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: TlS.
The XRD pattern shows main peaks at: 24.7°(0.61), 35.2°(1.0), 43.5°(0.19), 50.6°(0.16), 57.1°(0.26), 63.2°(0.36), 74.4°(0.11), 79.8°(0.13), 85.1°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-16279 | 3.61 3.61 3.61
90 90 90
Tl 0.500 0.500 0.500
S 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Al3Sn.
The XRD pattern shows main peaks at: 20.6°(0.64), 29.3°(0.52), 36.0°(1.0), 41.8°(0.47), 47.1°(0.31), 51.9°(0.24), 60.7°(0.33), 64.8°(0.16), 68.8°(0.1), 72.6°(0.4), 76.4°(0.12), 80.1°(0.07), 83.8°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and a... | JVASP-102451 | 4.32 4.32 4.32
90 90 90
Al 0.000 0.500 0.500
Al 0.500 0.000 0.500
Al 0.500 0.500 0.000
Sn 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Ba2Y2Mn4O11.
The XRD pattern shows main peaks at: 23.2°(0.08), 32.4°(1.0), 33.0°(0.61), 40.2°(0.25), 45.4°(0.2), 47.2°(0.19), 57.3°(0.22), 58.6°(0.31), 67.6°(0.11), 69.2°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-168850 | 3.85 7.99 8.63
117 90 90
Ba 0.500 0.500 0.500
Ba 0.500 -0.000 0.500
Y 0.500 0.228 0.000
Y 0.500 0.772 -0.000
Mn -0.000 0.385 0.770
Mn 0.000 0.615 0.230
Mn 0.000 0.123 0.246
Mn -0.000 0.877 0.754
O 0.500 0.410 0.821
O 0.500 0.590 0.179
O 0.500 0.112 0.224
O 0.500 0.888 0.776
O 0.000 0.249 0.498
O -0.000 0.751 0.502
O 0.... |
Below is a description of a material. | The chemical formula is: NaBiCl2.
The XRD pattern shows main peaks at: 14.4°(0.92), 20.8°(0.82), 25.4°(0.76), 29.1°(0.49), 29.6°(1.0), 33.1°(0.49), 36.0°(0.43), 42.0°(0.69), 42.3°(0.35), 45.0°(0.21), 47.6°(0.19), 49.3°(0.13), 50.0°(0.28), 52.2°(0.39), 54.1°(0.14), 56.8°(0.23), 68.5°(0.17), 69.4°(0.17), 76.4°(0.13), 77.... | JVASP-136004 | 4.27 4.27 6.15
90 90 90
Na 0.500 0.500 0.503
Bi 0.000 0.000 0.003
Cl 0.000 0.000 0.503
Cl 0.500 0.500 0.002 |
Below is a description of a material. | The chemical formula is: K2Ga3.
The XRD pattern shows main peaks at: 12.2°(0.67), 15.6°(0.76), 24.5°(0.1), 29.0°(0.59), 32.1°(1.0), 33.1°(0.07), 37.0°(0.08), 37.6°(0.66), 43.4°(0.41), 44.6°(0.27), 48.7°(0.31), 50.1°(0.15), 60.1°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and ... | JVASP-86079 | 6.16 6.16 8.48
111 111 90
K 0.390 0.390 0.781
K 0.250 0.750 0.500
K 0.610 0.610 0.219
K 0.750 0.250 0.500
Ga 0.000 0.295 -0.000
Ga 0.143 0.143 0.286
Ga 0.295 0.000 -0.000
Ga -0.000 0.705 0.000
Ga 0.857 0.857 0.714
Ga 0.705 -0.000 0.000 |
Below is a description of a material. | The chemical formula is: CeAl3Cu.
The XRD pattern shows main peaks at: 16.4°(0.06), 22.6°(0.57), 30.0°(0.11), 32.6°(0.56), 33.1°(0.16), 34.3°(1.0), 42.9°(0.4), 47.2°(0.25), 54.9°(0.28), 59.9°(0.17), 62.3°(0.12), 73.1°(0.21).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-109772 | 6.18 6.18 6.18
140 140 57
Ce 0.000 0.000 0.000
Al 0.617 0.617 -0.000
Al 0.383 0.383 -0.000
Al 0.750 0.250 0.500
Cu 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: Sr5Sn3.
The XRD pattern shows main peaks at: 10.9°(0.12), 18.3°(0.2), 26.4°(0.09), 28.6°(1.0), 29.6°(0.17), 30.3°(0.48), 33.1°(0.52), 36.2°(0.23), 38.4°(0.14), 40.0°(0.09), 44.0°(0.09), 44.5°(0.11), 46.9°(0.11), 47.5°(0.13), 50.6°(0.11), 54.7°(0.09), 59.7°(0.16), 60.8°(0.09).
Generate atomic st... | JVASP-154230 | 10.14 10.14 10.14
130 130 73
Sr 0.000 0.000 0.000
Sr 0.500 0.500 0.000
Sr 0.033 0.533 0.852
Sr 0.681 0.181 0.148
Sr 0.181 0.033 0.500
Sr 0.533 0.681 0.500
Sr 0.467 0.319 0.500
Sr 0.819 0.967 0.500
Sr 0.319 0.819 0.852
Sr 0.967 0.467 0.148
Sn 0.750 0.750 0.000
Sn 0.250 0.250 0.000
Sn 0.378 0.878 0.257
Sn 0.622 0.122 0.7... |
Below is a description of a material. | The chemical formula is: CdH2C3O4.
The XRD pattern shows main peaks at: 13.8°(1.0), 21.7°(0.19), 24.5°(0.45), 27.3°(0.48), 28.7°(0.14), 29.6°(0.28), 33.6°(0.23), 34.4°(0.26), 35.7°(0.11), 36.1°(0.13), 37.4°(0.09), 38.3°(0.24), 38.8°(0.11), 43.7°(0.09), 45.1°(0.1), 46.4°(0.08), 48.0°(0.11), 49.0°(0.09), 50.2°(0.09), 50.... | JVASP-103956 | 3.74 4.19 6.48
83 85 79
Cd 0.501 0.546 0.508
H 0.882 0.760 0.959
H 0.319 0.742 0.032
C 0.129 0.137 0.804
C 0.900 0.048 0.199
C 0.068 0.916 -0.000
O 0.679 0.316 0.200
O 0.974 0.855 0.367
O 0.931 0.415 0.763
O 0.397 0.032 0.679 |
Below is a description of a material. | The chemical formula is: LuRh2.
The XRD pattern shows main peaks at: 34.1°(0.44), 40.2°(1.0), 42.0°(0.24), 61.0°(0.17), 65.1°(0.33), 71.7°(0.26).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-19949 | 5.26 5.26 5.26
60 60 59
Lu 0.125 0.125 0.125
Lu 0.875 0.875 0.875
Rh 0.500 0.000 0.500
Rh 0.000 0.500 0.500
Rh 0.500 0.500 0.500
Rh 0.500 0.500 -0.000 |
Below is a description of a material. | The chemical formula is: LiCo3OF5.
The XRD pattern shows main peaks at: 20.4°(0.35), 21.2°(0.11), 25.2°(0.29), 26.7°(1.0), 32.2°(0.54), 32.6°(0.58), 33.0°(0.61), 33.6°(0.24), 34.2°(0.2), 36.1°(0.15), 43.3°(0.1), 46.7°(0.32), 47.8°(0.28), 48.2°(0.2), 49.0°(0.21), 51.8°(0.09), 53.8°(0.08), 55.6°(0.22), 56.3°(0.18), 59.7°... | JVASP-42645 | 5.96 6.06 6.11
92 92 92
Li 0.507 0.500 0.494
Li 0.995 0.989 0.987
Co 0.277 0.100 0.561
Co 0.929 0.455 0.756
Co 0.410 0.728 0.910
Co 0.563 0.239 0.103
Co 0.068 0.578 0.236
Co 0.750 0.949 0.427
O 0.541 0.169 0.402
O 0.091 0.669 0.940
F 0.081 0.935 0.323
F 0.315 0.088 0.905
F 0.928 0.103 0.695
F 0.592 0.441 0.817
F 0.181 ... |
Below is a description of a material. | The chemical formula is: BaSrMo2O6.
