.7°(0.38), 59.1°(0.19), 67.1°(0.09), 68.8°(0.13), 86.8°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom typ... | JVASP-172201 | 3.95 7.55 7.89
90 90 90
Ba 0.000 -0.000 0.003
Ba -0.000 0.000 0.503
Nd -0.000 0.500 0.003
Nd 0.000 0.500 0.503
Fe 0.500 0.266 0.253
Fe 0.500 0.266 0.753
Fe 0.500 0.734 0.253
Fe 0.500 0.734 0.753
O -0.000 0.702 0.753
O 0.500 0.298 0.003
O -0.000 0.702 0.253
O 0.000 0.298 0.753
O 0.500 -0.000 0.253
O 0.000 0.298 0.253
O ... |
Below is a description of a material. | The chemical formula is: Sc3CoC4.
The XRD pattern shows main peaks at: 14.8°(0.18), 21.8°(0.09), 29.8°(0.06), 30.4°(0.08), 34.5°(0.11), 36.6°(1.0), 41.6°(0.21), 43.1°(0.15), 45.4°(0.41), 46.3°(0.07), 52.0°(0.09), 53.5°(0.14), 55.1°(0.13), 63.3°(0.1), 70.0°(0.08), 72.2°(0.13), 72.7°(0.16).
Generate atomic structure desc... | JVASP-8077 | 3.42 4.34 6.60
109 105 89
Sc 0.000 0.500 0.000
Sc 0.188 0.188 0.375
Sc 0.812 0.812 0.625
Co 0.500 0.000 -0.000
C 0.376 0.210 0.752
C 0.624 0.790 0.248
C 0.624 0.458 0.248
C 0.376 0.542 0.752 |
Below is a description of a material. | The chemical formula is: Er5BiPd2.
The XRD pattern shows main peaks at: 31.3°(0.29), 32.7°(1.0), 35.4°(0.29), 36.6°(0.62), 52.8°(0.11), 54.7°(0.2), 57.4°(0.16), 68.4°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-171544 | 7.76 7.76 8.67
116 116 90
Er -0.000 -0.000 0.000
Er 0.500 0.500 0.000
Er 0.293 0.793 0.280
Er 0.707 0.207 0.720
Er 0.987 0.487 0.280
Er 0.487 0.293 0.280
Er 0.207 0.013 0.720
Er 0.013 0.513 0.720
Er 0.513 0.707 0.720
Er 0.793 0.987 0.280
Bi 0.250 0.250 0.500
Bi 0.750 0.750 0.500
Pd 0.639 0.139 0.000
Pd 0.361 0.861 -0.0... |
Below is a description of a material. | The chemical formula is: LuCuGe.
The XRD pattern shows main peaks at: 24.0°(0.23), 34.9°(1.0), 42.1°(0.57), 45.4°(0.1), 51.4°(0.06), 55.9°(0.25), 57.5°(0.06), 68.6°(0.16), 72.4°(0.24), 77.0°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-109718 | 4.29 4.29 7.11
90 90 120
Lu 0.000 0.000 0.229
Lu 0.000 0.000 0.771
Cu 0.333 0.667 0.013
Cu 0.667 0.333 0.987
Ge 0.667 0.333 0.547
Ge 0.333 0.667 0.453 |
Below is a description of a material. | The chemical formula is: WSeS.
The XRD pattern shows main peaks at: 2.7°(1.0), 5.3°(0.23), 8.0°(0.05), 13.3°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-28897 | 3.26 3.26 33.31
89 90 120
W 0.333 0.667 0.086
W 0.334 0.667 0.472
W 0.667 0.333 0.279
W 0.666 0.333 0.666
Se 0.333 0.666 0.330
Se 0.332 0.665 0.717
Se 0.334 0.667 0.228
Se 0.334 0.667 0.614
S 0.667 0.334 0.039
S 0.667 0.335 0.426
S 0.666 0.332 0.132
S 0.667 0.333 0.519 |
Below is a description of a material. | The chemical formula is: Ni6Ge2P.
The XRD pattern shows main peaks at: 27.6°(0.07), 40.5°(1.0), 44.0°(0.45), 45.0°(0.4), 51.4°(0.35), 53.6°(0.25), 57.0°(0.19), 75.4°(0.15), 80.3°(0.18), 84.8°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-166389 | 3.23 6.15 6.15
59 90 90
Ni 0.000 0.253 0.747
Ni -0.000 0.747 0.000
Ni -0.000 -0.000 0.253
Ni 0.500 0.615 0.385
Ni 0.500 0.385 0.000
Ni 0.500 1.000 0.615
Ge 0.000 0.333 0.333
Ge -0.000 0.667 0.667
P 0.500 1.000 0.000 |
Below is a description of a material. | The chemical formula is: NpCdAu2.
The XRD pattern shows main peaks at: 21.9°(0.05), 36.1°(1.0), 52.0°(0.18), 64.9°(0.36), 76.6°(0.12), 87.7°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-38817 | 4.98 4.98 4.98
60 60 60
Np 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: TaNb2Mo.
The XRD pattern shows main peaks at: 23.5°(0.06), 38.9°(1.0), 56.2°(0.17), 70.5°(0.35), 83.6°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-186945 | 4.63 4.63 4.63
60 60 60
Mo 0.000 -0.000 0.000
Nb 0.250 0.250 0.250
Nb 0.750 0.750 0.750
Ta 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: LiV4O5F7.
