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: Mg2NiO3.
The XRD pattern shows main peaks at: 15.8°(0.64), 26.1°(0.22), 31.6°(0.52), 34.7°(0.35), 39.0°(0.57), 39.8°(1.0), 47.8°(0.12), 48.6°(0.39), 51.1°(0.41), 61.3°(0.11), 63.5°(0.16), 64.5°(0.36), 66.1°(0.25), 73.1°(0.17), 74.4°(0.09), 75.2°(0.11), 83.9°(0.11), 85.7°(0.12), 88.5°(0.08).
Gen... | JVASP-179629 | 6.08 6.08 6.08
152 145 44
Mg 0.847 0.347 0.500
Mg 0.153 0.653 0.500
Ni 0.500 0.000 0.500
O 0.000 0.000 -0.000
O 0.332 0.832 0.500
O 0.668 0.168 0.500 |
Below is a description of a material. | The chemical formula is: ThB2Ru2.
The XRD pattern shows main peaks at: 18.9°(0.13), 26.4°(0.32), 31.4°(0.99), 32.6°(0.26), 33.8°(1.0), 39.7°(0.29), 42.5°(0.45), 48.1°(0.18), 50.9°(0.25), 52.3°(0.12), 56.5°(0.13), 58.4°(0.1), 59.0°(0.17), 59.6°(0.15), 61.9°(0.1), 68.3°(0.12), 71.1°(0.12), 73.5°(0.08), 76.1°(0.1), 84.9°(... | JVASP-151636 | 6.80 6.03 5.59
71 57 51
Th 0.000 0.000 0.000
Th 0.250 0.250 0.250
B 0.317 0.683 0.317
B 0.683 0.317 0.683
B 0.567 0.933 0.567
B 0.933 0.567 0.933
Ru 0.637 0.637 0.363
Ru 0.363 0.363 0.637
Ru 0.613 0.613 0.887
Ru 0.887 0.887 0.613 |
Below is a description of a material. | The chemical formula is: Li2MgTi3O8.
The XRD pattern shows main peaks at: 18.5°(1.0), 21.2°(0.23), 30.2°(0.21), 35.4°(0.8), 43.1°(0.78), 57.2°(0.22), 62.4°(0.33), 62.9°(0.31), 78.8°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-147332 | 5.91 5.91 5.91
60 60 60
Li 0.626 0.626 0.626
Li 0.244 0.244 0.244
Mg 0.007 0.007 0.007
Ti 0.624 0.130 0.624
Ti 0.130 0.624 0.624
Ti 0.624 0.624 0.130
O 0.868 0.868 0.868
O 0.871 0.413 0.871
O 0.413 0.871 0.871
O 0.871 0.871 0.413
O 0.384 0.384 0.384
O 0.376 0.836 0.376
O 0.836 0.376 0.376
O 0.376 0.376 0.836 |
Below is a description of a material. | The chemical formula is: AsF.
The XRD pattern shows main peaks at: 15.0°(0.32), 30.3°(0.17), 32.5°(0.73), 40.9°(0.66), 42.2°(1.0), 43.8°(0.09), 46.2°(0.09), 51.8°(0.15), 59.3°(0.21), 63.4°(0.15), 68.0°(0.06), 69.2°(0.17), 70.7°(0.17), 75.4°(0.32), 78.3°(0.09), 88.7°(0.11).
Generate atomic structure description with lat... | JVASP-138099 | 3.12 3.12 5.89
90 90 90
As 0.000 0.000 0.166
As 0.500 0.500 0.834
F 0.000 0.000 0.651
F 0.500 0.500 0.349 |
Below is a description of a material. | The chemical formula is: La3TaO7.
The XRD pattern shows main peaks at: 27.6°(0.96), 28.2°(1.0), 32.4°(0.47), 45.7°(0.18), 46.3°(0.6), 47.2°(0.13), 54.6°(0.43), 54.9°(0.14), 55.6°(0.27), 57.0°(0.1), 58.3°(0.12), 67.8°(0.09), 73.5°(0.06), 74.2°(0.12), 75.0°(0.1), 77.1°(0.09), 85.0°(0.11), 87.2°(0.08).
Generate atomic str... | JVASP-140665 | 6.77 6.77 3.97
90 90 110
La 0.000 0.000 0.000
La 0.500 -0.000 0.500
La -0.000 0.500 0.500
Ta 0.500 0.500 0.000
O 0.500 0.500 0.500
O 0.432 0.184 0.000
O 0.816 0.568 0.000
O 0.568 0.816 0.000
O 0.184 0.432 0.000
O 0.130 0.870 0.500
O 0.870 0.130 0.500 |
Below is a description of a material. | The chemical formula is: Ba2NCl.
The XRD pattern shows main peaks at: 11.6°(0.15), 23.3°(0.17), 26.2°(0.68), 29.5°(1.0), 31.8°(0.27), 35.3°(0.15), 37.3°(0.18), 40.4°(0.22), 44.0°(0.38), 50.4°(0.13), 50.8°(0.14), 51.9°(0.11), 53.9°(0.16), 57.6°(0.22), 58.5°(0.13).
Generate atomic structure description with lattice lengt... | JVASP-35747 | 4.12 4.12 7.99
75 75 60
Ba 0.232 0.232 0.304
Ba 0.768 0.768 0.696
N 0.500 0.500 0.500
Cl 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Cu3AsO7.
The XRD pattern shows main peaks at: 18.6°(0.31), 19.3°(1.0), 24.1°(0.76), 25.9°(0.18), 27.1°(0.32), 33.1°(0.13), 33.5°(0.11), 33.9°(0.31), 36.3°(0.8), 37.2°(0.24), 39.1°(0.25), 40.9°(0.11), 42.2°(0.18), 42.6°(0.16), 49.4°(0.13), 53.1°(0.15), 55.8°(0.11), 56.3°(0.11), 62.3°(0.22), 66.8... | JVASP-168205 | 5.39 5.32 5.60
89 120 84
Cu 0.327 0.047 0.622
Cu 0.375 0.554 0.397
Cu 0.372 0.554 0.899
As -0.015 0.047 0.960
O 0.042 0.209 0.243
O 0.038 0.210 0.732
O 0.184 0.738 0.553
O 0.288 0.793 0.107
O 0.512 0.337 0.717
O 0.547 0.377 0.233
O 0.702 0.858 0.827 |
Below is a description of a material. | The chemical formula is: Ag3F.
The XRD pattern shows main peaks at: 22.1°(0.21), 31.5°(0.17), 38.8°(1.0), 45.1°(0.48), 50.8°(0.09), 56.0°(0.06), 65.7°(0.29), 79.0°(0.34), 83.3°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-123327 | 4.02 4.02 4.02
90 90 90
Ag 0.000 0.500 0.500
Ag 0.500 0.000 0.500
Ag 0.500 0.500 0.000
F 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: ZrTi2Ni.
The XRD pattern shows main peaks at: 25.3°(0.08), 29.2°(0.07), 31.9°(0.08), 39.0°(1.0), 41.7°(0.45), 49.4°(0.05), 52.0°(0.07), 60.5°(0.14), 68.7°(0.12), 74.3°(0.27), 83.7°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-186991 | 3.06 3.06 7.04
90 90 90
Ni 0.500 0.500 0.000
Zr 0.500 0.500 0.500
Ti -0.000 -0.000 0.791
Ti 0.000 0.000 0.209 |
Below is a description of a material. | The chemical formula is: LiHf2Os.
The XRD pattern shows main peaks at: 23.6°(0.25), 27.4°(0.11), 39.1°(1.0), 46.2°(0.14), 56.5°(0.16), 62.1°(0.05), 70.8°(0.36), 84.0°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-189418 | 4.61 4.61 4.61
60 60 60
Hf 0.250 0.250 0.250
Hf 0.750 0.750 0.750
Os 0.500 0.500 0.500
Li 0.000 -0.000 0.000 |
Below is a description of a material. | The chemical formula is: ZnCuHPd2.
The XRD pattern shows main peaks at: 24.4°(0.05), 40.2°(1.0), 45.1°(0.36), 50.0°(0.14), 65.8°(0.11), 69.6°(0.19), 80.0°(0.27), 87.2°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-189246 | 4.02 4.02 3.65
90 90 90
H 0.000 0.000 0.000
Zn 0.500 0.500 0.500
Cu 0.000 0.000 0.500
Pd 0.000 0.500 0.000
Pd 0.500 0.000 0.000 |
Below is a description of a material. | The chemical formula is: HoMnIn.
The XRD pattern shows main peaks at: 21.7°(0.2), 33.8°(1.0), 38.1°(0.59), 51.8°(0.29), 52.6°(0.08), 66.1°(0.28), 66.8°(0.23), 68.8°(0.1), 81.4°(0.07), 87.4°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-100655 | 4.73 4.73 3.48
90 90 120
Ho 0.000 0.000 0.000
Mn 0.667 0.333 0.500
In 0.333 0.667 0.500 |
Below is a description of a material. | The chemical formula is: MgN2.
The XRD pattern shows main peaks at: 22.1°(1.0), 25.4°(0.98), 29.5°(0.63), 33.9°(0.62), 37.1°(0.43), 39.2°(0.54), 45.5°(0.48), 47.1°(0.1), 52.1°(0.1), 56.5°(0.12), 57.2°(0.1), 61.0°(0.15), 65.7°(0.16), 67.2°(0.08), 68.9°(0.06), 71.8°(0.14), 79.4°(0.09), 88.6°(0.05).