The XRD pattern shows main peaks at: 31.4°(1.0), 45.0°(0.32), 55.9°(0.38), 65.5°(0.19), 74.4°(0.16), 83.0°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-100033 | 5.70 5.70 5.70
60 60 60
Ba 0.500 0.500 0.500
Sr 0.000 0.000 0.000
Mo 0.250 0.250 0.250
Mo 0.750 0.750 0.750
O 0.500 0.500 -0.000
O 0.000 0.000 0.500
O 0.500 0.000 0.500
O 0.000 0.500 -0.000
O 0.000 0.500 0.500
O 0.500 0.000 -0.000 |
Below is a description of a material. | The chemical formula is: CaFe2Si4O12.
The XRD pattern shows main peaks at: 14.2°(0.87), 20.6°(0.35), 25.0°(0.11), 30.5°(1.0), 31.4°(0.67), 35.9°(0.84), 36.9°(0.45), 41.6°(0.24), 43.5°(0.24), 44.0°(0.15), 45.3°(0.11), 47.9°(0.11), 54.1°(0.11), 57.0°(0.17), 58.4°(0.2), 61.6°(0.11), 62.5°(0.17), 68.0°(0.14), 68.4°(0.19), ... | JVASP-144105 | 6.41 6.41 5.24
77 77 84
Ca 0.301 0.699 0.500
Fe 0.083 0.917 -0.000
Fe 0.908 0.092 0.500
Si 0.798 0.609 0.485
Si 0.617 0.802 0.974
Si 0.198 0.383 0.026
Si 0.391 0.202 0.515
O 0.361 0.345 0.746
O 0.621 0.662 0.746
O 0.103 0.626 0.936
O 0.374 0.897 0.064
O 0.816 0.966 0.877
O 0.194 0.031 0.611
O 0.655 0.639 0.254
O 0.969 ... |
Below is a description of a material. | The chemical formula is: MnO.
The XRD pattern shows main peaks at: 35.3°(0.65), 41.0°(1.0), 59.3°(0.6), 70.9°(0.23), 74.6°(0.18), 88.8°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-78681 | 3.12 3.12 3.12
60 60 60
Mn 0.000 0.000 0.000
O 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Pm2HoLu.
The XRD pattern shows main peaks at: 31.9°(1.0), 45.7°(0.2), 56.8°(0.4), 66.6°(0.13), 75.7°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-157489 | 5.62 5.62 5.62
60 60 60
Pm 0.000 0.000 0.000
Pm 0.500 0.500 0.500
Ho 0.250 0.250 0.250
Lu 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: YSi2Ni.
The XRD pattern shows main peaks at: 10.8°(0.16), 21.6°(0.15), 31.3°(0.35), 32.2°(0.85), 35.4°(0.75), 35.8°(1.0), 40.0°(0.4), 42.2°(0.14), 45.3°(0.41), 45.6°(0.4), 50.0°(0.24), 55.3°(0.23), 56.1°(0.13), 59.0°(0.35), 62.0°(0.21), 66.3°(0.24), 69.8°(0.16), 74.5°(0.17), 77.4°(0.1), 77.9°(0... | JVASP-109331 | 8.45 8.45 3.98
90 90 152
Y 0.605 0.395 0.750
Y 0.395 0.605 0.250
Si 0.960 0.040 0.750
Si 0.040 0.960 0.250
Si 0.250 0.750 0.750
Si 0.750 0.250 0.250
Ni 0.822 0.178 0.750
Ni 0.178 0.822 0.250 |
Below is a description of a material. | The chemical formula is: BeSi2Os.
The XRD pattern shows main peaks at: 17.8°(1.0), 28.5°(0.83), 33.7°(0.87), 36.0°(0.25), 40.7°(0.67), 44.7°(0.43), 46.5°(0.93), 55.4°(0.3), 58.9°(0.23), 62.0°(0.16), 63.3°(0.14), 66.7°(0.16), 69.6°(0.24), 70.9°(0.17), 76.3°(0.05), 78.2°(0.37), 83.3°(0.09), 85.0°(0.07), 88.1°(0.08).
Gene... | JVASP-67652 | 3.14 3.14 4.99
90 90 90
Be 0.000 0.000 0.478
Si 0.000 0.000 0.005
Si 0.500 0.500 0.265
Os 0.500 0.500 0.753 |
Below is a description of a material. | The chemical formula is: SmAlAg2.
The XRD pattern shows main peaks at: 22.3°(0.23), 36.7°(1.0), 43.4°(0.13), 53.0°(0.17), 58.1°(0.05), 66.2°(0.38), 78.2°(0.11), 89.6°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-42021 | 4.89 4.89 4.89
60 60 60
Sm 0.750 0.750 0.750
Al 0.250 0.250 0.250
Ag 0.000 0.000 0.000
Ag 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: AlBiBr.
The XRD pattern shows main peaks at: 18.7°(0.94), 27.0°(0.54), 32.7°(1.0), 33.1°(0.46), 37.9°(0.16), 42.9°(0.94), 47.2°(0.19), 55.7°(0.07), 58.6°(0.22), 59.3°(0.1), 65.5°(0.26), 66.1°(0.27), 68.5°(0.11), 75.1°(0.18), 85.0°(0.12).
Generate atomic structure description with lattice length... | JVASP-138780 | 5.48 5.48 3.30
90 90 120
Al 0.000 0.000 0.000
Bi 0.333 0.667 0.000
Br 0.667 0.333 0.000 |
Below is a description of a material. | The chemical formula is: SnGe2O6.
The XRD pattern shows main peaks at: 13.5°(0.34), 18.9°(0.55), 19.4°(0.41), 23.8°(0.41), 28.5°(1.0), 29.9°(0.83), 33.8°(0.62), 35.2°(0.46), 36.8°(0.12), 37.7°(0.18), 39.4°(0.1), 41.9°(0.13), 44.9°(0.18), 46.3°(0.15), 52.9°(0.58), 54.7°(0.2), 58.3°(0.19), 63.3°(0.12), 65.1°(0.19), 67.2°... | JVASP-10316 | 5.61 6.79 6.79
84 75 75
Sn 0.750 0.897 0.103
Sn 0.250 0.103 0.897
Ge 0.736 0.392 0.217
Ge 0.764 0.783 0.608
Ge 0.264 0.608 0.783
Ge 0.236 0.217 0.392
O 0.639 0.957 0.816
O 0.861 0.184 0.043
O 0.679 0.624 0.080
O 0.821 0.920 0.376
O 0.321 0.376 0.920
O 0.528 0.655 0.601
O -0.028 0.399 0.345
O 0.139 0.816 0.957
O 0.028 0... |
Below is a description of a material. | The chemical formula is: Be2Re.
The XRD pattern shows main peaks at: 23.4°(0.92), 24.9°(0.56), 26.6°(0.58), 34.5°(0.35), 41.2°(0.92), 44.9°(1.0), 47.9°(0.16), 48.7°(0.67), 49.7°(0.15), 54.7°(0.06), 62.5°(0.3), 65.0°(0.11), 70.4°(0.24), 75.0°(0.17), 77.6°(0.36), 80.5°(0.16), 84.9°(0.18), 89.4°(0.12).