The XRD pattern shows main peaks at: 23.9°(1.0), 24.4°(1.0), 25.1°(0.99), 33.7°(0.23), 34.3°(0.18), 35.1°(0.11), 40.5°(0.14), 41.1°(0.13), 41.4°(0.11), 42.1°(0.17), 48.9°(0.21), 50.0°(0.18), 51.6°(0.15), 54.4°(0.27), 55.2°(0.17), 56.3°(0.21), 57.1°(0.13), 63.3°(0.11), 63.9°(0.09), 65.... | JVASP-120601 | 5.01 5.29 7.31
93 90 92
Li 0.514 0.075 0.194
V 0.986 0.970 0.496
V 0.496 0.520 0.017
V 0.465 0.487 0.497
V 0.007 0.007 0.988
O 0.203 0.294 0.546
O 0.409 0.506 0.254
O 0.293 0.210 0.962
O 0.811 0.696 0.456
O 0.704 0.812 0.051
F 0.193 0.697 0.930
F 0.868 0.021 0.744
F 0.800 0.307 0.069
F 0.688 0.182 0.425
F 0.611 0.497 0... |
Below is a description of a material. | The chemical formula is: K2BaSnTe4.
The XRD pattern shows main peaks at: 14.9°(0.23), 25.9°(0.65), 30.0°(1.0), 42.9°(0.07), 45.7°(0.31).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-109174 | 7.29 7.29 7.29
109 109 109
K 0.500 0.000 0.500
K 0.000 0.500 0.500
Ba 0.500 0.500 0.000
Sn 0.000 0.000 0.000
Te 0.389 0.389 0.390
Te -0.001 -0.001 0.610
Te 0.611 0.001 0.000
Te 0.001 0.611 0.000 |
Below is a description of a material. | The chemical formula is: NbBiO4.
The XRD pattern shows main peaks at: 15.4°(0.36), 21.9°(0.29), 23.4°(1.0), 25.2°(0.84), 28.4°(0.42), 31.1°(0.48), 31.6°(0.31), 32.3°(0.52), 32.9°(0.59), 37.6°(0.24), 40.6°(0.14), 41.0°(0.16), 45.1°(0.27), 48.6°(0.17), 50.0°(0.46), 52.4°(0.21), 53.2°(0.21), 55.8°(0.18), 58.7°(0.16), 60.9... | JVASP-40901 | 4.02 4.10 6.14
96 109 90
Nb -0.001 0.931 -0.002
Bi 0.719 0.316 0.437
O -0.008 0.479 0.984
O 0.176 0.092 0.351
O 0.832 0.931 0.664
O 0.533 0.001 0.066 |
Below is a description of a material. | The chemical formula is: SrMg5.
The XRD pattern shows main peaks at: 5.5°(0.79), 11.1°(0.21), 16.6°(0.12), 22.2°(0.08), 27.9°(0.09), 30.1°(0.3), 30.7°(0.14), 32.2°(0.19), 34.6°(1.0), 41.5°(0.09), 53.5°(0.19), 65.3°(0.15), 89.3°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and a... | JVASP-94370 | 3.43 3.43 16.00
90 90 120
Sr 0.667 0.333 0.000
Mg 0.000 0.000 0.812
Mg 0.667 0.333 0.656
Mg 0.000 0.000 0.500
Mg 0.667 0.333 0.344
Mg 0.000 0.000 0.188 |
Below is a description of a material. | The chemical formula is: PRuPt.
The XRD pattern shows main peaks at: 27.4°(0.19), 31.8°(0.9), 45.6°(1.0), 56.6°(0.21), 66.4°(0.15), 75.5°(0.28), 84.3°(0.34).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-194012 | 3.98 3.98 3.98
60 60 60
Ru 0.500 0.500 0.500
Pt 0.000 0.000 0.000
P 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: V12P7.
The XRD pattern shows main peaks at: 38.5°(0.17), 40.2°(0.21), 40.6°(1.0), 43.7°(0.26), 48.0°(0.14), 49.4°(0.13), 51.8°(0.21), 56.9°(0.15), 71.9°(0.06), 80.5°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-52603 | 9.35 9.35 3.24
90 90 120
V 0.198 0.203 0.500
V 0.748 0.735 0.000
V 0.870 0.497 0.000
V 0.503 0.373 0.000
V 0.627 0.130 0.000
V 0.797 0.996 0.500
V 0.987 0.252 0.000
V 0.265 0.013 0.000
V 0.490 0.623 0.500
V 0.004 0.802 0.500
V 0.133 0.510 0.500
V 0.377 0.867 0.500
P 0.830 0.292 0.500
P 0.285 0.442 0.000
P 0.157 0.715 0... |
Below is a description of a material. | The chemical formula is: OsClO.
The XRD pattern shows main peaks at: 15.8°(1.0), 26.0°(0.47), 30.5°(0.32), 31.0°(0.42), 31.9°(0.26), 35.0°(0.27), 40.9°(0.27), 41.6°(0.24), 44.1°(0.24), 45.0°(0.2), 48.6°(0.07), 52.7°(0.25), 53.4°(0.08), 56.0°(0.17), 58.8°(0.09), 63.1°(0.09), 63.6°(0.07), 65.4°(0.22), 72.4°(0.1), 79.8°(0... | JVASP-138643 | 5.62 3.43 2.89
90 90 90
Os -0.011 -0.100 0.000
Cl 0.385 -0.099 0.000
O -0.142 -0.600 0.000 |
Below is a description of a material. | The chemical formula is: ScGeOs.