Generate atomic struct... | JVASP-118914 | 4.02 7.03 3.03
90 90 90
Mg 0.000 0.440 0.000
N 0.139 0.940 0.000
N 0.861 0.940 0.000 |
Below is a description of a material. | The chemical formula is: Pm3Sb.
The XRD pattern shows main peaks at: 9.1°(0.06), 25.3°(0.08), 26.9°(0.55), 27.5°(0.09), 31.4°(1.0), 37.0°(0.09), 37.7°(0.13), 44.6°(0.36), 45.3°(0.22), 53.2°(0.09), 55.5°(0.21), 59.2°(0.13), 65.5°(0.07), 71.6°(0.07), 73.8°(0.17), 82.1°(0.06), 82.7°(0.07).
Generate atomic structure descri... | JVASP-125795 | 4.07 4.07 9.73
90 90 120
Pm 0.667 0.333 0.797
Pm 0.000 0.000 0.500
Pm 0.333 0.667 0.203
Sb 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: CaCdPb.
The XRD pattern shows main peaks at: 18.8°(0.3), 22.7°(0.67), 29.6°(0.39), 32.5°(0.91), 34.9°(0.21), 38.1°(0.34), 39.9°(1.0), 44.8°(0.26), 46.3°(0.13), 52.6°(0.11), 56.3°(0.32), 61.4°(0.12), 62.7°(0.44), 65.3°(0.13), 70.1°(0.17), 75.7°(0.24), 88.2°(0.13).
Generate atomic structure descr... | JVASP-54631 | 7.85 7.85 4.72
90 90 120
Ca 0.424 0.424 0.500
Ca -0.000 0.576 0.500
Ca 0.576 -0.000 0.500
Cd 0.000 0.252 0.000
Cd 0.252 0.000 0.000
Cd 0.748 0.748 0.000
Pb 0.000 0.000 0.500
Pb 0.667 0.333 0.000
Pb 0.333 0.667 0.000 |
Below is a description of a material. | The chemical formula is: P2S7.
The XRD pattern shows main peaks at: 13.8°(0.53), 16.2°(0.28), 16.9°(0.88), 20.0°(0.17), 20.4°(0.33), 23.3°(0.19), 26.5°(0.21), 27.8°(0.16), 28.3°(1.0), 28.8°(0.39), 29.6°(0.6), 30.8°(0.39), 31.7°(0.18), 32.7°(0.44), 33.0°(0.54), 33.9°(0.22), 40.7°(0.16), 45.5°(0.21), 52.1°(0.19), 53.4°(0... | JVASP-32143 | 6.06 6.49 11.06
82 90 85
P 0.055 0.173 0.065
P 0.631 0.799 0.495
P 0.369 0.201 0.505
P 0.945 0.827 0.935
S 0.149 0.769 0.784
S 0.374 0.991 0.789
S 0.241 0.254 0.679
S 0.726 0.564 0.614
S 0.717 0.100 0.531
S 0.283 0.900 0.469
S 0.759 0.746 0.321
S 0.842 0.154 0.911
S 0.626 0.009 0.211
S 0.851 0.231 0.216
S 0.158 0.846 0... |
Below is a description of a material. | The chemical formula is: SmAl8Cu4.
The XRD pattern shows main peaks at: 14.1°(0.29), 19.8°(0.32), 28.4°(0.62), 32.0°(0.19), 35.0°(0.34), 40.2°(0.95), 40.7°(1.0), 45.4°(0.2), 45.8°(0.11), 58.6°(0.36), 59.0°(0.12), 66.8°(0.13), 72.8°(0.07), 73.9°(0.2), 88.3°(0.07).
Generate atomic structure description with lattice lengt... | JVASP-22285 | 5.20 6.78 6.78
81 67 67
Sm 0.000 0.000 0.000
Al 0.348 0.652 0.652
Al 0.000 0.348 0.652
Al -0.000 0.652 0.348
Al 0.652 0.348 0.348
Al 0.720 0.780 0.780
Al 0.500 0.220 0.780
Al 0.500 0.780 0.220
Al 0.280 0.220 0.220
Cu 0.500 0.000 0.500
Cu 0.000 0.500 -0.000
Cu 0.500 0.500 -0.000
Cu -0.000 0.000 0.500 |
Below is a description of a material. | The chemical formula is: BaEr.
The XRD pattern shows main peaks at: 29.1°(1.0), 41.6°(0.19), 51.6°(0.4), 60.3°(0.12), 68.3°(0.16), 83.3°(0.21).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-128873 | 4.34 4.34 4.34
90 90 90
Ba 0.500 0.500 0.500
Er 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: FeHF4.
The XRD pattern shows main peaks at: 19.6°(1.0), 25.1°(0.42), 30.4°(0.25), 34.3°(0.12), 39.8°(0.08), 42.9°(0.55), 48.2°(0.3), 51.4°(0.1), 53.5°(0.12), 54.5°(0.2), 60.5°(0.16), 63.3°(0.12), 72.3°(0.24), 79.6°(0.06), 84.2°(0.06).
Generate atomic structure description with lattice lengths, ... | JVASP-178825 | 4.61 4.61 2.62
90 90 100
Fe 0.500 0.500 0.000
H -0.000 -0.000 0.500
F 0.817 0.817 0.000
F 0.686 0.314 0.500
F 0.183 0.183 0.000
F 0.314 0.686 0.500 |
Below is a description of a material. | The chemical formula is: Ba2LiAg.
The XRD pattern shows main peaks at: 18.5°(0.17), 21.4°(0.16), 30.4°(1.0), 35.8°(0.1), 37.4°(0.05), 43.5°(0.18), 49.0°(0.07), 54.0°(0.39), 63.2°(0.12), 71.7°(0.15), 87.8°(0.2).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-161174 | 5.88 5.88 5.88
60 60 60
Ba 0.500 0.500 0.500
Ba 0.000 0.000 0.000
Li 0.750 0.750 0.750
Ag 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: BaInIr2.
The XRD pattern shows main peaks at: 11.5°(0.17), 26.6°(0.06), 29.1°(0.12), 35.0°(0.11), 35.5°(1.0), 38.0°(0.59), 44.5°(0.19), 52.6°(0.14), 54.8°(0.21), 62.2°(0.07), 67.0°(0.39), 73.2°(0.09), 81.2°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates a... | JVASP-65480 | 3.35 3.35 7.69
90 90 90
Ba 0.500 0.500 0.000
In 0.500 0.500 0.500
Ir 0.000 0.000 0.695
Ir 0.000 0.000 0.305 |
Below is a description of a material. | The chemical formula is: CuSnF6.
The XRD pattern shows main peaks at: 21.2°(0.09), 23.9°(1.0), 32.6°(0.36), 35.5°(0.15), 40.5°(0.14), 43.2°(0.14), 48.9°(0.13), 53.2°(0.27), 56.3°(0.07), 57.1°(0.14), 61.9°(0.1), 63.6°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-86468 | 5.06 5.06 5.53
62 89 60
Cu 0.000 0.000 0.000
Sn 0.500 -0.000 0.500
F 0.750 0.852 0.252
F 0.250 0.148 0.748
F 0.602 0.503 0.748
F 0.398 0.497 0.252
F 0.105 0.145 0.252
F 0.895 0.855 0.748 |
Below is a description of a material. | The chemical formula is: Pu7Hg.
The XRD pattern shows main peaks at: 11.7°(0.06), 31.1°(1.0), 39.8°(0.5), 46.4°(0.33), 48.2°(0.14), 53.3°(0.06), 55.1°(0.17), 56.0°(0.17), 59.5°(0.13), 66.8°(0.07), 69.1°(0.08), 79.9°(0.09), 86.5°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and ... | JVASP-129964 | 3.72 5.67 7.56
90 90 90
Pu 0.691 0.285 0.223
Pu 0.000 0.500 0.000
Pu 0.691 0.715 0.777
Pu 0.500 0.000 0.000
Pu 0.309 0.285 0.777
Pu 0.500 0.500 0.500
Pu 0.309 0.715 0.223
Hg 0.000 0.000 0.500 |
Below is a description of a material. | The chemical formula is: FePd.
The XRD pattern shows main peaks at: 23.7°(0.09), 33.1°(0.08), 41.1°(1.0), 47.5°(0.32), 48.4°(0.14), 69.5°(0.1), 70.2°(0.19), 84.0°(0.22), 85.4°(0.11), 89.2°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-15076 | 3.76 3.83 3.83
90 90 90
Fe 0.000 0.000 0.000
Fe 0.000 0.500 0.500
Pd 0.500 0.000 0.500
Pd 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: LaSi2Ni3.
The XRD pattern shows main peaks at: 18.8°(0.09), 31.6°(0.9), 32.9°(0.24), 38.2°(0.9), 41.9°(1.0), 46.3°(0.08), 51.7°(0.19), 58.0°(0.33), 65.0°(0.24), 66.1°(0.33), 69.0°(0.23), 81.7°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-183224 | 5.44 5.44 3.53
90 90 120
La 0.000 -0.000 -0.000
Si 0.333 0.667 -0.000
Si 0.667 0.333 0.000
Ni 0.500 0.500 0.500
Ni 1.000 0.500 0.500
Ni 0.500 0.000 0.500 |
Below is a description of a material. | The chemical formula is: BaCl.