Generate atomic str... | JVASP-21676 | 4.39 4.39 7.15
90 90 120
Be 0.000 0.000 0.000
Be 0.000 0.000 0.500
Be 0.831 0.169 0.750
Be 0.169 0.337 0.250
Be 0.663 0.831 0.250
Be 0.337 0.169 0.750
Be 0.831 0.663 0.750
Be 0.169 0.831 0.250
Re 0.333 0.667 0.939
Re 0.667 0.333 0.439
Re 0.667 0.333 0.061
Re 0.333 0.667 0.561 |
Below is a description of a material. | The chemical formula is: Dy5Si3.
The XRD pattern shows main peaks at: 21.1°(0.06), 24.4°(0.19), 25.4°(0.26), 30.7°(0.29), 32.4°(0.29), 35.4°(1.0), 36.9°(0.22), 52.1°(0.16), 53.7°(0.09), 54.7°(0.15), 56.8°(0.1), 57.8°(0.12), 58.3°(0.21), 68.2°(0.07), 71.0°(0.08), 86.6°(0.08).
Generate atomic structure description with l... | JVASP-20810 | 8.44 8.44 6.34
90 90 120
Dy 0.000 0.757 0.750
Dy -0.000 0.243 0.250
Dy 0.757 0.757 0.250
Dy 0.757 0.000 0.750
Dy 0.243 0.243 0.750
Dy 0.243 -0.000 0.250
Dy 0.667 0.333 0.000
Dy 0.333 0.667 0.500
Dy 0.333 0.667 0.000
Dy 0.667 0.333 0.500
Si 0.394 -0.000 0.750
Si 0.394 0.394 0.250
Si 0.000 0.606 0.250
Si -0.000 0.394 0.7... |
Below is a description of a material. | The chemical formula is: Nb5Ge3B.
The XRD pattern shows main peaks at: 33.3°(0.14), 35.2°(0.32), 35.9°(0.15), 39.1°(1.0), 40.1°(0.41), 40.7°(0.67), 51.7°(0.1), 58.5°(0.16), 62.5°(0.08), 63.4°(0.24), 65.3°(0.13), 69.9°(0.09), 79.5°(0.13), 83.8°(0.08).
Generate atomic structure description with lattice lengths, angles, c... | JVASP-63846 | 7.79 7.79 5.38
90 90 120
Nb 0.333 0.667 0.000
Nb 0.244 0.244 0.750
Nb 0.756 -0.000 0.750
Nb 0.756 0.756 0.250
Nb 0.000 0.244 0.250
Nb -0.000 0.756 0.750
Nb 0.333 0.667 0.500
Nb 0.667 0.333 0.000
Nb 0.667 0.333 0.500
Nb 0.244 0.000 0.250
Ge 0.600 0.000 0.250
Ge 0.000 0.600 0.250
Ge 0.400 0.400 0.250
Ge 0.400 -0.000 0.75... |
Below is a description of a material. | The chemical formula is: Ho2In.
The XRD pattern shows main peaks at: 33.3°(0.98), 33.6°(1.0), 43.6°(0.07), 48.0°(0.34), 55.4°(0.08), 59.9°(0.38), 66.4°(0.29), 70.7°(0.12), 80.4°(0.16), 86.3°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-17795 | 5.33 5.33 6.63
90 90 120
Ho 0.333 0.667 0.250
Ho 0.667 0.333 0.750
Ho 0.000 0.000 0.500
Ho 0.000 0.000 0.000
In 0.667 0.333 0.250
In 0.333 0.667 0.750 |
Below is a description of a material. | The chemical formula is: TbCo5.
The XRD pattern shows main peaks at: 22.6°(0.07), 31.0°(0.52), 36.7°(0.32), 42.6°(0.36), 43.5°(1.0), 46.1°(0.26), 60.3°(0.15), 62.5°(0.14), 64.6°(0.18), 70.8°(0.2), 78.0°(0.15), 83.5°(0.13), 84.3°(0.06), 86.2°(0.06).
Generate atomic structure description with lattice lengths, angles, coo... | JVASP-19620 | 4.90 4.90 3.94
90 90 120
Tb 0.000 0.000 0.000
Co 0.500 0.500 0.500
Co 0.667 0.333 0.000
Co 0.333 0.667 0.000
Co 0.500 -0.000 0.500
Co -0.000 0.500 0.500 |
Below is a description of a material. | The chemical formula is: HfTa.
The XRD pattern shows main peaks at: 34.3°(0.21), 35.3°(0.28), 38.7°(1.0), 50.0°(0.16), 61.3°(0.17), 65.6°(0.22), 72.8°(0.21), 74.9°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-123768 | 3.02 3.02 5.09
90 90 119
Hf 0.333 0.667 0.750
Ta 0.667 0.333 0.250 |
Below is a description of a material. | The chemical formula is: AlRh.
The XRD pattern shows main peaks at: 29.8°(0.5), 42.6°(1.0), 52.9°(0.13), 61.9°(0.17), 70.2°(0.16), 78.1°(0.31).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-190907 | 3.00 3.00 3.00
90 90 90
Rh 0.500 0.500 0.500
Al 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: MnTlCuSe2.
The XRD pattern shows main peaks at: 22.9°(0.15), 25.4°(0.1), 29.2°(1.0), 31.3°(0.2), 33.9°(0.54), 39.1°(0.26), 44.9°(0.33), 50.5°(0.33), 52.2°(0.09), 54.5°(0.36), 65.4°(0.1), 71.3°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-177501 | 4.04 4.04 7.57
74 74 90
Mn 0.250 0.750 0.500
Tl -0.000 0.000 0.000
Cu 0.750 0.250 0.500
Se 0.360 0.360 0.280
Se 0.640 0.640 0.720 |
Below is a description of a material. | The chemical formula is: Li2MnBr4.
The XRD pattern shows main peaks at: 18.2°(0.19), 28.3°(1.0), 32.8°(0.83), 47.1°(0.65), 55.8°(0.3), 58.6°(0.28), 68.7°(0.08), 78.2°(0.2).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-109815 | 6.67 6.67 6.67
131 131 70
Li 0.750 0.250 0.500
Li 0.250 0.750 0.500
Mn 0.500 0.500 0.000
Br 0.259 0.259 -0.000
Br 0.741 0.741 0.000
Br 0.000 0.500 0.500
Br 0.500 -0.000 0.500 |
Below is a description of a material. | The chemical formula is: FeSn7.
The XRD pattern shows main peaks at: 23.9°(1.0), 31.0°(0.05), 34.0°(0.05), 39.5°(0.8), 46.7°(0.48), 57.1°(0.13), 62.8°(0.18), 71.6°(0.25), 76.7°(0.13), 85.0°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-122563 | 6.45 6.45 6.45
90 90 90
Fe 0.000 0.000 0.500
Sn 0.231 0.231 0.731
Sn 0.000 0.500 0.000
Sn 0.231 0.769 0.269
Sn 0.500 0.000 0.000
Sn 0.769 0.231 0.269
Sn 0.500 0.500 0.500
Sn 0.769 0.769 0.731 |
Below is a description of a material. | The chemical formula is: CdS.
The XRD pattern shows main peaks at: 21.9°(1.0), 24.2°(0.48), 32.8°(0.44), 34.5°(0.63), 41.2°(0.78), 44.6°(0.15), 49.6°(0.2), 51.3°(0.11), 54.8°(0.31), 55.9°(0.1), 57.5°(0.26), 60.7°(0.15), 68.8°(0.15), 72.7°(0.07), 74.1°(0.08), 77.0°(0.11), 79.8°(0.1), 83.0°(0.1), 87.1°(0.16), 89.4°(0.08)... | JVASP-138548 | 3.68 3.68 4.07
90 90 90
Cd 0.000 0.000 0.000
S 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: LiLu2Ir.