The XRD pattern shows main peaks at: 14.6°(0.33), 25.5°(0.57), 36.4°(0.8), 39.4°(1.0), 44.9°(0.29), 47.6°(0.63), 52.7°(0.17), 59.4°(0.06), 61.2°(0.12), 67.7°(0.26), 71.6°(0.13), 73.4°(0.32), 84.9°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-90175 | 3.48 6.99 6.99
119 90 90
Sc 0.500 0.598 0.000
Sc 0.500 0.402 0.402
Sc 0.500 1.000 0.598
Ge 0.000 0.333 0.667
Ge 0.000 0.667 0.333
Ge 0.500 1.000 0.000
Os 0.000 0.256 -0.000
Os 0.000 0.744 0.744
Os 0.000 1.000 0.256 |
Below is a description of a material. | The chemical formula is: CuN.
The XRD pattern shows main peaks at: 14.9°(0.61), 30.1°(0.14), 35.6°(0.64), 36.2°(0.31), 40.9°(1.0), 41.6°(0.23), 42.0°(0.2), 44.9°(0.6), 45.8°(0.26), 52.7°(0.14), 56.1°(0.18), 63.2°(0.2), 64.5°(0.13), 65.3°(0.12), 76.7°(0.1), 78.6°(0.08), 79.0°(0.09), 80.5°(0.07), 83.4°(0.08), 84.1°(0.1).... | JVASP-90849 | 2.86 5.89 6.09
78 89 60
Cu 0.392 0.623 0.661
Cu 0.637 0.377 0.339
Cu 0.392 0.123 0.661
Cu 0.637 0.877 0.339
N 0.988 0.026 0.900
N 0.040 0.974 0.100
N 0.988 0.526 0.900
N 0.040 0.474 0.100 |
Below is a description of a material. | The chemical formula is: Hf2N2O.
The XRD pattern shows main peaks at: 21.1°(0.12), 29.9°(0.77), 30.8°(0.42), 32.6°(0.56), 33.6°(1.0), 36.0°(0.22), 37.6°(0.74), 42.1°(0.28), 44.9°(0.4), 48.2°(0.16), 48.7°(0.19), 52.4°(0.09), 53.7°(0.25), 57.1°(0.25), 59.8°(0.19), 62.7°(0.13), 64.4°(0.25), 68.3°(0.16), 70.4°(0.3), 80.3°(... | JVASP-50317 | 3.09 8.42 8.47
90 90 90
Hf 0.250 0.179 0.005
Hf 0.250 0.501 0.182
Hf 0.750 0.001 0.318
Hf 0.750 0.679 0.495
Hf 0.250 0.321 0.505
Hf 0.250 0.999 0.682
Hf 0.750 0.499 0.818
Hf 0.750 0.821 0.995
N 0.250 0.633 0.952
N 0.750 0.056 0.876
N 0.250 0.556 0.624
N 0.750 0.133 0.548
N 0.250 0.944 0.124
N 0.750 0.444 0.376
N 0.750 ... |
Below is a description of a material. | The chemical formula is: DyMgMnS4.
The XRD pattern shows main peaks at: 14.4°(1.0), 17.0°(0.16), 23.4°(0.12), 26.7°(0.32), 27.8°(0.32), 28.2°(0.32), 32.1°(0.38), 33.9°(0.31), 34.3°(0.3), 36.3°(0.15), 37.1°(0.11), 42.4°(0.11), 44.1°(0.1), 44.5°(0.08), 47.0°(0.15), 47.7°(0.44), 49.0°(0.27), 59.5°(0.1), 60.1°(0.11).
Gener... | JVASP-111852 | 7.74 7.44 7.64
60 57 60
Dy 0.500 0.500 0.500
Dy -0.000 0.500 0.500
Mg 0.872 0.878 0.878
Mg 0.128 0.122 0.122
Mn 0.500 0.500 0.000
Mn 0.500 -0.000 0.500
S 0.716 0.746 0.768
S 0.259 0.234 0.726
S 0.281 0.726 0.234
S 0.731 0.232 0.254
S 0.719 0.274 0.766
S 0.269 0.768 0.746
S 0.284 0.254 0.232
S 0.741 0.766 0.274 |
Below is a description of a material. | The chemical formula is: InAg3.
The XRD pattern shows main peaks at: 36.9°(1.0), 42.9°(0.48), 62.3°(0.28), 74.6°(0.34), 78.6°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-18585 | 4.22 4.22 4.22
90 90 90
In 0.000 0.000 0.000
Ag 0.000 0.500 0.500
Ag 0.500 0.500 0.000
Ag 0.500 0.000 0.500 |
Below is a description of a material. | The chemical formula is: YMnO3.
The XRD pattern shows main peaks at: 25.9°(0.23), 31.6°(0.21), 33.2°(1.0), 33.9°(0.3), 39.5°(0.06), 41.7°(0.06), 42.8°(0.09), 47.1°(0.22), 48.1°(0.18), 48.7°(0.14), 53.0°(0.16), 57.3°(0.07), 58.7°(0.09), 60.3°(0.34), 64.1°(0.08), 69.6°(0.1).