The XRD pattern shows main peaks at: 21.5°(0.5), 23.4°(1.0), 29.5°(0.7), 30.1°(0.2), 36.9°(0.48), 38.9°(0.55), 42.3°(0.28), 47.9°(0.24), 48.9°(0.33), 52.8°(0.07), 53.8°(0.08), 58.8°(0.33), 60.1°(0.15), 61.3°(0.09), 65.8°(0.1), 69.5°(0.12), 73.7°(0.13), 75.1°(0.08), 76.2°(0.15), 82.1°(0.07... | JVASP-114556 | 4.28 4.28 8.25
90 90 90
Ba 0.000 0.000 0.765
Ba 0.500 0.500 0.235
Cl 0.000 0.000 0.370
Cl 0.500 0.500 0.630 |
Below is a description of a material. | The chemical formula is: Mg6VCu.
The XRD pattern shows main peaks at: 16.9°(0.43), 25.0°(0.08), 29.7°(0.05), 33.5°(0.07), 34.2°(0.37), 34.8°(0.11), 37.6°(0.42), 38.6°(0.7), 39.2°(1.0), 41.5°(0.1), 49.1°(0.07), 51.7°(0.21), 60.4°(0.16), 61.6°(0.09), 68.6°(0.11), 69.0°(0.16), 73.4°(0.17), 74.5°(0.1), 75.1°(0.17).
Generat... | JVASP-94209 | 6.14 6.14 4.78
90 90 121
Mg 0.173 0.851 0.250
Mg 0.649 0.327 0.250
Mg 0.669 0.831 0.250
Mg 0.324 0.658 0.750
Mg 0.842 0.176 0.750
Mg 0.833 0.667 0.750
V 0.321 0.179 0.750
Cu 0.189 0.311 0.250 |
Below is a description of a material. | The chemical formula is: B11H.
The XRD pattern shows main peaks at: 20.3°(1.0), 22.5°(0.63), 24.4°(0.19), 27.6°(0.06), 33.2°(0.13), 35.8°(0.53), 43.0°(0.34), 47.0°(0.15), 54.2°(0.07), 55.0°(0.06), 60.7°(0.09), 64.5°(0.12), 64.9°(0.12), 66.6°(0.06), 67.2°(0.12), 68.9°(0.15), 69.6°(0.12), 75.9°(0.13).
Generate atomic str... | JVASP-125115 | 5.08 5.43 5.08
53 58 53
B 0.018 0.025 0.657
B 0.657 0.025 0.018
B 0.366 -0.024 0.006
B 0.986 0.328 0.986
B 0.006 -0.024 0.366
B 0.237 0.641 0.237
B 0.211 0.240 0.619
B 0.619 0.240 0.211
B 0.396 0.800 0.777
B 0.759 0.390 0.759
B 0.777 0.800 0.396
H -0.031 0.559 -0.031 |
Below is a description of a material. | The chemical formula is: HfGe2.
The XRD pattern shows main peaks at: 24.0°(0.08), 26.4°(0.18), 29.4°(0.1), 35.8°(0.18), 38.0°(1.0), 43.3°(0.12), 47.6°(0.13), 48.1°(0.14), 55.2°(0.05), 60.4°(0.07), 60.9°(0.07), 61.4°(0.07), 62.9°(0.05), 66.3°(0.06), 70.0°(0.09), 81.2°(0.06), 82.1°(0.1), 82.9°(0.1).
Generate atomic struc... | JVASP-98189 | 3.78 3.82 7.76
104 90 90
Hf 0.250 0.894 0.789
Hf 0.750 0.106 0.211
Ge 0.250 0.561 0.122
Ge 0.750 0.439 0.878
Ge 0.750 0.750 0.499
Ge 0.250 0.250 0.501 |
Below is a description of a material. | The chemical formula is: Ca2AlGe.
The XRD pattern shows main peaks at: 21.0°(0.16), 34.6°(1.0), 40.9°(0.08), 49.8°(0.17), 62.1°(0.32), 73.1°(0.1), 83.4°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-181474 | 5.18 5.18 5.18
60 60 60
Ca 0.250 0.250 0.250
Ca 0.750 0.750 0.750
Al -0.000 -0.000 0.000
Ge 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: SmBiAu2.
The XRD pattern shows main peaks at: 35.0°(1.0), 50.3°(0.18), 62.8°(0.34), 73.9°(0.12), 84.5°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-39074 | 5.13 5.13 5.13
60 60 60
Sm 0.750 0.750 0.750
Bi 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: RbHSe.
The XRD pattern shows main peaks at: 12.7°(1.0), 18.0°(0.48), 25.6°(0.28), 28.7°(0.53), 31.5°(0.18), 36.5°(0.2), 38.8°(0.26), 41.0°(0.15), 45.1°(0.06), 47.1°(0.16), 49.0°(0.15), 54.4°(0.11), 59.4°(0.07), 61.0°(0.08), 74.7°(0.06).
Generate atomic structure description with lattice lengths... | JVASP-135069 | 6.96 6.96 6.96
90 90 90
Rb 0.000 0.000 0.600
H 0.000 0.000 0.242
Se 0.000 0.000 0.031 |
Below is a description of a material. | The chemical formula is: Mg2BeCl.
The XRD pattern shows main peaks at: 11.5°(0.65), 23.2°(0.48), 27.1°(0.26), 29.5°(0.99), 35.1°(0.08), 35.9°(0.41), 38.7°(0.92), 40.5°(0.11), 44.9°(1.0), 45.6°(0.28), 53.2°(0.09), 55.9°(0.28), 61.3°(0.11), 62.7°(0.08), 64.5°(0.17), 67.3°(0.07), 68.2°(0.1), 74.3°(0.41), 83.0°(0.09), 86.7... | JVASP-70924 | 3.29 3.29 7.68
90 90 90
Mg 0.000 0.000 -0.023
Mg 0.500 0.500 0.438
Be 0.000 0.000 0.292
Cl 0.500 0.500 0.793 |
Below is a description of a material. | The chemical formula is: Nd3Ti.
The XRD pattern shows main peaks at: 7.9°(0.07), 15.8°(0.05), 23.8°(0.21), 30.6°(0.78), 31.9°(0.28), 33.7°(1.0), 38.3°(0.29), 44.1°(0.13), 50.7°(0.19), 52.4°(0.26), 58.4°(0.1), 62.0°(0.11), 62.7°(0.23), 63.8°(0.15), 85.4°(0.09), 87.1°(0.13).
Generate atomic structure description with lat... | JVASP-128027 | 3.49 3.49 11.22
90 90 120
Nd 0.000 0.000 0.500
Nd 0.333 0.667 0.222
Nd 0.667 0.333 0.778
Ti 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: PrInAg2.
The XRD pattern shows main peaks at: 35.5°(1.0), 51.1°(0.16), 63.7°(0.35), 75.1°(0.11), 85.9°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-56573 | 5.06 5.06 5.06
60 60 60
Pr 0.500 0.500 0.500
In 0.000 0.000 0.000
Ag 0.250 0.250 0.250
Ag 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: Li2UMo2O10.
The XRD pattern shows main peaks at: 11.8°(0.2), 17.0°(0.08), 17.9°(0.72), 20.4°(0.18), 23.3°(0.44), 24.2°(1.0), 25.9°(0.07), 28.6°(0.32), 30.4°(0.2), 31.7°(0.18), 32.6°(0.15), 35.2°(0.17), 38.0°(0.07), 40.3°(0.09), 41.4°(0.09), 42.2°(0.09), 43.2°(0.1), 45.8°(0.09), 49.6°(0.12), 50.... | JVASP-86615 | 5.34 5.81 8.28
108 101 103
Li 0.480 0.216 0.424
Li 0.520 0.784 0.576
U 0.000 0.000 0.000
Mo 0.914 0.657 0.304
Mo 0.086 0.343 0.696
O 0.783 0.126 0.540
O 0.785 0.794 0.151
O 0.683 0.948 0.837
O 0.982 0.376 0.178
O 0.315 0.432 0.584
O 0.018 0.624 0.822
O 0.215 0.206 0.849
O 0.685 0.568 0.416
O 0.217 0.874 0.460
O 0.317 0... |
Below is a description of a material. | The chemical formula is: Tl3VSe2S2.
The XRD pattern shows main peaks at: 15.9°(0.08), 23.1°(0.86), 27.9°(0.27), 28.6°(0.29), 32.0°(0.23), 32.9°(1.0), 33.9°(0.3), 39.8°(0.3), 41.3°(0.16), 47.3°(0.12), 49.9°(0.1), 52.1°(0.18), 53.2°(0.28), 54.5°(0.1), 59.2°(0.08), 60.0°(0.18), 74.0°(0.08).
Generate atomic structure descr... | JVASP-170054 | 6.56 6.79 6.79
69 70 109
Tl 0.500 0.467 0.033
Tl 0.500 0.967 0.533
Tl -0.000 0.518 0.482
V -0.000 0.007 -0.007
Se -0.000 0.347 -0.006
Se -0.000 0.006 0.653
S 0.669 0.678 0.322
S 0.331 0.009 -0.009 |
Below is a description of a material. | The chemical formula is: YNiIr.