The XRD pattern shows main peaks at: 22.8°(0.29), 26.4°(0.11), 37.7°(1.0), 44.5°(0.15), 54.3°(0.18), 59.7°(0.06), 68.0°(0.38), 80.4°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-41805 | 4.78 4.78 4.78
60 60 60
Li 0.750 0.750 0.750
Lu 0.000 0.000 0.000
Lu 0.500 0.500 0.500
Ir 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: TiSiO4.
The XRD pattern shows main peaks at: 20.0°(0.59), 22.3°(0.27), 24.6°(0.62), 26.6°(0.35), 33.4°(0.38), 35.2°(1.0), 37.8°(0.37), 44.6°(0.32), 45.6°(0.16), 49.6°(0.07), 50.5°(0.24), 54.8°(0.17), 59.5°(0.16), 60.9°(0.2), 62.7°(0.08), 65.7°(0.43), 68.5°(0.09), 70.2°(0.11), 72.7°(0.12).
Gener... | JVASP-152089 | 4.80 4.80 6.22
90 90 112
Ti 0.000 0.000 0.000
Ti 0.000 0.000 0.500
Si 0.351 0.649 0.750
Si 0.649 0.351 0.250
O 0.233 0.767 0.962
O 0.767 0.233 0.462
O 0.233 0.767 0.538
O 0.767 0.233 0.038
O 0.727 0.778 0.750
O 0.273 0.222 0.250
O 0.222 0.273 0.750
O 0.778 0.727 0.250 |
Below is a description of a material. | The chemical formula is: BaBiSb.
The XRD pattern shows main peaks at: 19.3°(0.23), 22.3°(0.2), 31.7°(1.0), 37.3°(0.13), 39.1°(0.07), 45.4°(0.18), 49.8°(0.06), 51.2°(0.09), 56.5°(0.35), 60.2°(0.05), 66.2°(0.12), 75.3°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-66207 | 5.65 5.65 5.65
60 60 60
Ba 0.750 0.750 0.750
Bi 0.000 0.000 0.000
Sb 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: H3C6S2NO.
The XRD pattern shows main peaks at: 16.8°(0.39), 17.6°(0.09), 23.9°(0.28), 24.8°(0.07), 25.5°(0.14), 27.1°(0.13), 28.3°(1.0), 30.4°(0.09), 34.1°(0.11), 34.6°(0.1), 35.7°(0.08), 37.6°(0.12), 43.4°(0.06), 48.4°(0.06), 58.6°(0.07).
Generate atomic structure description with lattice leng... | JVASP-112036 | 3.73 5.55 7.52
72 89 85
H 0.766 0.821 0.675
H 0.783 0.823 0.331
H 0.257 0.217 0.006
C 0.892 0.669 0.629
C 0.902 0.668 0.443
C 0.077 0.451 0.417
C 0.063 0.449 0.749
C 0.001 0.513 0.061
C 0.152 0.367 0.255
S 0.744 0.781 0.011
S 0.235 0.242 0.630
N 0.109 0.383 0.939
O 0.346 0.168 0.269 |
Below is a description of a material. | The chemical formula is: Ba4CoSe.
The XRD pattern shows main peaks at: 15.9°(0.33), 26.1°(0.12), 30.7°(1.0), 32.1°(0.62), 37.2°(0.17), 40.7°(0.09), 46.0°(0.05), 48.9°(0.33), 53.6°(0.36), 56.3°(0.08), 63.0°(0.12), 63.9°(0.24), 75.5°(0.22), 79.3°(0.05), 87.3°(0.07), 88.1°(0.05).
Generate atomic structure description with... | JVASP-64614 | 6.84 6.84 6.84
60 60 60
Ba 0.125 0.625 0.625
Ba 0.625 0.625 0.625
Ba 0.625 0.125 0.625
Ba 0.625 0.625 0.125
Co 0.250 0.250 0.250
Se 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Cr3C.
The XRD pattern shows main peaks at: 37.2°(0.11), 37.9°(0.29), 40.0°(0.25), 42.4°(0.4), 43.7°(0.39), 44.3°(0.48), 45.8°(1.0), 48.9°(0.38), 49.2°(0.24), 52.1°(0.21), 54.6°(0.11), 55.6°(0.07), 56.9°(0.17), 71.1°(0.16), 76.2°(0.11), 79.1°(0.11), 82.7°(0.2), 85.3°(0.13), 87.0°(0.09), 87.5°(0.... | JVASP-137243 | 4.52 5.20 6.61
90 90 90
Cr 0.341 0.676 0.058
Cr 0.159 0.176 0.442
Cr 0.659 0.324 0.558
Cr 0.841 0.824 0.942
Cr 0.659 0.324 0.942
Cr 0.841 0.824 0.558
Cr 0.341 0.676 0.442
Cr 0.159 0.176 0.058
Cr 0.844 0.526 0.250
Cr 0.656 0.026 0.250
Cr 0.156 0.474 0.750
Cr 0.344 0.974 0.750
C 0.067 0.873 0.250
C 0.433 0.373 0.250
C 0.... |
Below is a description of a material. | The chemical formula is: Be2H.
The XRD pattern shows main peaks at: 22.3°(0.82), 37.7°(1.0), 50.1°(0.94), 51.7°(0.63), 57.0°(0.18), 70.0°(0.21), 70.9°(0.12), 76.1°(0.2), 80.5°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-134055 | 2.50 2.50 4.36
106 106 89
Be 0.116 0.853 0.634
Be 0.462 0.200 0.326
H 0.291 0.022 0.980 |
Below is a description of a material. | The chemical formula is: KBaTl2.
The XRD pattern shows main peaks at: 10.4°(0.08), 21.1°(0.16), 29.8°(1.0), 36.8°(0.08), 42.4°(0.08), 42.9°(0.17), 48.2°(0.07), 53.1°(0.36), 61.9°(0.11), 70.6°(0.14), 78.3°(0.06), 86.3°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-69033 | 4.22 4.22 8.52
90 90 90
K 0.500 0.500 0.500
Ba 0.500 0.500 0.000
Tl 0.000 0.000 0.756
Tl 0.000 0.000 0.244 |
Below is a description of a material. | The chemical formula is: Li2Mn3FeO8.
The XRD pattern shows main peaks at: 19.0°(1.0), 36.8°(0.44), 38.4°(0.09), 44.8°(0.59), 48.9°(0.07), 59.3°(0.16), 65.0°(0.18), 65.3°(0.18), 68.4°(0.08), 82.3°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-44667 | 5.71 5.71 5.71
60 60 60
Li 0.124 0.124 0.124
Li 0.876 0.876 0.876
Mn 0.500 0.500 -0.000
Mn 0.500 0.000 0.500
Mn 0.000 0.500 0.500
Fe 0.500 0.500 0.500
O 0.261 0.261 0.261
O 0.712 0.262 0.262
O 0.262 0.712 0.262
O 0.262 0.262 0.712
O 0.738 0.738 0.288
O 0.738 0.288 0.738
O 0.288 0.738 0.738
O 0.739 0.739 0.739 |
Below is a description of a material. | The chemical formula is: KAgO.
The XRD pattern shows main peaks at: 12.7°(0.06), 18.0°(0.07), 18.6°(0.8), 28.6°(0.17), 31.8°(1.0), 32.9°(0.37), 36.4°(0.08), 38.7°(0.37), 44.1°(0.1), 49.1°(0.21), 49.9°(0.06), 51.7°(0.31), 55.9°(0.09), 58.0°(0.17), 65.8°(0.17), 66.4°(0.11), 68.9°(0.07).