Generate atomic structure description with lat... | JVASP-133591 | 5.28 5.66 7.57
90 90 90
Y 0.519 0.574 0.250
Y 0.981 0.074 0.250
Y 0.481 0.426 0.750
Y 0.019 0.926 0.750
Mn 0.000 0.500 0.000
Mn 0.500 0.000 0.500
Mn 0.000 0.500 0.500
Mn 0.500 0.000 0.000
O 0.304 0.691 0.555
O 0.196 0.191 0.945
O 0.304 0.691 0.945
O 0.196 0.191 0.555
O 0.696 0.309 0.445
O 0.109 0.464 0.250
O 0.891 0.53... |
Below is a description of a material. | The chemical formula is: LiMg6C.
The XRD pattern shows main peaks at: 12.5°(0.42), 13.9°(0.24), 25.2°(0.49), 27.9°(0.25), 32.5°(1.0), 35.2°(0.45), 36.2°(0.1), 36.7°(0.36), 37.8°(0.33), 38.2°(0.19), 39.0°(0.71), 40.9°(0.11), 44.2°(0.29), 47.6°(0.15), 48.8°(0.32), 52.4°(0.15), 60.6°(0.15), 66.1°(0.16), 66.8°(0.15), 68.4°... | JVASP-93162 | 7.67 8.48 3.06
90 90 123
Li 0.387 0.444 0.250
Mg 0.652 0.272 0.250
Mg 0.652 0.880 0.250
Mg 0.206 0.026 0.750
Mg 0.206 0.680 0.750
Mg 0.981 0.241 0.750
Mg 0.827 0.664 0.750
C 0.089 0.795 0.250 |
Below is a description of a material. | The chemical formula is: YMn2.
The XRD pattern shows main peaks at: 24.8°(0.31), 28.7°(0.29), 41.1°(1.0), 48.6°(0.13), 50.9°(0.07), 59.5°(0.16), 65.4°(0.05), 67.4°(0.09), 74.8°(0.33), 89.1°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-78488 | 4.40 4.40 4.40
60 60 60
Y 0.000 0.000 0.000
Mn 0.500 0.500 0.500
Mn 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: Na5InS4.
The XRD pattern shows main peaks at: 11.3°(0.2), 13.1°(0.21), 15.2°(0.79), 16.5°(0.41), 17.2°(0.32), 20.2°(0.61), 22.8°(0.23), 23.2°(0.45), 24.1°(0.14), 26.6°(0.49), 28.2°(0.23), 32.6°(0.11), 34.9°(0.48), 35.5°(1.0), 40.2°(1.0), 41.0°(0.48), 47.0°(0.15), 54.9°(0.24), 58.6°(0.13), 70.5°... | JVASP-58992 | 6.75 8.80 7.81
90 90 90
Na 0.343 0.481 0.335
Na 0.000 0.000 0.000
Na 0.669 0.250 0.162
Na 0.331 0.750 0.838
Na 0.977 0.250 0.523
Na 0.000 0.500 0.000
Na 0.343 0.019 0.335
Na 0.657 0.519 0.665
Na 0.657 0.981 0.665
Na 0.023 0.750 0.477
In 0.639 0.750 0.175
In 0.361 0.250 0.825
S 0.763 0.750 0.876
S 0.769 0.982 0.328
S 0.... |
Below is a description of a material. | The chemical formula is: FeCo.
The XRD pattern shows main peaks at: 42.6°(0.25), 46.5°(0.24), 48.8°(1.0), 64.8°(0.13), 77.9°(0.14), 87.9°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-128989 | 2.45 2.45 3.91
90 90 120
Fe 0.667 0.333 0.750
Co 0.333 0.667 0.250 |
Below is a description of a material. | The chemical formula is: Cr2As.
The XRD pattern shows main peaks at: 27.8°(0.19), 29.8°(0.14), 37.7°(0.84), 41.2°(1.0), 43.0°(0.31), 49.2°(0.48), 50.4°(0.49), 51.3°(0.29), 69.2°(0.14), 73.8°(0.28), 78.9°(0.1), 79.9°(0.3).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-150176 | 6.42 6.42 3.56
90 90 119
Cr 0.252 0.000 0.000
Cr 0.000 0.252 0.000
Cr 0.748 0.748 0.000
Cr 0.603 0.000 0.500
Cr 0.000 0.603 0.500
Cr 0.397 0.397 0.500
As 0.333 0.667 0.000
As 0.667 0.333 0.000
As 1.000 1.000 0.500 |
Below is a description of a material. | The chemical formula is: UCl3.
The XRD pattern shows main peaks at: 13.8°(1.0), 24.0°(0.64), 25.1°(0.92), 27.8°(0.2), 35.0°(0.85), 37.0°(0.14), 42.2°(0.33), 42.9°(0.77), 49.4°(0.19), 56.0°(0.14), 61.5°(0.22), 67.3°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-150045 | 7.41 7.42 4.25
90 90 119
U 0.333 0.667 0.250
U 0.667 0.333 0.750
Cl 0.384 0.299 0.250
Cl 0.701 0.085 0.250
Cl 0.915 0.616 0.250
Cl 0.616 0.701 0.750
Cl 0.299 0.915 0.750
Cl 0.085 0.384 0.750 |
Below is a description of a material. | The chemical formula is: FeCuNi.