The XRD pattern shows main peaks at: 23.5°(0.22), 25.0°(0.27), 34.6°(1.0), 44.0°(0.58), 48.0°(0.14), 50.5°(0.17), 54.9°(0.07), 57.1°(0.26), 67.2°(0.31), 74.8°(0.24), 80.8°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-178932 | 4.12 4.12 3.79
90 90 120
Y 0.000 -0.000 -0.000
Ni 0.667 0.333 0.500
Ir 0.333 0.667 0.500 |
Below is a description of a material. | The chemical formula is: YbSb2Te4.
The XRD pattern shows main peaks at: 18.0°(0.28), 22.2°(0.17), 25.6°(0.46), 28.8°(0.4), 29.1°(1.0), 34.2°(1.0), 36.6°(0.39), 39.2°(0.22), 43.3°(0.27), 45.7°(0.19), 47.4°(0.26), 54.7°(0.14), 56.1°(0.06), 60.4°(0.13), 64.3°(0.07).
Generate atomic structure description with lattice lengt... | JVASP-53637 | 8.47 8.47 8.47
109 110 109
Yb 0.125 0.750 0.875
Yb 0.375 0.250 0.625
Sb 0.250 0.506 0.256
Sb 0.750 0.994 0.244
Sb 0.744 0.494 0.250
Sb 0.756 0.006 0.750
Te 0.004 0.914 0.537
Te 0.037 0.414 0.504
Te 0.496 0.032 0.909
Te 0.091 0.086 0.123
Te 0.409 0.532 0.996
Te 0.623 0.586 0.591
Te 0.463 0.968 0.377
Te 0.877 0.468 0.963 |
Below is a description of a material. | The chemical formula is: BBrN2.
The XRD pattern shows main peaks at: 14.6°(0.86), 29.4°(0.27), 33.6°(0.41), 36.8°(1.0), 44.7°(0.18), 45.2°(0.37), 48.3°(0.3), 50.7°(0.18), 57.0°(0.2), 57.5°(0.18), 67.9°(0.17), 70.6°(0.09), 71.4°(0.13), 72.6°(0.06), 78.3°(0.07), 80.5°(0.07), 82.4°(0.18), 87.9°(0.11).
Generate atomic stru... | JVASP-115476 | 2.67 2.67 6.09
90 90 90
B 0.500 0.500 0.574
Br 0.000 0.000 0.154
N 0.000 0.000 0.479
N 0.500 0.500 0.803 |
Below is a description of a material. | The chemical formula is: SiCl4.
The XRD pattern shows main peaks at: 17.1°(0.31), 18.6°(0.25), 19.3°(0.26), 20.6°(0.18), 23.3°(0.17), 24.3°(0.11), 28.1°(0.66), 30.1°(0.64), 32.0°(1.0), 41.8°(0.19), 49.6°(0.18), 50.2°(0.36), 54.9°(0.37), 59.7°(0.16), 60.4°(0.09), 61.1°(0.06), 77.7°(0.06).
Generate atomic structure descr... | JVASP-173228 | 6.28 9.42 9.48
102 90 90
Si 0.925 0.752 0.638
Si 0.425 0.248 0.862
Si 0.075 0.248 0.362
Si 0.575 0.752 0.138
Cl 0.079 0.583 0.697
Cl 0.579 0.417 0.803
Cl 0.921 0.417 0.303
Cl 0.421 0.583 0.197
Cl 0.928 0.927 0.807
Cl 0.428 0.073 0.693
Cl 0.072 0.073 0.193
Cl 0.572 0.927 0.307
Cl 0.077 0.804 0.466
Cl 0.577 0.196 0.034
C... |
Below is a description of a material. | The chemical formula is: Mn2Sb.
The XRD pattern shows main peaks at: 22.8°(0.09), 28.1°(0.29), 32.9°(0.16), 40.0°(1.0), 40.4°(0.78), 49.6°(0.06), 52.8°(0.23), 58.2°(0.25), 65.6°(0.06), 69.0°(0.06), 73.0°(0.24), 82.1°(0.06), 82.9°(0.23), 86.4°(0.1).
Generate atomic structure description with lattice lengths, angles, coo... | JVASP-14403 | 4.50 4.50 5.44
90 90 120
Mn 0.000 0.000 0.000
Mn 0.000 0.000 0.500
Mn 0.333 0.667 0.250
Mn 0.667 0.333 0.750
Sb 0.333 0.667 0.750
Sb 0.667 0.333 0.250 |
Below is a description of a material. | The chemical formula is: Yb2TlBi.
The XRD pattern shows main peaks at: 32.7°(1.0), 46.9°(0.19), 58.3°(0.35), 68.5°(0.12), 78.0°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-157068 | 5.48 5.48 5.48
60 60 60
Yb 0.000 0.000 0.000
Yb 0.500 0.500 0.500
Tl 0.750 0.750 0.750
Bi 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: K3CeI6.
The XRD pattern shows main peaks at: 12.1°(0.14), 13.9°(0.56), 24.3°(0.79), 28.1°(1.0), 31.5°(0.35), 40.2°(0.71), 47.5°(0.37), 49.7°(0.24), 58.1°(0.12), 65.8°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-100083 | 8.98 8.98 8.98
60 60 60
K 0.750 0.750 0.750
K 0.250 0.250 0.250
K 0.500 0.500 0.500
Ce 0.000 0.000 0.000
I 0.757 0.243 0.243
I 0.243 0.243 0.757
I 0.243 0.757 0.757
I 0.243 0.757 0.243
I 0.757 0.243 0.757
I 0.757 0.757 0.243 |
Below is a description of a material. | The chemical formula is: SbMo2S2.
The XRD pattern shows main peaks at: 9.7°(0.72), 14.0°(0.92), 14.8°(0.57), 27.0°(0.39), 28.9°(0.17), 31.2°(0.35), 34.0°(1.0), 35.0°(0.74), 39.1°(0.82), 40.5°(0.58), 41.1°(0.28), 42.1°(0.27), 43.1°(0.2), 45.7°(0.26), 46.9°(0.2), 50.5°(0.35), 56.2°(0.33), 57.2°(0.29), 58.2°(0.17), 63.2°(... | JVASP-97980 | 3.22 6.55 9.50
105 90 90
Sb 0.750 0.003 0.663
Sb 0.250 0.997 0.337
Mo 0.750 0.105 0.113
Mo 0.750 0.339 0.520
Mo 0.250 0.895 0.887
Mo 0.250 0.661 0.480
S 0.250 0.266 0.992
S 0.250 0.525 0.691
S 0.750 0.734 0.008
S 0.750 0.475 0.309 |
Below is a description of a material. | The chemical formula is: YBiF.
The XRD pattern shows main peaks at: 10.7°(0.58), 21.5°(0.49), 27.0°(1.0), 29.1°(0.26), 32.5°(0.2), 34.8°(0.6), 38.5°(0.4), 40.1°(0.12), 42.8°(0.37), 44.5°(0.29), 51.3°(0.24), 55.6°(0.19), 60.3°(0.13), 62.9°(0.35), 65.9°(0.11), 67.3°(0.18), 69.7°(0.12), 72.6°(0.17), 82.6°(0.12), 88.8°(0.1... | JVASP-117731 | 3.31 3.31 8.25
90 90 90
Y 0.000 0.000 -0.021
Bi 0.000 0.000 0.382
F 0.000 0.000 0.737 |
Below is a description of a material. | The chemical formula is: Dy2IrRu.
The XRD pattern shows main peaks at: 37.4°(1.0), 53.9°(0.17), 67.5°(0.32), 79.7°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-41405 | 4.81 4.81 4.81
60 60 60
Dy 0.500 0.500 0.500
Dy 0.000 0.000 0.000
Ir 0.250 0.250 0.250
Ru 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: BaMoO3.
The XRD pattern shows main peaks at: 31.1°(1.0), 38.3°(0.05), 44.6°(0.29), 55.3°(0.35), 64.9°(0.17), 73.7°(0.17), 82.1°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-17473 | 4.07 4.07 4.07
90 90 90
Ba 0.500 0.500 0.500
Mo 0.000 0.000 0.000
O 0.000 0.500 0.000
O 0.000 0.000 0.500
O 0.500 0.000 0.000 |
Below is a description of a material. | The chemical formula is: HfSi3.
The XRD pattern shows main peaks at: 19.7°(0.4), 25.5°(0.93), 33.4°(0.24), 38.3°(0.32), 39.1°(1.0), 40.1°(0.23), 47.9°(0.27), 52.3°(0.14), 53.1°(0.13), 55.1°(0.22), 56.6°(0.11), 62.9°(0.16), 64.2°(0.23), 70.1°(0.09), 72.2°(0.17), 77.3°(0.09), 83.3°(0.23), 84.0°(0.11).
Generate atomic str... | JVASP-186627 | 3.80 3.80 5.24
111 111 90
Hf -0.000 -0.000 0.000
Si 0.250 0.750 0.500
Si 0.750 0.250 0.500
Si 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: BaSnSe2.