Generate atomic structure descript... | JVASP-9380 | 5.45 7.49 7.49
82 68 68
K 0.500 0.320 0.680
K 0.500 0.680 0.320
K 0.180 0.320 0.320
K 0.820 0.680 0.680
Ag 0.850 0.000 0.300
Ag 0.850 0.300 0.000
Ag 0.150 0.000 0.700
Ag 0.150 0.700 0.000
O 0.704 0.296 0.296
O 0.000 0.296 0.704
O -0.000 0.704 0.296
O 0.296 0.704 0.704 |
Below is a description of a material. | The chemical formula is: LiCa2TeO6.
The XRD pattern shows main peaks at: 19.3°(1.0), 20.1°(0.48), 22.4°(0.21), 23.0°(0.07), 31.3°(0.24), 32.0°(0.48), 32.7°(0.58), 37.2°(0.21), 37.8°(0.27), 38.4°(0.16), 39.1°(0.15), 45.8°(0.33), 47.1°(0.18), 50.2°(0.1), 51.9°(0.09), 56.2°(0.08), 57.6°(0.17), 58.6°(0.13), 67.0°(0.08), 71... | JVASP-147191 | 5.72 5.50 9.36
55 90 90
Li 0.500 0.500 0.000
Li 0.000 0.500 0.500
Ca 0.061 0.727 0.755
Ca 0.939 0.273 0.245
Ca 0.561 0.273 0.745
Ca 0.439 0.727 0.255
Te 0.500 -0.000 0.500
Te 0.000 0.000 0.000
O 0.221 0.242 0.443
O 0.779 0.758 0.557
O 0.036 0.863 0.241
O 0.964 0.137 0.759
O 0.536 0.137 0.259
O 0.690 0.332 0.453
O 0.190... |
Below is a description of a material. | The chemical formula is: Er3InC.
The XRD pattern shows main peaks at: 16.1°(0.96), 28.1°(0.7), 32.6°(1.0), 36.6°(0.55), 46.8°(0.72), 49.8°(0.29), 55.5°(0.35), 58.2°(0.25), 60.8°(0.13), 68.3°(0.12), 70.7°(0.16), 75.4°(0.13), 77.8°(0.3), 80.1°(0.11), 86.9°(0.25), 89.1°(0.05).
Generate atomic structure description with la... | JVASP-15953 | 5.49 5.49 5.49
90 90 90
Er 0.000 0.500 0.500
Er 0.500 0.000 0.500
Er 0.500 0.500 0.000
In 0.500 0.500 0.500
C 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: IrPt.
The XRD pattern shows main peaks at: 39.6°(1.0), 40.0°(0.36), 46.2°(0.71), 67.2°(0.22), 67.7°(0.22), 81.1°(0.29), 81.6°(0.14), 85.4°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-110578 | 4.79 4.79 4.79
33 33 33
Ir 0.000 0.000 0.000
Pt 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: BaHo2PdO5.
The XRD pattern shows main peaks at: 15.1°(0.09), 24.5°(0.07), 30.4°(0.45), 31.4°(1.0), 34.3°(0.54), 39.1°(0.22), 43.7°(0.43), 46.7°(0.09), 50.3°(0.21), 54.6°(0.22), 56.5°(0.14), 58.8°(0.12), 60.6°(0.14), 62.4°(0.09), 63.2°(0.08), 63.8°(0.08), 67.2°(0.12), 72.3°(0.11), 76.9°(0.06), 7... | JVASP-10567 | 6.52 6.52 5.89
90 90 90
Ba 0.500 0.500 0.000
Ba 0.000 0.000 0.000
Ho 0.827 0.673 0.500
Ho 0.673 0.173 0.500
Ho 0.327 0.827 0.500
Ho 0.173 0.327 0.500
Pd 0.000 0.500 0.000
Pd 0.500 0.000 0.000
O 0.641 0.859 0.739
O 0.141 0.641 0.739
O 0.641 0.859 0.261
O 0.359 0.141 0.261
O 0.500 0.500 0.500
O 0.141 0.641 0.261
O 0.000 ... |
Below is a description of a material. | The chemical formula is: CdHg3Te4.
The XRD pattern shows main peaks at: 23.3°(1.0), 38.5°(0.78), 45.5°(0.51), 55.6°(0.14), 61.1°(0.21), 69.7°(0.28), 74.6°(0.16), 82.6°(0.08), 87.3°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-99732 | 6.61 6.61 6.61
90 90 90
Cd 0.000 0.000 0.000
Hg 0.000 0.500 0.500
Hg 0.500 0.000 0.500
Hg 0.500 0.500 0.000
Te 0.249 0.249 0.249
Te 0.751 0.751 0.249
Te 0.249 0.751 0.751
Te 0.751 0.249 0.751 |
Below is a description of a material. | The chemical formula is: Na2CdSnS4.
The XRD pattern shows main peaks at: 16.2°(0.67), 26.1°(1.0), 27.6°(0.1), 29.6°(0.1), 32.1°(0.1), 39.4°(0.25), 45.2°(0.34), 47.9°(0.32), 56.9°(0.08), 57.6°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-169275 | 6.47 6.47 6.87
118 118 89
Na 0.514 0.014 0.029
Na 0.764 0.764 0.529
Cd 0.014 0.514 0.028
Sn 0.264 0.264 0.528
S 0.924 0.376 0.280
S 0.624 0.604 0.776
S 0.152 0.172 0.776
S 0.356 0.904 0.280 |
Below is a description of a material. | The chemical formula is: TlPF3.
The XRD pattern shows main peaks at: 20.4°(0.62), 23.7°(1.0), 31.5°(0.39), 33.5°(0.51), 39.8°(0.34), 41.6°(0.31), 48.4°(0.4), 52.8°(0.17), 60.2°(0.18), 64.2°(0.07), 65.8°(0.14), 70.9°(0.13), 75.5°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and ... | JVASP-138903 | 4.76 4.76 4.76
104 104 104
Tl 0.490 0.490 0.490
P 0.997 0.997 0.997
F 0.704 0.122 0.122
F 0.122 0.704 0.122
F 0.122 0.122 0.704 |
Below is a description of a material. | The chemical formula is: LiVF4.
The XRD pattern shows main peaks at: 17.6°(0.91), 25.8°(0.66), 27.0°(1.0), 32.2°(0.14), 35.2°(0.11), 38.1°(0.16), 40.2°(0.38), 40.7°(0.36), 42.5°(0.1), 43.2°(0.14), 50.3°(0.07), 51.0°(0.09), 53.0°(0.37), 53.4°(0.18), 53.9°(0.16), 55.7°(0.29), 61.2°(0.2), 67.4°(0.26), 68.5°(0.12), 89.0°(0... | JVASP-42175 | 5.50 4.69 5.59
90 113 90
Li 0.500 0.000 0.500
Li 0.500 0.500 0.000
V 0.000 0.500 0.500
V 0.000 0.000 0.000
F 0.140 0.701 0.845
F 0.140 0.799 0.345
F 0.336 0.313 0.636
F 0.336 0.187 0.136
F 0.664 0.813 0.864
F 0.664 0.687 0.364
F 0.860 0.201 0.655
F 0.860 0.299 0.155 |
Below is a description of a material. | The chemical formula is: LiNbRuRh.
The XRD pattern shows main peaks at: 25.2°(0.22), 29.1°(0.17), 41.7°(1.0), 60.4°(0.17), 76.0°(0.31).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-192667 | 4.34 4.34 4.34
60 60 60
Ru 0.000 -0.000 0.000
Nb 0.250 0.250 0.250
Rh 0.500 0.500 0.500
Li 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: ThSi2Ni2.