The XRD pattern shows main peaks at: 43.6°(0.36), 44.1°(1.0), 51.3°(0.61), 75.0°(0.17), 75.8°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-108781 | 2.51 2.51 6.23
90 90 120
Fe 0.000 0.000 0.340
Cu 0.333 0.667 0.998
Ni 0.667 0.333 0.662 |
Below is a description of a material. | The chemical formula is: Y2BePt.
The XRD pattern shows main peaks at: 18.3°(0.67), 31.5°(0.36), 36.7°(1.0), 37.0°(0.45), 41.6°(0.17), 49.4°(0.21), 52.3°(0.09), 53.4°(0.17), 55.8°(0.07), 65.8°(0.18), 66.5°(0.34), 68.9°(0.08), 75.7°(0.06), 78.0°(0.11), 78.9°(0.05), 88.5°(0.08).
Generate atomic structure description with ... | JVASP-180351 | 4.85 4.85 3.50
90 90 90
Y 0.500 -0.000 0.000
Y 0.000 0.500 0.000
Be 0.000 -0.000 0.500
Pt 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: TbRb2AgCl6.
The XRD pattern shows main peaks at: 16.7°(0.26), 23.7°(1.0), 33.7°(0.61), 41.6°(0.44), 48.5°(0.4), 60.3°(0.13), 71.0°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-110703 | 7.51 7.51 7.51
60 60 60
Tb 0.000 0.000 0.000
Rb 0.750 0.750 0.750
Rb 0.250 0.250 0.250
Ag 0.500 0.500 0.500
Cl 0.753 0.247 0.247
Cl 0.247 0.247 0.753
Cl 0.247 0.753 0.753
Cl 0.247 0.753 0.247
Cl 0.753 0.247 0.753
Cl 0.753 0.753 0.247 |
Below is a description of a material. | The chemical formula is: Sr2MgSn.
The XRD pattern shows main peaks at: 16.7°(0.09), 19.6°(0.14), 25.1°(0.07), 30.3°(1.0), 33.8°(0.17), 35.8°(0.31), 50.1°(0.22), 51.6°(0.11), 58.3°(0.15), 61.0°(0.28), 63.1°(0.12), 81.5°(0.12), 82.2°(0.06), 83.9°(0.06), 85.7°(0.05), 86.9°(0.05).
Generate atomic structure description with... | JVASP-186829 | 6.38 6.38 6.38
133 133 67
Sr 0.000 -0.000 -0.000
Sr 0.250 0.750 0.500
Mg 0.500 0.500 -0.000
Sn 0.750 0.250 0.500 |
Below is a description of a material. | The chemical formula is: BS.
The XRD pattern shows main peaks at: 13.3°(0.16), 26.9°(0.81), 30.3°(0.28), 36.3°(1.0), 45.8°(0.37), 53.7°(0.08), 55.3°(0.07), 57.6°(0.3), 61.2°(0.12), 70.6°(0.08), 73.3°(0.19), 81.8°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-133831 | 3.03 2.67 7.32
68 101 90
B 0.852 0.081 0.950
B 0.940 0.401 0.129
S 0.266 0.259 0.774
S 0.526 0.223 0.305 |
Below is a description of a material. | The chemical formula is: PuMo.
The XRD pattern shows main peaks at: 27.0°(0.21), 38.6°(1.0), 47.7°(0.07), 55.7°(0.18), 63.0°(0.09), 69.8°(0.37), 82.7°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-127832 | 3.30 3.30 3.30
90 90 90
Pu 0.000 0.000 0.000
Mo 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: LiDy2In.
The XRD pattern shows main peaks at: 20.8°(0.15), 24.1°(0.23), 34.3°(1.0), 42.3°(0.08), 49.3°(0.17), 61.4°(0.37), 72.2°(0.11), 82.4°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-110816 | 5.23 5.23 5.23
60 60 60
Li 0.000 0.000 0.000
Dy 0.750 0.750 0.750
Dy 0.250 0.250 0.250
In 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: BaNbBi2.
The XRD pattern shows main peaks at: 7.7°(0.05), 15.4°(0.06), 23.3°(0.11), 28.1°(0.12), 31.2°(1.0), 38.5°(0.28), 41.7°(0.1), 45.4°(0.08), 48.3°(0.1), 50.3°(0.14), 55.5°(0.09), 65.1°(0.28), 76.6°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and ... | JVASP-65428 | 3.31 3.31 11.47
90 90 90
Ba 0.500 0.500 0.734
Nb 0.000 0.000 0.481
Bi 0.000 0.000 0.987
Bi 0.500 0.500 0.298 |
Below is a description of a material. | The chemical formula is: Ga2Te3.
The XRD pattern shows main peaks at: 25.4°(0.08), 29.6°(1.0), 33.8°(0.13), 41.4°(0.27), 43.3°(0.36), 50.2°(0.05), 53.3°(0.19), 60.1°(0.08), 61.5°(0.09), 68.4°(0.05), 71.0°(0.16), 78.1°(0.09), 79.4°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates an... | JVASP-92698 | 4.18 4.18 9.41
77 77 59
Ga 0.194 0.194 0.417
Ga 0.806 0.806 0.583
Te 0.000 0.000 0.000
Te 0.413 0.413 0.762
Te 0.587 0.587 0.238 |
Below is a description of a material. | The chemical formula is: LiMg2P.