The XRD pattern shows main peaks at: 24.0°(0.16), 27.4°(0.47), 27.9°(1.0), 39.5°(0.71), 39.9°(0.34), 46.4°(0.08), 47.0°(0.06), 49.0°(0.35), 57.6°(0.13), 62.8°(0.07), 64.2°(0.12), 65.2°(0.19), 71.4°(0.09), 72.1°(0.24), 85.0°(0.06).
Generate atomic structure description with lattice leng... | JVASP-179599 | 4.52 4.52 6.51
90 90 90
Ba 0.500 0.500 0.509
Sn 0.000 0.000 0.033
Se 0.000 0.000 0.458
Se 0.500 0.500 0.010 |
Below is a description of a material. | The chemical formula is: HoAl3.
The XRD pattern shows main peaks at: 17.1°(0.49), 18.6°(0.16), 23.7°(1.0), 26.9°(0.94), 28.9°(0.85), 33.8°(0.4), 37.7°(0.85), 38.4°(0.45), 39.9°(0.85), 48.8°(0.43), 51.3°(0.18), 60.0°(0.33), 66.9°(0.05), 73.5°(0.37).
Generate atomic structure description with lattice lengths, angles, coo... | JVASP-147457 | 7.88 7.88 7.88
46 46 46
Ho 0.000 0.000 0.000
Ho 0.782 0.782 0.782
Ho 0.218 0.218 0.218
Al 0.500 0.500 0.000
Al 0.000 0.500 0.500
Al 0.500 -0.000 0.500
Al 0.704 0.704 0.261
Al 0.261 0.704 0.704
Al 0.704 0.261 0.704
Al 0.296 0.296 0.739
Al 0.739 0.296 0.296
Al 0.296 0.739 0.296 |
Below is a description of a material. | The chemical formula is: NdSiRu.
The XRD pattern shows main peaks at: 12.8°(0.29), 24.6°(0.82), 29.8°(0.13), 32.6°(0.91), 33.5°(0.69), 39.1°(0.27), 39.8°(1.0), 42.7°(0.66), 49.9°(0.27), 55.3°(0.33), 57.7°(0.2), 59.3°(0.32), 61.9°(0.29), 71.7°(0.19), 72.2°(0.07), 74.3°(0.21), 75.8°(0.24), 76.2°(0.29), 87.7°(0.09), 89.7°... | JVASP-86500 | 4.24 4.24 6.91
90 90 90
Nd 0.750 0.750 0.323
Nd 0.250 0.250 0.677
Si 0.750 0.750 0.823
Si 0.250 0.250 0.177
Ru 0.750 0.250 0.000
Ru 0.250 0.750 0.000 |
Below is a description of a material. | The chemical formula is: FeAs2O7.
The XRD pattern shows main peaks at: 18.1°(0.31), 19.5°(0.26), 23.2°(0.87), 24.0°(0.15), 28.0°(0.14), 29.3°(1.0), 30.0°(0.88), 30.5°(0.76), 36.7°(0.34), 38.2°(0.3), 40.4°(0.19), 44.0°(0.14), 44.3°(0.17), 47.2°(0.17), 49.2°(0.16), 51.8°(0.25), 56.0°(0.17), 58.8°(0.26), 64.2°(0.17), 68.2... | JVASP-99456 | 5.05 5.05 4.70
80 80 98
Fe 0.889 0.111 -0.000
As 0.313 0.260 0.402
As 0.740 0.687 0.598
O 0.164 0.030 0.727
O 0.147 0.358 0.119
O 0.605 0.137 0.299
O 0.970 0.836 0.273
O 0.642 0.853 0.881
O 0.863 0.395 0.701
O 0.421 0.579 0.500 |
Below is a description of a material. | The chemical formula is: SnHCl.
The XRD pattern shows main peaks at: 21.7°(1.0), 28.1°(0.43), 35.7°(0.58), 38.0°(0.57), 44.2°(0.16), 47.9°(0.59), 53.1°(0.19), 62.7°(0.13), 67.2°(0.21), 68.6°(0.1), 71.5°(0.18), 75.7°(0.23), 88.0°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and ... | JVASP-118055 | 4.74 4.74 3.18
90 90 120
Sn 0.667 0.333 0.000
H 0.333 0.667 0.000
Cl 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Li8Tl.
The XRD pattern shows main peaks at: 4.1°(1.0), 8.1°(0.23), 12.2°(0.1), 16.3°(0.05), 32.5°(0.07), 33.3°(0.06), 34.6°(0.05), 36.4°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-130725 | 3.20 3.20 21.70
90 90 120
Li 0.000 0.000 0.219
Li 0.000 0.000 0.004
Li 0.333 0.667 0.444
Li 0.667 0.333 0.556
Li 0.667 0.333 0.332
Li 0.000 0.000 0.778
Li 0.333 0.667 0.890
Li 0.333 0.667 0.667
Tl 0.667 0.333 0.111 |
Below is a description of a material. | The chemical formula is: AlAsPt.
The XRD pattern shows main peaks at: 22.6°(1.0), 31.8°(0.42), 39.4°(0.89), 39.7°(0.96), 46.2°(0.17), 51.8°(0.66), 57.2°(0.3), 62.6°(0.13), 66.5°(0.08), 71.2°(0.09), 71.9°(0.31), 80.3°(0.25), 81.0°(0.18), 85.7°(0.11).
Generate atomic structure description with lattice lengths, angles, co... | JVASP-180909 | 4.54 4.54 2.81
90 90 120
Al -0.000 -0.000 0.000
As 0.333 0.667 0.500
Pt 0.667 0.333 0.500 |
Below is a description of a material. | The chemical formula is: CeNd3.
The XRD pattern shows main peaks at: 30.5°(1.0), 35.3°(0.57), 50.8°(0.4), 60.4°(0.47), 63.4°(0.13), 74.7°(0.06), 82.7°(0.18), 85.4°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-103239 | 5.08 5.08 5.08
90 90 90
Ce 0.000 0.000 0.000
Nd 0.000 0.500 0.500
Nd 0.500 0.000 0.500
Nd 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: CeSi2Pt.
The XRD pattern shows main peaks at: 10.6°(0.3), 21.3°(0.1), 26.3°(0.13), 30.1°(1.0), 34.0°(0.48), 38.6°(0.17), 40.3°(0.12), 42.4°(0.32), 48.5°(0.11), 52.7°(0.19), 53.8°(0.12), 55.5°(0.25), 58.6°(0.1), 61.5°(0.15), 66.3°(0.09), 70.1°(0.12), 70.9°(0.1), 72.1°(0.06), 87.4°(0.07).
Generat... | JVASP-86405 | 4.26 4.27 8.63
104 90 90
Ce 0.250 0.603 0.206
Ce 0.750 0.397 0.794
Si 0.250 0.965 0.931
Si 0.750 0.035 0.069
Si 0.750 0.749 0.498
Si 0.250 0.251 0.502
Pt 0.750 0.179 0.358
Pt 0.250 0.821 0.642 |
Below is a description of a material. | The chemical formula is: AlCuO2.
The XRD pattern shows main peaks at: 15.6°(0.13), 31.4°(0.33), 36.5°(0.46), 37.6°(1.0), 42.0°(0.32), 47.9°(0.08), 52.5°(0.07), 56.8°(0.36), 64.9°(0.25), 66.3°(0.23), 73.8°(0.16), 77.5°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-8235 | 5.94 5.94 5.94
28 28 28
Al 0.500 0.500 0.500
Cu 0.000 0.000 0.000
O 0.890 0.890 0.890
O 0.110 0.110 0.110 |
Below is a description of a material. | The chemical formula is: Ac3Cl.
The XRD pattern shows main peaks at: 7.9°(0.07), 15.9°(0.05), 23.9°(0.25), 27.2°(1.0), 30.6°(0.92), 32.1°(0.15), 35.6°(0.22), 41.7°(0.2), 45.8°(0.3), 48.7°(0.2), 52.3°(0.22), 54.0°(0.16), 56.0°(0.17), 57.0°(0.18), 73.4°(0.13), 75.1°(0.14), 86.8°(0.08).
Generate atomic structure descripti... | JVASP-131393 | 3.97 3.97 11.15
90 90 120
Ac 0.667 0.333 0.211
Ac 0.000 0.000 0.500
Ac 0.333 0.667 0.789
Cl 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: U3Xe.
The XRD pattern shows main peaks at: 8.8°(1.0), 17.6°(0.09), 26.7°(0.31), 30.5°(0.16), 36.7°(0.39), 40.0°(0.27), 43.9°(0.15), 45.0°(0.12), 50.7°(0.07), 51.7°(0.09), 52.3°(0.09), 58.2°(0.08), 65.0°(0.05), 70.1°(0.08), 75.9°(0.07).
Generate atomic structure description with lattice lengths,... | JVASP-123543 | 3.54 10.06 3.60
90 90 90
U 0.500 0.473 0.250
U 0.500 0.655 0.750
U 0.000 0.760 0.250
Xe 0.000 0.112 0.750 |
Below is a description of a material. | The chemical formula is: BH6N.