The XRD pattern shows main peaks at: 18.6°(0.07), 23.6°(0.77), 30.8°(0.14), 35.6°(0.58), 36.2°(1.0), 37.6°(0.16), 44.1°(0.39), 50.6°(0.22), 52.8°(0.19), 57.9°(0.32), 59.3°(0.18), 64.1°(0.13), 67.0°(0.18), 75.8°(0.21).
Generate atomic structure description with lattice lengths, angles,... | JVASP-15621 | 4.11 4.11 5.60
111 111 89
Th 0.000 0.000 0.000
Si 0.631 0.631 0.261
Si 0.369 0.369 0.739
Ni 0.750 0.250 0.500
Ni 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: Ba4CrMo.
The XRD pattern shows main peaks at: 15.3°(0.31), 25.1°(0.14), 29.5°(1.0), 30.9°(0.66), 35.8°(0.16), 39.2°(0.09), 44.3°(0.05), 47.1°(0.4), 51.6°(0.35), 54.1°(0.08), 60.6°(0.12), 61.3°(0.27), 72.4°(0.25), 75.9°(0.06), 83.5°(0.08), 84.2°(0.06).
Generate atomic structure description with ... | JVASP-63888 | 7.09 7.09 7.09
60 60 60
Ba 0.125 0.625 0.625
Ba 0.625 0.625 0.625
Ba 0.625 0.125 0.625
Ba 0.625 0.625 0.125
Cr 0.250 0.250 0.250
Mo 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Sc2Au.
The XRD pattern shows main peaks at: 21.7°(0.83), 30.2°(0.06), 37.5°(1.0), 38.0°(0.75), 44.2°(0.14), 49.3°(0.11), 54.4°(0.37), 59.7°(0.12), 62.7°(0.06), 67.2°(0.09), 68.3°(0.38), 75.7°(0.18), 81.3°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-185163 | 4.73 4.73 2.96
90 90 120
Sc 0.333 0.667 0.500
Sc 0.667 0.333 0.500
Au 0.000 0.000 -0.000 |
Below is a description of a material. | The chemical formula is: Be2NiRh.
The XRD pattern shows main peaks at: 28.6°(0.13), 33.2°(1.0), 47.6°(0.93), 56.5°(0.06), 59.3°(0.24), 69.6°(0.14), 79.3°(0.28), 88.7°(0.29).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-41151 | 3.82 3.82 3.82
60 60 60
Be 0.500 0.500 0.500
Be 0.000 0.000 0.000
Ni 0.250 0.250 0.250
Rh 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: Li2MnF4.
The XRD pattern shows main peaks at: 16.4°(0.35), 24.1°(1.0), 31.2°(0.08), 33.2°(0.14), 33.9°(0.13), 35.3°(0.05), 37.3°(0.16), 38.0°(0.14), 39.2°(0.1), 46.3°(0.23), 48.2°(0.19), 49.6°(0.09), 51.3°(0.15), 54.3°(0.08), 58.3°(0.06), 59.8°(0.11), 60.4°(0.09), 62.0°(0.06).
Generate atomic s... | JVASP-137744 | 5.37 5.74 6.09
62 90 90
Li 0.722 0.448 0.457
Li 0.222 0.052 0.543
Li 0.778 0.948 0.457
Li 0.278 0.552 0.543
Mn 0.000 0.000 0.000
Mn 0.500 0.500 -0.000
F 0.895 0.140 0.614
F 0.806 0.644 0.126
F 0.395 0.360 0.386
F 0.306 0.856 0.874
F 0.694 0.144 0.126
F 0.605 0.640 0.614
F 0.194 0.356 0.874
F 0.105 0.860 0.386 |
Below is a description of a material. | The chemical formula is: ScRu2.
The XRD pattern shows main peaks at: 20.0°(0.29), 20.6°(0.18), 22.5°(0.18), 37.3°(0.35), 41.0°(0.62), 42.0°(1.0), 46.0°(0.35), 46.9°(0.13), 52.1°(0.17), 54.7°(0.07), 64.3°(0.1), 66.8°(0.14), 69.0°(0.19), 71.2°(0.11), 73.9°(0.19), 88.8°(0.22).
Generate atomic structure description with la... | JVASP-86056 | 5.13 5.13 8.60
90 90 120
Sc 0.333 0.667 0.432
Sc 0.667 0.333 0.568
Sc 0.667 0.333 0.932
Sc 0.333 0.667 0.068
Ru 0.172 0.344 0.750
Ru 0.172 0.828 0.750
Ru 0.344 0.172 0.250
Ru 0.828 0.656 0.250
Ru 0.656 0.828 0.750
Ru 0.000 0.000 0.000
Ru 0.828 0.172 0.250
Ru 0.000 0.000 0.500 |
Below is a description of a material. | The chemical formula is: VBO4.
The XRD pattern shows main peaks at: 22.4°(1.0), 26.6°(0.07), 36.4°(0.29), 44.5°(0.13), 45.6°(0.08), 57.7°(0.11), 64.5°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-105590 | 4.95 4.95 4.95
122 122 85
V 0.000 0.000 0.000
B 0.250 0.750 0.500
O 0.590 0.984 0.843
O 0.252 0.410 0.393
O 0.141 0.748 0.157
O 0.016 0.859 0.607 |
Below is a description of a material. | The chemical formula is: Na2TiO3.
The XRD pattern shows main peaks at: 17.5°(0.28), 22.8°(0.28), 34.0°(0.25), 36.6°(0.16), 40.1°(1.0), 42.8°(0.45), 51.9°(0.12), 54.4°(0.13), 60.1°(0.51), 61.5°(0.12), 67.4°(0.1), 71.6°(0.1), 72.2°(0.06), 77.8°(0.1), 86.6°(0.05).
Generate atomic structure description with lattice lengths... | JVASP-93794 | 3.01 4.23 5.69
111 105 90
Na 0.677 0.677 0.355
Na 0.323 0.323 0.645
Ti 0.000 0.000 0.000
O 0.630 0.130 0.260
O 0.370 0.870 0.740
O 0.000 0.500 0.000 |
Below is a description of a material. | The chemical formula is: Ca2CuRh.
The XRD pattern shows main peaks at: 25.8°(0.15), 36.8°(1.0), 53.0°(0.16), 66.3°(0.32), 78.3°(0.1), 89.8°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-105126 | 4.88 4.88 4.88
60 60 60
Ca 0.750 0.750 0.750
Ca 0.250 0.250 0.250
Cu 0.500 0.500 0.500
Rh 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: V3Te4.
The XRD pattern shows main peaks at: 28.7°(0.26), 29.5°(1.0), 30.0°(0.89), 38.8°(0.37), 39.4°(0.36), 45.7°(0.67), 50.7°(0.09), 51.1°(0.12), 51.8°(0.15), 54.1°(0.1), 54.9°(0.14), 55.8°(0.22), 59.4°(0.09), 78.1°(0.08), 84.7°(0.08).
Generate atomic structure description with lattice lengths... | JVASP-19598 | 3.96 6.89 7.30
116 105 90
V 0.256 0.291 0.512
V 0.744 0.709 0.488
V 0.000 0.000 0.000
Te 0.635 0.974 0.271
Te 0.365 0.026 0.729
Te 0.112 0.452 0.224
Te 0.888 0.548 0.776 |
Below is a description of a material. | The chemical formula is: MnZnO3.