The XRD pattern shows main peaks at: 16.2°(0.21), 25.2°(0.21), 30.1°(0.18), 32.8°(0.07), 35.9°(0.79), 39.7°(0.07), 41.8°(1.0), 49.4°(0.08), 51.7°(0.26), 68.6°(0.46), 76.2°(0.09), 80.0°(0.1), 87.2°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-139343 | 3.53 3.53 5.47
90 90 90
Li 0.000 0.000 0.517
Mg 0.000 0.000 0.963
Mg 0.500 0.500 0.267
P 0.500 0.500 0.752 |
Below is a description of a material. | The chemical formula is: Bi3Rh.
The XRD pattern shows main peaks at: 12.5°(0.17), 27.6°(0.42), 28.7°(0.79), 29.7°(0.16), 30.7°(0.41), 31.1°(1.0), 32.7°(0.58), 33.8°(0.74), 37.4°(0.35), 40.5°(0.19), 41.7°(0.48), 42.8°(0.52), 43.7°(0.13), 52.6°(0.18), 54.7°(0.57), 57.9°(0.39), 59.4°(0.14), 66.1°(0.2), 81.2°(0.22), 88.6°(... | JVASP-29717 | 4.33 8.96 11.50
90 90 90
Bi 0.250 0.401 0.590
Bi 0.250 0.804 0.615
Bi 0.750 0.097 0.679
Bi 0.750 0.597 0.821
Bi 0.750 0.099 0.090
Bi 0.250 0.403 0.179
Bi 0.250 0.304 0.885
Bi 0.250 0.901 0.910
Bi 0.250 0.903 0.321
Bi 0.750 0.696 0.115
Bi 0.750 0.599 0.410
Bi 0.750 0.196 0.385
Rh 0.250 0.602 0.980
Rh 0.250 0.102 0.520
R... |
Below is a description of a material. | The chemical formula is: CuBrO.
The XRD pattern shows main peaks at: 28.4°(1.0), 32.0°(0.89), 35.1°(0.06), 43.3°(0.81), 45.9°(0.49), 54.9°(0.57), 58.7°(0.12), 67.0°(0.15), 68.5°(0.19), 74.3°(0.22), 76.2°(0.15), 77.6°(0.2), 83.2°(0.24).
Generate atomic structure description with lattice lengths, angles, coordinates and ... | JVASP-179228 | 2.79 2.79 6.29
90 90 90
Cu 0.500 0.500 -0.000
Br 0.500 0.500 0.500
O 0.000 0.000 -0.000 |
Below is a description of a material. | The chemical formula is: Bi.
The XRD pattern shows main peaks at: 27.2°(1.0), 38.9°(0.74), 48.1°(0.29), 56.1°(0.14), 63.5°(0.37), 70.4°(0.28).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-25217 | 4.63 4.63 4.63
60 60 60
Bi 0.250 0.250 0.250
Bi 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: MnPS3.
The XRD pattern shows main peaks at: 13.7°(0.73), 27.6°(0.1), 28.6°(0.06), 29.8°(0.44), 32.5°(0.07), 34.9°(1.0), 36.7°(0.06), 37.7°(0.07), 41.0°(0.05), 48.1°(0.21), 52.3°(0.37), 57.0°(0.06), 64.4°(0.14), 86.5°(0.05).
Generate atomic structure description with lattice lengths, angles, coo... | JVASP-4603 | 6.06 6.06 6.77
98 98 119
Mn 0.333 0.667 0.000
Mn 0.667 0.333 -0.000
P 0.057 0.057 0.172
P 0.943 0.943 0.828
S 0.410 0.083 0.251
S 0.917 0.590 0.749
S 0.245 0.245 0.751
S 0.755 0.755 0.249
S 0.590 0.917 0.749
S 0.083 0.410 0.251 |
Below is a description of a material. | The chemical formula is: CaCrF6.
The XRD pattern shows main peaks at: 20.8°(0.1), 23.4°(1.0), 31.9°(0.3), 39.6°(0.33), 42.3°(0.1), 47.9°(0.11), 52.0°(0.35), 55.9°(0.1), 60.5°(0.1), 62.3°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-100463 | 5.66 5.66 5.66
54 54 54
Ca 0.500 0.500 0.500
Cr 0.000 0.000 0.000
F 0.927 0.215 0.634
F 0.215 0.634 0.927
F 0.366 0.073 0.785
F 0.785 0.366 0.073
F 0.073 0.785 0.366
F 0.634 0.927 0.215 |
Below is a description of a material. | The chemical formula is: KLa2Ag3Te8.
The XRD pattern shows main peaks at: 4.1°(0.13), 8.3°(0.2), 12.4°(0.28), 28.6°(0.1), 29.5°(0.47), 31.0°(0.4), 33.0°(1.0), 35.4°(0.05), 40.5°(0.62), 58.5°(0.21), 66.9°(0.09), 68.9°(0.21), 87.5°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-170165 | 4.46 4.46 21.38
90 89 90
K 0.501 0.500 0.737
La 0.500 0.500 0.198
La 0.000 0.000 -0.002
Ag 0.501 -0.000 0.584
Ag 0.001 0.500 0.584
Ag 0.001 -0.000 0.496
Te 0.001 -0.000 0.670
Te 0.000 0.500 0.320
Te 0.000 0.500 0.876
Te 0.500 -0.000 0.320
Te 0.500 0.500 0.040
Te 0.000 0.000 0.154
Te 0.500 0.000 0.876
Te 0.501 0.500 0.4... |
Below is a description of a material. | The chemical formula is: Na2PdF4.