The XRD pattern shows main peaks at: 24.3°(1.0), 26.2°(0.15), 29.0°(0.23), 30.1°(0.08), 35.2°(0.08), 39.5°(0.15), 48.6°(0.07), 52.3°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-153771 | 4.59 4.59 6.14
90 90 95
B 0.848 0.152 0.297
B 0.152 0.848 0.797
H 0.787 0.887 0.296
H 0.213 0.113 0.796
H 0.887 0.787 0.796
H 0.113 0.213 0.296
H 0.734 0.266 0.451
H 0.266 0.734 0.951
H 0.500 0.231 0.061
H 0.500 0.769 0.561
H 0.231 0.500 0.561
H 0.769 0.500 0.061
H 0.814 0.186 0.942
H 0.186 0.814 0.442
N 0.722 0.278 0.... |
Below is a description of a material. | The chemical formula is: LiHoO2.
The XRD pattern shows main peaks at: 17.7°(1.0), 31.5°(0.75), 33.2°(0.47), 35.9°(0.13), 39.3°(0.65), 43.4°(0.27), 53.2°(0.18), 55.0°(0.26), 58.2°(0.27), 58.7°(0.18), 64.7°(0.09), 69.7°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-102435 | 5.36 5.36 5.36
36 36 36
Li 0.000 0.000 0.000
Ho 0.500 0.500 0.500
O 0.246 0.246 0.246
O 0.754 0.754 0.754 |
Below is a description of a material. | The chemical formula is: CeY.
The XRD pattern shows main peaks at: 15.4°(0.06), 29.6°(0.26), 31.0°(0.28), 33.5°(1.0), 43.4°(0.19), 52.6°(0.18), 56.8°(0.21), 62.3°(0.22), 63.8°(0.16), 81.0°(0.08), 87.2°(0.13), 87.9°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-123276 | 3.48 3.48 5.77
90 90 120
Ce 0.667 0.333 0.750
Y 0.333 0.667 0.250 |
Below is a description of a material. | The chemical formula is: ZrN.
The XRD pattern shows main peaks at: 32.4°(0.28), 36.3°(1.0), 46.5°(0.27), 57.7°(0.22), 60.5°(0.22), 67.8°(0.17), 70.1°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-36520 | 3.19 3.19 5.51
89 90 120
Zr 0.021 0.043 0.005
Zr 0.688 0.376 0.505
N 0.355 0.709 0.255
N 0.355 0.709 0.755 |
Below is a description of a material. | The chemical formula is: BaYSe.
The XRD pattern shows main peaks at: 16.4°(0.34), 21.4°(0.25), 21.7°(0.25), 22.7°(1.0), 28.1°(0.67), 31.4°(0.21), 33.1°(0.4), 36.4°(0.6), 40.5°(0.46), 43.5°(0.18), 44.3°(0.17), 46.4°(0.15), 49.7°(0.22), 50.3°(0.22), 51.6°(0.1), 55.1°(0.18), 58.2°(0.15), 63.1°(0.11), 65.5°(0.11), 66.1°(0.... | JVASP-133984 | 6.37 8.29 3.91
90 90 40
Ba -0.058 -0.043 0.000
Y -0.058 0.457 0.000
Se 0.442 -0.043 0.000 |
Below is a description of a material. | The chemical formula is: BeCdSb.
The XRD pattern shows main peaks at: 25.1°(0.26), 31.9°(1.0), 39.4°(0.12), 44.1°(0.26), 47.3°(0.1), 55.5°(0.2), 60.6°(0.19), 66.7°(0.12), 73.5°(0.17), 83.5°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-71470 | 4.10 4.10 4.57
90 90 119
Be 0.000 0.000 0.092
Cd 0.333 0.667 0.698
Sb 0.667 0.333 0.209 |
Below is a description of a material. | The chemical formula is: NaNbF4.
The XRD pattern shows main peaks at: 16.8°(0.24), 22.7°(1.0), 29.9°(0.1), 33.2°(0.12), 34.1°(0.19), 42.8°(0.28), 46.3°(0.07), 48.3°(0.19), 49.0°(0.23), 55.2°(0.06), 55.8°(0.17), 62.1°(0.08), 66.5°(0.13), 72.8°(0.07).
Generate atomic structure description with lattice lengths, angles, co... | JVASP-114928 | 6.05 6.05 6.05
139 139 59
Na 0.250 0.750 0.500
Nb 0.500 0.500 0.000
F 0.304 0.304 0.000
F 0.696 0.696 0.000
F 0.490 0.990 0.500
F 0.010 0.510 0.500 |
Below is a description of a material. | The chemical formula is: Li4CO4.
The XRD pattern shows main peaks at: 22.7°(0.21), 24.1°(1.0), 30.2°(0.17), 38.1°(0.64), 43.3°(0.4), 46.3°(0.23), 50.1°(0.33), 56.3°(0.11), 60.9°(0.25), 62.8°(0.11), 65.2°(0.25).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-109498 | 4.91 4.91 4.91
129 129 74
Li 0.844 0.445 0.001
Li 0.556 0.555 0.399
Li 0.444 0.843 0.999
Li 0.156 0.157 0.601
C 0.000 0.000 0.000
O 0.087 0.698 1.000
O 0.698 0.087 0.000
O 0.913 0.913 0.611
O 0.302 0.302 0.389 |
Below is a description of a material. | The chemical formula is: ErTmMg2.
The XRD pattern shows main peaks at: 23.9°(0.67), 34.0°(1.0), 42.0°(0.21), 48.9°(0.19), 55.1°(0.28), 60.9°(0.39), 71.6°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-99773 | 5.27 5.27 5.27
60 59 60
Er 0.500 0.500 0.500
Tm 0.000 0.000 0.000
Mg 0.250 0.250 0.250
Mg 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: MnV2.
The XRD pattern shows main peaks at: 43.4°(1.0), 44.9°(0.89), 64.2°(0.28), 78.5°(0.15), 81.8°(0.27), 82.9°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-185455 | 4.80 2.60 4.03
89 65 122
Mn 0.113 0.831 0.009
V 0.446 0.839 0.342
V 0.780 0.823 0.676 |
Below is a description of a material. | The chemical formula is: P2F.
The XRD pattern shows main peaks at: 18.8°(0.06), 21.0°(1.0), 28.3°(0.3), 36.4°(0.64), 38.1°(0.12), 42.4°(0.26), 42.8°(0.29), 43.9°(0.58), 46.8°(0.12), 53.7°(0.09), 57.4°(0.23), 58.3°(0.46), 66.3°(0.06), 71.0°(0.19), 77.3°(0.06), 78.1°(0.09), 79.2°(0.06).
Generate atomic structure descript... | JVASP-133796 | 4.72 4.23 2.47
90 90 90
P 0.274 -0.044 0.000
P 0.726 -0.044 0.000
F 0.000 0.360 0.000 |
Below is a description of a material. | The chemical formula is: MgZnPd2.
The XRD pattern shows main peaks at: 13.1°(0.15), 26.4°(0.11), 29.9°(0.17), 40.3°(1.0), 42.8°(0.43), 50.9°(0.08), 54.3°(0.1), 62.1°(0.14), 71.4°(0.16), 76.6°(0.29), 87.0°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-190417 | 2.99 2.99 6.76
90 90 90
Zn -0.000 0.000 0.000
Mg -0.000 0.000 0.500
Pd 0.500 0.500 0.239
Pd 0.500 0.500 0.761 |
Below is a description of a material. | The chemical formula is: Ca4Cd3Au.
The XRD pattern shows main peaks at: 5.8°(0.19), 23.5°(0.16), 23.8°(0.29), 33.7°(1.0), 41.7°(0.16), 48.8°(0.17), 54.9°(0.09), 60.6°(0.33), 71.5°(0.05), 81.5°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-104759 | 3.73 3.73 15.17
90 90 90
Ca 0.500 0.500 0.114
Ca 0.500 0.500 0.372
Ca 0.500 0.500 0.628
Ca 0.500 0.500 0.886
Cd 0.000 0.000 0.245
Cd 0.000 0.000 0.500
Cd 0.000 0.000 0.755
Au 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Tb2CaO4.
The XRD pattern shows main peaks at: 16.1°(0.3), 17.9°(0.24), 28.0°(0.28), 29.2°(1.0), 32.3°(0.27), 36.3°(0.31), 37.4°(0.32), 40.0°(0.26), 44.3°(0.16), 50.5°(0.14), 52.3°(0.07), 55.2°(0.1), 55.8°(0.33), 63.7°(0.19), 65.4°(0.08), 67.6°(0.06), 82.3°(0.1).
Generate atomic structure descri... | JVASP-50858 | 5.79 5.79 10.98
90 90 33
Tb 0.368 0.368 0.425
Tb 0.368 0.368 0.075
Tb 0.632 0.632 0.575
Tb 0.632 0.632 0.925
Ca 0.113 0.113 0.250
Ca 0.887 0.887 0.750
O 0.000 0.000 0.000
O 0.000 0.000 0.500
O 0.268 0.268 0.614
O 0.469 0.469 0.250
O 0.531 0.531 0.750
O 0.732 0.732 0.386
O 0.268 0.268 0.886
O 0.732 0.732 0.114 |
Below is a description of a material. | The chemical formula is: ScZn.
The XRD pattern shows main peaks at: 26.7°(0.07), 38.1°(1.0), 55.0°(0.16), 68.9°(0.32), 81.6°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-16618 | 3.34 3.34 3.34
90 90 90
Sc 0.000 0.000 0.000
Zn 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: TmAsS.