The XRD pattern shows main peaks at: 24.3°(0.3), 33.2°(1.0), 36.0°(0.88), 38.6°(0.16), 41.1°(0.12), 49.7°(0.42), 54.1°(0.44), 57.3°(0.08), 62.9°(0.36), 64.7°(0.33), 72.1°(0.11), 76.3°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-108964 | 5.44 5.44 5.44
54 54 54
Mn 0.342 0.342 0.342
Mn 0.658 0.658 0.658
Zn 0.133 0.133 0.133
Zn 0.867 0.867 0.867
O 0.063 0.716 0.452
O 0.452 0.063 0.716
O 0.716 0.452 0.063
O 0.284 0.548 0.937
O 0.548 0.937 0.284
O 0.937 0.284 0.548 |
Below is a description of a material. | The chemical formula is: BeV2Tc.
The XRD pattern shows main peaks at: 16.6°(0.22), 29.3°(0.38), 33.8°(0.39), 41.9°(0.67), 45.1°(1.0), 51.2°(0.06), 54.7°(0.11), 60.8°(0.19), 68.3°(0.09), 68.9°(0.06), 71.4°(0.09), 78.8°(0.35), 83.4°(0.06), 85.4°(0.11).
Generate atomic structure description with lattice lengths, angles, c... | JVASP-74056 | 3.05 3.05 5.35
90 90 90
Be 0.000 0.000 0.503
V 0.000 0.000 1.000
V 0.500 0.500 0.275
Tc 0.500 0.500 0.723 |
Below is a description of a material. | The chemical formula is: AcRh2Pb.
The XRD pattern shows main peaks at: 25.2°(0.12), 35.9°(1.0), 51.6°(0.18), 64.5°(0.36), 76.0°(0.12), 87.0°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-173602 | 5.01 5.01 5.01
60 60 60
Ac 0.250 0.250 0.250
Rh -0.000 -0.000 0.000
Rh 0.500 0.500 0.500
Pb 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: TcMo2W.
The XRD pattern shows main peaks at: 19.9°(0.06), 40.6°(1.0), 58.7°(0.2), 73.9°(0.22), 87.8°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-188391 | 3.14 4.44 4.46
90 90 90
Mo 0.000 -0.000 0.000
Mo 0.500 0.500 0.000
Tc 0.500 -0.000 0.500
W 0.000 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Te4Pt3.
The XRD pattern shows main peaks at: 7.2°(0.1), 14.5°(0.32), 30.8°(1.0), 41.2°(0.23), 43.2°(0.24), 44.9°(0.42), 47.5°(0.09), 55.4°(0.18), 62.6°(0.07), 74.0°(0.16), 82.9°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-16077 | 4.03 4.03 12.43
80 80 60
Te 0.946 0.946 0.162
Te 0.054 0.054 0.838
Te 0.795 0.795 0.615
Te 0.205 0.205 0.385
Pt 0.647 0.647 0.060
Pt 0.500 0.500 0.500
Pt 0.353 0.353 0.940 |
Below is a description of a material. | The chemical formula is: Ca2Zn2CuP3.
The XRD pattern shows main peaks at: 16.5°(0.21), 25.4°(0.15), 26.7°(0.23), 28.3°(0.22), 30.4°(0.61), 33.0°(0.09), 44.7°(1.0), 48.0°(0.09), 55.1°(0.11), 73.6°(0.08), 82.4°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-54929 | 4.05 4.05 21.43
90 90 120
Ca 0.000 0.000 0.659
Ca 0.000 0.000 0.341
Ca 0.000 0.000 0.159
Ca 0.000 0.000 0.841
Zn 0.333 0.667 0.957
Zn 0.667 0.333 0.457
Zn 0.667 0.333 0.043
Zn 0.333 0.667 0.543
Cu 0.667 0.333 0.750
Cu 0.333 0.667 0.250
P 0.667 0.333 0.576
P 0.333 0.667 0.424
P 0.333 0.667 0.750
P 0.667 0.333 0.924
P 0.... |
Below is a description of a material. | The chemical formula is: YbAl2.
The XRD pattern shows main peaks at: 19.3°(0.69), 31.8°(1.0), 37.4°(0.94), 45.5°(0.08), 56.6°(0.41), 66.4°(0.21).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-19922 | 5.63 5.63 5.63
60 60 60
Yb 0.875 0.875 0.875
Yb 0.125 0.125 0.125
Al 0.500 0.500 0.500
Al 0.500 0.500 0.000
Al 0.000 0.500 0.500
Al 0.500 0.000 0.500 |
Below is a description of a material. | The chemical formula is: MgN2Cl.
The XRD pattern shows main peaks at: 14.2°(0.69), 28.7°(0.37), 34.0°(0.63), 42.5°(1.0), 43.9°(0.83), 46.4°(0.15), 53.3°(0.16), 54.3°(0.32), 59.4°(0.1), 63.9°(0.22), 65.8°(0.06), 71.5°(0.05), 74.3°(0.11), 76.7°(0.18), 79.8°(0.24), 88.6°(0.16).
Generate atomic structure description with l... | JVASP-136375 | 2.91 2.91 6.23
90 90 90
Mg 0.000 0.000 0.473
N 0.000 0.000 0.148
N 0.500 0.500 0.190
Cl 0.500 0.500 0.690 |
Below is a description of a material. | The chemical formula is: MnSe2O5.
The XRD pattern shows main peaks at: 24.0°(0.21), 27.1°(0.91), 28.1°(1.0), 29.8°(0.09), 32.6°(0.36), 34.3°(0.12), 35.9°(0.16), 38.6°(0.11), 40.3°(0.2), 45.4°(0.11), 46.6°(0.15), 49.4°(0.11), 53.1°(0.13), 54.0°(0.15), 56.0°(0.08), 57.1°(0.12), 60.8°(0.08), 63.8°(0.09), 65.1°(0.11), 66.3... | JVASP-154238 | 6.79 6.79 5.72
73 73 107
Mn 0.917 0.083 0.250
Mn 0.083 0.917 0.750
Se 0.791 0.508 0.389
Se 0.492 0.209 0.111
Se 0.209 0.492 0.611
Se 0.508 0.791 0.889
O 0.914 0.784 0.172
O 0.216 0.086 0.328
O 0.086 0.216 0.828
O 0.784 0.914 0.672
O 0.977 0.400 0.279
O 0.600 0.023 0.221
O 0.023 0.600 0.721
O 0.400 0.977 0.779
O 0.576 0... |
Below is a description of a material. | The chemical formula is: Lu3Th.
The XRD pattern shows main peaks at: 29.4°(0.22), 32.0°(0.25), 33.6°(1.0), 44.0°(0.16), 52.2°(0.19), 58.0°(0.2), 62.6°(0.2), 63.5°(0.15), 81.8°(0.08), 89.7°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-107191 | 7.01 7.01 5.60
90 90 120
Lu 0.166 0.332 0.250
Lu 0.668 0.834 0.250
Lu 0.166 0.834 0.250
Lu 0.834 0.668 0.750
Lu 0.332 0.166 0.750
Lu 0.834 0.166 0.750
Th 0.333 0.667 0.750
Th 0.667 0.333 0.250 |
Below is a description of a material. | The chemical formula is: NiBiO3.
The XRD pattern shows main peaks at: 23.0°(0.28), 23.4°(0.17), 25.9°(0.17), 32.2°(0.21), 33.1°(1.0), 34.4°(0.13), 40.2°(0.09), 41.1°(0.14), 47.1°(0.2), 47.8°(0.14), 48.6°(0.17), 53.7°(0.16), 58.9°(0.08), 59.5°(0.28), 69.4°(0.11).