The XRD pattern shows main peaks at: 17.8°(0.48), 18.1°(0.58), 26.0°(0.25), 30.6°(0.23), 31.3°(1.0), 31.8°(0.1), 32.5°(0.09), 36.7°(0.12), 39.7°(0.13), 41.5°(0.08), 42.5°(0.09), 43.3°(0.1), 46.4°(0.26), 48.4°(0.09), 49.4°(0.06), 54.7°(0.09), 56.3°(0.27), 57.6°(0.21), 62.0°(0.06), 63.6°... | JVASP-9419 | 3.43 5.63 9.99
90 94 90
Na 0.719 0.044 0.652
Na 0.281 0.544 0.848
Na 0.281 0.956 0.348
Na 0.719 0.456 0.152
Pd 0.000 0.500 0.500
Pd 0.000 0.000 0.000
F 0.784 0.680 0.339
F 0.216 0.180 0.161
F 0.216 0.320 0.661
F 0.784 0.820 0.839
F 0.213 0.806 0.575
F 0.787 0.306 0.925
F 0.213 0.694 0.075
F 0.787 0.194 0.425 |
Below is a description of a material. | The chemical formula is: MgCr2S5.
The XRD pattern shows main peaks at: 14.6°(1.0), 19.2°(0.57), 24.6°(0.6), 25.1°(0.17), 28.0°(0.66), 28.7°(0.25), 29.5°(0.14), 30.2°(0.12), 30.7°(0.14), 34.9°(0.39), 37.9°(0.18), 39.8°(0.24), 40.3°(0.58), 42.9°(0.37), 48.6°(0.36), 49.0°(0.13), 51.4°(0.15), 52.1°(0.1), 55.2°(0.29), 61.2°... | JVASP-11287 | 6.06 3.75 14.22
90 90 90
Mg 0.081 0.500 0.250
Mg 0.919 0.000 0.750
Cr 0.544 0.000 0.100
Cr 0.456 0.500 0.900
Cr 0.456 0.500 0.600
Cr 0.544 0.000 0.400
S 0.623 0.500 0.750
S 0.377 0.000 0.250
S 0.345 0.500 0.060
S 0.655 0.000 0.940
S 0.345 0.500 0.440
S 0.655 0.000 0.560
S 0.876 0.000 0.350
S 0.124 0.500 0.650
S 0.124 0... |
Below is a description of a material. | The chemical formula is: NaCl.
The XRD pattern shows main peaks at: 26.9°(0.44), 37.1°(1.0), 47.4°(0.28), 51.5°(0.07), 61.7°(0.19), 72.6°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-135495 | 5.22 3.83 5.22
111 94 68
Na 0.855 -0.023 0.868
Na 0.355 -0.023 0.368
Cl 0.271 0.311 0.952
Cl 0.771 0.311 0.452 |
Below is a description of a material. | The chemical formula is: AcMg5.
The XRD pattern shows main peaks at: 16.6°(0.68), 17.8°(0.25), 24.5°(1.0), 29.0°(0.42), 33.6°(0.35), 34.3°(0.73), 36.1°(0.15), 40.0°(0.17), 45.0°(0.12), 47.0°(0.23), 48.8°(0.3), 50.2°(0.22), 54.9°(0.19), 58.3°(0.06), 59.0°(0.11), 60.1°(0.11), 63.8°(0.13), 65.9°(0.14), 72.2°(0.12), 85.7°(... | JVASP-41237 | 6.16 6.16 4.97
90 90 120
Ac 0.000 0.000 0.500
Mg 0.500 0.500 0.000
Mg 0.667 0.333 0.500
Mg 0.500 0.000 0.000
Mg 0.333 0.667 0.500
Mg 0.000 0.500 0.000 |
Below is a description of a material. | The chemical formula is: MgTi2S5.
The XRD pattern shows main peaks at: 14.6°(1.0), 18.9°(0.7), 24.0°(0.96), 27.6°(0.8), 28.2°(0.33), 29.5°(0.33), 30.1°(0.55), 33.4°(0.6), 36.8°(0.29), 38.2°(0.44), 39.8°(0.68), 41.1°(0.17), 42.1°(0.65), 47.5°(0.55), 48.6°(0.21), 51.5°(0.27), 54.6°(0.32), 57.1°(0.18), 59.4°(0.19), 70.3°(... | JVASP-11049 | 6.06 3.83 14.93
90 90 90
Mg 0.047 0.500 0.750
Mg 0.953 0.000 0.250
Ti 0.541 0.000 0.899
Ti 0.459 0.500 0.101
Ti 0.459 0.500 0.399
Ti 0.541 0.000 0.601
S 0.619 0.500 0.250
S 0.381 0.000 0.750
S 0.338 0.500 0.938
S 0.662 0.000 0.062
S 0.338 0.500 0.562
S 0.662 0.000 0.438
S 0.889 0.000 0.644
S 0.111 0.500 0.356
S 0.111 0... |
Below is a description of a material. | The chemical formula is: MgGa.