The XRD pattern shows main peaks at: 21.2°(0.1), 25.7°(1.0), 31.8°(0.08), 33.3°(0.23), 35.0°(0.56), 39.8°(0.93), 47.7°(0.23), 55.0°(0.21), 69.9°(0.13), 83.7°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-145091 | 3.80 3.82 16.75
90 90 90
Tm 0.250 0.238 0.854
Tm 0.250 0.262 0.354
Tm 0.750 0.762 0.146
Tm 0.750 0.738 0.646
As 0.750 0.225 0.501
As 0.750 0.275 0.001
As 0.250 0.775 0.499
As 0.250 0.725 0.999
S 0.250 0.240 0.687
S 0.250 0.260 0.187
S 0.750 0.760 0.313
S 0.750 0.740 0.813 |
Below is a description of a material. | The chemical formula is: LiBeAs.
The XRD pattern shows main peaks at: 14.3°(0.07), 27.9°(1.0), 28.9°(0.22), 33.9°(0.33), 37.7°(0.07), 45.1°(0.36), 48.6°(0.16), 50.6°(0.18), 57.0°(0.28), 57.6°(0.12), 72.8°(0.13), 78.1°(0.05), 81.3°(0.05), 88.4°(0.1).
Generate atomic structure description with lattice lengths, angles, co... | JVASP-2988 | 3.74 3.74 6.18
90 90 90
Li 0.500 0.000 0.351
Li 0.000 0.500 0.649
Be 0.500 0.500 0.000
Be 0.000 0.000 0.000
As 0.500 0.000 0.776
As 0.000 0.500 0.224 |
Below is a description of a material. | The chemical formula is: ThZr2U2O10.
The XRD pattern shows main peaks at: 5.8°(0.41), 23.3°(0.09), 27.4°(0.09), 28.8°(1.0), 30.4°(0.1), 33.5°(0.44), 47.9°(0.37), 56.9°(0.16), 59.7°(0.09), 77.5°(0.13), 89.4°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-146423 | 15.46 15.46 15.46
14 14 14
Th 0.996 0.996 0.996
Zr 0.596 0.596 0.596
Zr 0.202 0.202 0.202
U 0.804 0.804 0.804
U 0.402 0.402 0.402
O 0.051 0.051 0.051
O 0.855 0.855 0.855
O 0.453 0.453 0.453
O 0.644 0.644 0.644
O 0.248 0.248 0.248
O 0.349 0.349 0.349
O 0.155 0.155 0.155
O 0.752 0.752 0.752
O 0.943 0.943 0.943
O 0.550 0.... |
Below is a description of a material. | The chemical formula is: Er7Te2Pt2.
The XRD pattern shows main peaks at: 11.4°(0.2), 18.7°(0.05), 21.9°(0.08), 28.6°(0.13), 30.1°(0.45), 33.1°(0.41), 33.8°(1.0), 34.3°(0.37), 36.5°(0.2), 38.3°(0.26), 39.6°(0.18), 46.3°(0.25), 50.7°(0.08), 58.1°(0.19).
Generate atomic structure description with lattice lengths, angles, ... | JVASP-168724 | 3.92 9.32 9.32
61 77 77
Er 0.131 0.453 0.285
Er 0.869 0.715 0.547
Er 0.316 0.059 0.308
Er 0.684 0.692 0.941
Er 0.356 0.377 0.911
Er 0.644 0.089 0.623
Er 0.000 0.002 -0.002
Te 0.500 0.737 0.263
Te 0.000 0.339 0.661
Pt 0.238 0.836 0.688
Pt 0.762 0.312 0.164 |
Below is a description of a material. | The chemical formula is: TiNb2S4.
The XRD pattern shows main peaks at: 14.7°(0.84), 16.6°(0.34), 26.1°(0.15), 29.4°(0.15), 30.3°(0.42), 33.6°(1.0), 34.7°(0.14), 40.4°(0.08), 40.9°(0.27), 41.3°(0.19), 42.5°(0.4), 43.4°(0.64), 45.5°(0.23), 49.5°(0.14), 52.7°(0.22), 54.4°(0.21), 54.9°(0.09), 56.0°(0.12), 61.6°(0.09), 65.4... | JVASP-155240 | 6.85 6.85 6.09
114 114 28
Ti 0.000 0.000 -0.000
Nb 0.259 0.259 0.317
Nb 0.741 0.741 0.683
S 0.366 0.366 0.026
S 0.103 0.103 0.441
S 0.897 0.897 0.559
S 0.634 0.634 0.974 |
Below is a description of a material. | The chemical formula is: LiZrGaNi.
The XRD pattern shows main peaks at: 25.3°(0.19), 29.3°(0.22), 41.9°(1.0), 51.9°(0.06), 60.7°(0.15), 76.5°(0.31).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-190192 | 4.31 4.31 4.31
60 60 60
Ni 0.500 0.500 0.500
Ga 0.250 0.250 0.250
Zr 0.750 0.750 0.750
Li -0.000 -0.000 -0.000 |
Below is a description of a material. | The chemical formula is: Sr2NiRuO6.
The XRD pattern shows main peaks at: 32.4°(1.0), 46.4°(0.32), 57.8°(0.36), 67.8°(0.21), 77.1°(0.15), 86.2°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-150578 | 5.53 5.53 5.53
60 60 60
Sr 0.750 0.750 0.750
Sr 0.250 0.250 0.250
Ni 0.000 0.000 0.000
Ru 0.500 0.500 0.500
O 0.748 0.748 0.252
O 0.252 0.252 0.748
O 0.748 0.252 0.748
O 0.252 0.748 0.252
O 0.252 0.748 0.748
O 0.748 0.252 0.252 |
Below is a description of a material. | The chemical formula is: NdTa.
The XRD pattern shows main peaks at: 34.7°(1.0), 49.9°(0.18), 62.2°(0.36), 73.3°(0.11), 83.7°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-128265 | 3.65 3.65 3.65
90 90 90
Nd 0.500 0.500 0.500
Ta 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: YbLi3.
The XRD pattern shows main peaks at: 20.6°(1.0), 23.9°(0.49), 34.0°(0.55), 40.1°(0.56), 41.9°(0.15), 48.8°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-107670 | 5.28 5.28 5.28
60 60 60
Yb 0.000 0.000 0.000
Li 0.250 0.250 0.250
Li 0.750 0.750 0.750
Li 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: NaFe2S2.
The XRD pattern shows main peaks at: 15.4°(1.0), 31.1°(0.09), 33.9°(0.29), 38.1°(0.44), 47.2°(0.32), 49.9°(0.27), 52.5°(0.14), 60.0°(0.29), 61.6°(0.09), 73.2°(0.08), 85.9°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-183851 | 6.31 6.31 6.31
146 146 48
Na -0.000 -0.000 0.000
Fe 0.250 0.750 0.500
Fe 0.750 0.250 0.500
S 0.646 0.646 -0.000
S 0.354 0.354 0.000 |
Below is a description of a material. | The chemical formula is: TaNb2InH.
The XRD pattern shows main peaks at: 36.6°(1.0), 41.4°(0.33), 44.6°(0.14), 60.1°(0.1), 62.5°(0.2), 72.4°(0.26), 76.9°(0.11), 77.8°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-187495 | 4.36 4.36 4.06
90 90 90
H 0.000 0.000 -0.000
Nb 0.000 0.500 -0.000
Nb 0.500 0.000 -0.000
In 0.500 0.500 0.500
Ta 0.000 0.000 0.500 |
Below is a description of a material. | The chemical formula is: ThCo5.
The XRD pattern shows main peaks at: 20.8°(0.17), 22.2°(0.14), 30.6°(0.72), 36.5°(0.38), 42.4°(0.37), 43.1°(1.0), 45.4°(0.23), 59.5°(0.18), 62.0°(0.2), 63.8°(0.23), 65.6°(0.07), 70.2°(0.22), 77.5°(0.14), 82.2°(0.15), 83.4°(0.07), 85.6°(0.09).
Generate atomic structure description with la... | JVASP-149157 | 4.93 4.93 4.00
90 90 120
Th 0.000 0.000 0.000
Co 0.333 0.667 0.000
Co 0.667 0.333 0.000
Co 0.500 -0.000 0.500
Co -0.000 0.500 0.500
Co 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: UNb2O7.
The XRD pattern shows main peaks at: 15.9°(0.16), 16.7°(0.29), 21.6°(0.07), 23.7°(0.28), 25.2°(0.31), 27.3°(1.0), 28.7°(0.25), 32.2°(0.09), 34.5°(0.5), 36.4°(0.15), 37.5°(0.18), 37.9°(0.08), 42.6°(0.1), 47.4°(0.22), 48.3°(0.17), 53.0°(0.26), 54.6°(0.07), 55.8°(0.13), 56.3°(0.08), 62.1°(... | JVASP-154885 | 10.77 10.77 6.53
90 90 159
U 0.856 0.144 0.750
U 0.144 0.856 0.250
Nb 0.336 0.664 0.250
Nb 0.024 0.976 0.750
Nb 0.976 0.024 0.250
Nb 0.664 0.336 0.750
O 0.550 0.450 0.750
O 0.450 0.550 0.250
O 0.136 0.864 0.750
O 0.864 0.136 0.250
O 0.948 0.052 0.565
O 0.948 0.052 0.935
O 0.052 0.948 0.435
O 0.751 0.249 0.750
O 0.249 0... |
Below is a description of a material. | The chemical formula is: Li5Co3O8.
The XRD pattern shows main peaks at: 11.9°(0.22), 14.4°(0.14), 18.5°(0.11), 19.0°(1.0), 23.8°(0.06), 27.6°(0.07), 33.0°(0.05), 37.2°(0.24), 39.1°(0.05), 44.9°(0.57), 45.7°(0.27), 49.7°(0.07), 59.2°(0.09), 64.7°(0.07), 66.0°(0.25), 84.0°(0.06).
Generate atomic structure description wit... | JVASP-146765 | 2.83 6.30 7.60
89 100 102
Li 0.239 0.358 0.620
Li 0.255 0.879 0.131
Li 0.745 0.121 0.869
Li 0.761 0.642 0.380
Li 0.500 -0.000 0.500
Co 0.001 0.244 0.257
Co -0.001 0.756 0.743
Co 0.500 0.500 0.000
O 0.614 0.313 0.415
O 0.606 0.791 0.920
O 0.120 0.044 0.696
O 0.107 0.544 0.170
O 0.893 0.456 0.830
O 0.880 0.956 0.304
O 0.... |
Below is a description of a material. | The chemical formula is: Ge.
The XRD pattern shows main peaks at: 26.8°(1.0), 44.5°(0.76), 52.7°(0.45), 64.8°(0.11), 71.4°(0.18), 82.0°(0.24).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-890 | 4.07 4.07 4.07
60 60 60
Ge 0.875 0.875 0.875
Ge 0.125 0.125 0.125 |
Below is a description of a material. | The chemical formula is: BaSbI2.
The XRD pattern shows main peaks at: 12.5°(0.06), 26.7°(1.0), 30.5°(0.59), 32.6°(0.48), 34.3°(0.25), 41.6°(0.14), 47.1°(0.06), 48.1°(0.32), 52.5°(0.24), 55.0°(0.13), 57.0°(0.11), 59.1°(0.17), 67.2°(0.06), 70.3°(0.05), 74.9°(0.08), 80.6°(0.08), 81.6°(0.07).
Generate atomic structure desc... | JVASP-114049 | 4.34 5.23 7.09
90 90 90
Ba 0.500 0.500 0.740
Sb 0.000 0.000 0.550
I 0.000 0.000 0.959
I 0.500 0.500 0.252 |
Below is a description of a material. | The chemical formula is: Er2US3O2.
The XRD pattern shows main peaks at: 8.5°(0.28), 17.0°(0.15), 25.6°(0.31), 26.9°(1.0), 32.0°(0.25), 33.6°(0.57), 38.5°(0.28), 42.7°(0.41), 43.3°(0.07), 45.9°(0.11), 48.2°(0.27), 55.4°(0.14), 56.0°(0.32), 70.5°(0.08).
Generate atomic structure description with lattice lengths, angles, ... | JVASP-110260 | 10.78 10.78 10.78
159 159 28
Er 0.498 0.498 -0.000
Er 0.812 0.812 -0.000
U 0.189 0.189 0.000
S 0.628 0.628 0.000
S 0.370 0.370 0.000
S 0.005 0.005 -0.000
O 0.749 0.249 0.500
O 0.249 0.749 0.500 |
Below is a description of a material. | The chemical formula is: Sm2Tl.
The XRD pattern shows main peaks at: 26.3°(0.08), 32.7°(1.0), 42.4°(0.13), 46.8°(0.27), 54.2°(0.07), 58.3°(0.38), 64.7°(0.26), 68.5°(0.11), 77.9°(0.13), 83.7°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-14655 | 5.48 5.48 6.77
90 90 120
Sm 0.000 0.000 0.000
Sm 0.000 0.000 0.500
Sm 0.667 0.333 0.250
Sm 0.333 0.667 0.750
Tl 0.667 0.333 0.750
Tl 0.333 0.667 0.250 |
Below is a description of a material. | The chemical formula is: KFeS2.
The XRD pattern shows main peaks at: 16.1°(1.0), 28.0°(0.42), 28.6°(0.29), 31.7°(0.43), 32.6°(0.07), 36.9°(0.14), 37.8°(0.08), 42.8°(0.25), 43.5°(0.07), 46.4°(0.07), 49.8°(0.16), 54.7°(0.13), 56.1°(0.09), 56.6°(0.08), 57.9°(0.07), 60.7°(0.13).
Generate atomic structure description with l... | JVASP-15271 | 5.15 6.50 6.50
116 101 101
K 0.750 0.642 0.358
K 0.250 0.358 0.642
Fe 0.250 -0.000 0.000
Fe 0.750 0.000 -0.000
S 0.401 0.917 0.698
S 0.099 0.302 0.083
S 0.901 0.698 0.917
S 0.599 0.083 0.302 |
Below is a description of a material. | The chemical formula is: VBr3.
The XRD pattern shows main peaks at: 9.3°(0.21), 28.1°(0.29), 29.5°(0.29), 32.1°(0.51), 33.7°(1.0), 40.0°(0.21), 43.2°(0.18), 46.5°(0.18), 47.6°(0.23), 55.2°(0.09), 56.1°(0.1), 57.6°(0.17), 58.3°(0.21), 65.3°(0.11), 67.2°(0.05), 85.6°(0.06).
Generate atomic structure description with latt... | JVASP-125261 | 3.40 3.40 9.54
89 89 109
V 0.250 0.250 0.125
Br 0.250 0.250 0.625
Br 0.750 0.750 0.300
Br 0.750 0.750 0.950 |
Below is a description of a material. | The chemical formula is: MnH4Br2O2.
The XRD pattern shows main peaks at: 15.4°(0.41), 20.2°(1.0), 23.3°(0.12), 29.3°(0.32), 30.6°(0.66), 31.0°(0.65), 35.4°(0.44), 37.0°(0.4), 41.1°(0.74), 47.3°(0.14), 47.7°(0.19), 48.3°(0.15), 52.2°(0.31), 55.4°(0.21), 63.8°(0.06), 64.8°(0.14).
Generate atomic structure description wit... | JVASP-3750 | 3.88 5.84 5.84
97 95 95
Mn -0.000 -0.000 -0.000
H 0.845 0.226 0.613
H 0.155 0.387 0.774
H 0.845 0.613 0.226
H 0.155 0.774 0.387
Br 0.445 0.751 0.750
Br 0.555 0.249 0.250
O 0.000 0.760 0.240
O 1.000 0.240 0.760 |
Below is a description of a material. | The chemical formula is: Y3Mg2MnS8.
The XRD pattern shows main peaks at: 14.0°(0.53), 27.0°(0.55), 32.8°(1.0), 35.9°(0.11), 43.0°(0.18), 46.7°(0.49), 47.4°(0.47), 58.2°(0.16), 59.4°(0.05), 68.7°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-119862 | 7.78 7.68 7.78
59 60 59
Y 0.500 0.500 0.500
Y 0.500 0.500 0.000
Y -0.000 0.500 0.500
Mg 0.875 0.874 0.875
Mg 0.125 0.126 0.125
Mn 0.500 0.000 0.500
S 0.733 0.766 0.733
S 0.267 0.234 0.732
S 0.254 0.738 0.254
S 0.731 0.234 0.267
S 0.746 0.262 0.746
S 0.269 0.766 0.733
S 0.267 0.234 0.267
S 0.733 0.766 0.268 |
Below is a description of a material. | The chemical formula is: Yb4Sb3.
The XRD pattern shows main peaks at: 30.2°(1.0), 35.9°(0.76), 47.6°(0.21), 49.7°(0.19), 61.0°(0.12), 62.8°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-20136 | 8.11 8.11 8.11
109 109 109
Yb 0.349 0.500 -0.000
Yb 0.651 0.651 0.651
Yb 0.500 0.000 0.349
Yb 0.000 0.349 0.500
Yb 0.500 0.000 0.849
Yb 0.000 0.849 0.500
Yb 0.849 0.500 -0.000
Yb 0.151 0.151 0.151
Sb 0.750 0.875 0.125
Sb 0.625 0.375 0.250
Sb 0.875 0.125 0.750
Sb 0.125 0.750 0.875
Sb 0.375 0.250 0.625
Sb 0.250 0.625 0.3... |
Below is a description of a material. | The chemical formula is: LiLuO2.
The XRD pattern shows main peaks at: 22.3°(1.0), 34.3°(0.51), 36.3°(0.21), 41.5°(0.3), 47.6°(0.27), 50.6°(0.12), 54.8°(0.13), 56.3°(0.22), 60.1°(0.09), 64.0°(0.1), 65.0°(0.05), 67.5°(0.11), 71.1°(0.13), 72.3°(0.1).
Generate atomic structure description with lattice lengths, angles, coor... | JVASP-169606 | 5.83 6.15 5.83
90 116 90
Li 0.250 0.875 0.500
Li 0.750 0.375 0.000
Li 0.250 0.625 -0.000
Li 0.750 0.125 0.500
Lu 0.250 0.125 0.000
Lu 0.250 0.375 0.500
Lu 0.750 0.625 0.500
Lu 0.750 0.875 -0.000
O -0.024 0.875 0.774
O -0.024 0.625 0.274
O 0.476 0.125 0.774
O 0.524 0.625 0.726
O 0.476 0.375 0.274
O 0.524 0.875 0.226
O 0... |
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