The XRD pattern shows main peaks at: 21.4°(1.0), 27.0°(0.75), 32.9°(0.43), 37.5°(0.91), 39.6°(0.4), 43.6°(0.15), 46.8°(0.16), 50.8°(0.71), 55.3°(0.1), 55.7°(0.14), 67.7°(0.15), 77.4°(0.19), 81.3°(0.17), 89.3°(0.14).
Generate atomic structure description with lattice lengths, angles, coord... | JVASP-79753 | 4.79 4.79 5.44
90 90 120
Mg 0.667 0.333 0.563
Mg 0.333 0.667 0.063
Ga 0.667 0.333 0.062
Ga 0.333 0.667 0.562 |
Below is a description of a material. | The chemical formula is: YErSn2Pd4.
The XRD pattern shows main peaks at: 37.6°(1.0), 54.2°(0.2), 67.9°(0.29), 80.4°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-176364 | 4.78 4.78 8.31
73 90 120
Y 0.500 -0.000 0.500
Er -0.000 -0.000 0.000
Sn 0.250 0.499 0.251
Sn 0.750 0.501 0.749
Pd 0.626 0.252 0.122
Pd 0.123 0.246 0.632
Pd 0.877 0.754 0.368
Pd 0.374 0.748 0.878 |
Below is a description of a material. | The chemical formula is: AlFeCo.
The XRD pattern shows main peaks at: 25.8°(0.23), 34.6°(0.3), 43.6°(0.78), 45.4°(1.0), 58.3°(0.35), 64.8°(0.23), 73.0°(0.07), 82.7°(0.2), 83.9°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-179407 | 3.99 3.99 2.59
90 90 120
Al -0.000 0.000 0.000
Fe 0.667 0.333 0.500
Co 0.333 0.667 0.500 |
Below is a description of a material. | The chemical formula is: Ba3MnNb2O9.
The XRD pattern shows main peaks at: 30.4°(1.0), 37.5°(0.08), 43.5°(0.34), 54.0°(0.35), 63.2°(0.15), 71.8°(0.15), 87.9°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-51533 | 5.88 5.88 7.22
90 90 120
Ba 0.333 0.667 0.334
Ba 0.667 0.333 0.666
Ba 0.000 0.000 0.000
Mn 0.000 0.000 0.500
Nb 0.333 0.667 0.824
Nb 0.667 0.333 0.176
O 0.828 0.656 0.324
O 0.828 0.172 0.324
O 0.344 0.172 0.324
O 0.172 0.828 0.676
O 0.172 0.344 0.676
O 0.656 0.828 0.676
O -0.000 0.500 0.000
O 0.500 -0.000 0.000
O 0.500... |
Below is a description of a material. | The chemical formula is: LuAg4.
The XRD pattern shows main peaks at: 36.9°(1.0), 42.6°(0.31), 43.6°(0.15), 61.8°(0.1), 62.5°(0.2), 74.2°(0.24), 75.6°(0.12), 78.6°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-86184 | 4.16 5.19 5.18
80 66 66
Lu 0.000 0.000 0.000
Ag 0.598 0.600 0.205
Ag 0.802 0.795 0.600
Ag 0.198 0.205 0.400
Ag 0.402 0.400 0.795 |
Below is a description of a material. | The chemical formula is: VSe.
The XRD pattern shows main peaks at: 31.5°(1.0), 41.5°(0.79), 48.5°(0.5), 54.8°(0.19), 59.0°(0.16), 63.5°(0.07), 65.7°(0.18), 76.2°(0.08), 79.8°(0.14), 83.8°(0.19), 85.8°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-79817 | 3.75 3.75 5.86
90 90 120
V 0.000 0.000 0.000
V 0.000 0.000 0.500
Se 0.667 0.333 0.750
Se 0.333 0.667 0.250 |
Below is a description of a material. | The chemical formula is: LiTm2In.
The XRD pattern shows main peaks at: 21.1°(0.15), 24.4°(0.28), 34.8°(1.0), 41.0°(0.08), 42.9°(0.08), 50.0°(0.19), 56.4°(0.12), 62.3°(0.37), 73.4°(0.12), 78.7°(0.05), 83.8°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-79430 | 5.16 5.16 5.16
59 59 59
Li 0.750 0.750 0.750
Tm 0.000 -0.000 0.000
Tm 0.500 0.500 0.500
In 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: NbOsPb.
The XRD pattern shows main peaks at: 24.0°(0.1), 27.8°(0.47), 39.8°(1.0), 47.0°(0.05), 49.2°(0.14), 57.5°(0.18), 65.1°(0.18), 72.2°(0.37), 85.7°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-51150 | 4.53 4.53 4.53
60 60 60
Nb 0.250 0.250 0.250
Os 0.000 0.000 0.000
Pb 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: LiBrO.
The XRD pattern shows main peaks at: 19.5°(0.55), 22.8°(1.0), 24.8°(0.69), 29.6°(0.24), 30.1°(0.34), 33.9°(0.65), 37.7°(0.26), 39.6°(0.19), 41.1°(0.24), 44.3°(0.12), 46.2°(0.23), 50.3°(0.17), 50.9°(0.18), 53.4°(0.15), 56.4°(0.15), 58.7°(0.08), 62.7°(0.15), 66.1°(0.12), 68.3°(0.07), 71.3°... | JVASP-115704 | 6.20 4.59 3.91
90 90 35
Li 0.423 -0.055 0.000
Br -0.096 -0.042 0.000
O -0.055 0.315 0.000 |
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