Generate atomic structure description with lattice length... | JVASP-144445 | 5.37 5.56 7.61
90 90 90
Ni 0.500 0.000 0.000
Ni -0.000 0.500 0.000
Ni 0.500 0.000 0.500
Ni 0.000 0.500 0.500
Bi 0.991 0.943 0.750
Bi 0.009 0.057 0.250
Bi 0.491 0.557 0.250
Bi 0.509 0.443 0.750
O 0.203 0.794 0.461
O 0.797 0.206 0.539
O 0.297 0.294 0.039
O 0.703 0.706 0.961
O 0.797 0.206 0.961
O 0.918 0.477 0.250
O 0.418... |
Below is a description of a material. | The chemical formula is: Sr3SbP.
The XRD pattern shows main peaks at: 14.6°(0.91), 20.7°(0.11), 25.5°(0.34), 29.5°(1.0), 33.1°(0.53), 42.2°(0.73), 44.9°(0.29), 50.0°(0.14), 52.3°(0.24), 54.7°(0.12), 61.2°(0.11), 63.3°(0.16), 67.4°(0.06), 69.4°(0.33), 71.4°(0.11), 77.2°(0.25), 79.1°(0.05), 86.6°(0.1).
Generate atomic st... | JVASP-36454 | 6.05 6.05 6.05
90 90 90
Sr 0.000 0.500 0.500
Sr 0.500 0.000 0.500
Sr 0.500 0.500 0.000
Sb 0.500 0.500 0.500
P 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: CdAuO2.
The XRD pattern shows main peaks at: 16.9°(0.26), 27.9°(0.2), 30.0°(1.0), 32.0°(0.99), 32.4°(0.9), 33.2°(0.86), 33.6°(0.83), 34.3°(0.71), 44.6°(0.41), 46.7°(0.39), 49.0°(0.29), 54.4°(0.21), 54.7°(0.23), 55.0°(0.22), 56.7°(0.17), 57.7°(0.22), 58.0°(0.19), 58.8°(0.37), 60.4°(0.16), 62.6°(... | JVASP-36816 | 4.09 5.55 6.05
115 105 86
Cd 0.271 0.270 0.533
Cd 0.729 0.730 0.467
Au 0.500 -0.000 -0.000
Au -0.000 0.500 0.000
O 0.682 0.162 0.809
O 0.318 0.838 0.191
O 0.717 0.280 0.359
O 0.283 0.720 0.641 |
Below is a description of a material. | The chemical formula is: LaCuSi.
The XRD pattern shows main peaks at: 24.3°(0.21), 26.6°(0.06), 32.6°(1.0), 42.7°(0.37), 43.7°(0.12), 50.6°(0.07), 54.7°(0.22), 62.7°(0.23), 71.8°(0.19), 78.1°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-149458 | 4.24 4.24 8.29
90 90 119
La 0.000 0.000 0.000
La 0.000 0.000 0.500
Cu 0.333 0.667 0.750
Cu 0.667 0.333 0.250
Si 0.333 0.667 0.250
Si 0.667 0.333 0.750 |
Below is a description of a material. | The chemical formula is: CdAsPd5.
The XRD pattern shows main peaks at: 33.8°(0.22), 37.9°(0.11), 40.5°(1.0), 44.9°(0.43), 51.4°(0.08), 60.2°(0.12), 65.4°(0.12), 70.6°(0.11), 74.5°(0.1), 78.1°(0.05), 79.8°(0.27), 87.6°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-35468 | 4.04 4.04 7.11
90 90 90
Cd 0.500 0.500 0.000
As 0.000 0.000 0.500
Pd 0.000 0.500 0.289
Pd 0.000 0.500 0.711
Pd 0.500 0.000 0.289
Pd 0.500 0.000 0.711
Pd 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: MgAlHg.
The XRD pattern shows main peaks at: 24.0°(1.0), 27.8°(0.28), 39.7°(0.66), 46.9°(0.47), 49.2°(0.08), 57.4°(0.11), 63.1°(0.21), 65.0°(0.11), 72.1°(0.23), 77.2°(0.16), 85.6°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-160890 | 4.54 4.54 4.54
60 60 60
Mg 0.750 0.750 0.750
Al 0.250 0.250 0.250
Hg 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: YCuSn.
The XRD pattern shows main peaks at: 23.9°(0.11), 25.8°(0.11), 33.3°(1.0), 40.1°(0.69), 47.2°(0.11), 48.9°(0.13), 53.1°(0.26), 65.0°(0.33), 68.6°(0.22), 72.9°(0.11), 86.6°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-149128 | 4.50 4.50 7.45
90 90 119
Y 0.000 0.000 0.000
Y 0.000 0.000 0.500
Cu 0.667 0.333 0.250
Cu 0.333 0.667 0.750
Sn 0.667 0.333 0.750
Sn 0.333 0.667 0.250 |
Below is a description of a material. | The chemical formula is: BaGePb2.
The XRD pattern shows main peaks at: 12.1°(0.22), 24.4°(0.16), 30.0°(0.66), 32.5°(1.0), 43.0°(0.36), 50.0°(0.08), 54.9°(0.45), 59.5°(0.08), 62.4°(0.17), 68.0°(0.08), 70.8°(0.11), 72.1°(0.19), 83.9°(0.06), 87.8°(0.12).
Generate atomic structure description with lattice lengths, angles, ... | JVASP-182453 | 4.21 4.21 7.29
90 90 90
Ba 0.500 0.500 0.640
Ge 0.000 0.000 0.932
Pb 0.000 -0.000 0.326
Pb 0.500 0.500 0.112 |
Below is a description of a material. | The chemical formula is: BePtRh.
The XRD pattern shows main peaks at: 18.2°(0.3), 33.7°(0.9), 36.8°(0.31), 42.9°(1.0), 46.4°(0.46), 50.3°(0.09), 56.6°(0.07), 57.8°(0.06), 60.7°(0.32), 67.8°(0.15), 76.1°(0.11), 76.5°(0.2), 77.8°(0.15), 79.7°(0.15), 83.6°(0.27).
Generate atomic structure description with lattice lengths,... | JVASP-65210 | 5.26 5.26 5.26
149 149 43
Be 0.002 0.002 0.000
Pt 0.355 0.355 0.000
Rh 0.643 0.643 -0.000 |
Below is a description of a material. | The chemical formula is: MgNiGe.
The XRD pattern shows main peaks at: 26.6°(0.63), 30.8°(0.06), 44.2°(1.0), 52.3°(0.27), 64.3°(0.15), 70.8°(0.1), 81.3°(0.31), 87.4°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-180031 | 4.10 4.10 4.10
60 60 60
Mg 0.250 0.250 0.250
Ni -0.000 0.000 0.000
Ge 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: Ba2NbFeO6.
The XRD pattern shows main peaks at: 31.5°(1.0), 38.8°(0.11), 45.1°(0.33), 56.0°(0.39), 65.7°(0.2), 74.7°(0.16), 83.3°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-35224 | 5.69 5.69 5.69
60 60 60
Ba 0.250 0.250 0.250
Ba 0.750 0.750 0.750
Nb 0.500 0.500 0.500
Fe 0.000 0.000 0.000
O 0.754 0.246 0.246
O 0.754 0.246 0.754
O 0.754 0.754 0.246
O 0.246 0.754 0.754
O 0.246 0.754 0.246
O 0.246 0.246 0.754 |
Below is a description of a material. | The chemical formula is: ThSb2.
The XRD pattern shows main peaks at: 19.3°(0.09), 22.3°(0.42), 28.6°(0.32), 29.1°(0.35), 30.2°(0.7), 34.7°(1.0), 35.6°(0.57), 40.8°(0.58), 47.0°(0.13), 50.9°(0.3), 53.9°(0.16), 55.3°(0.3), 58.1°(0.1), 59.1°(0.2), 67.2°(0.13), 67.8°(0.14), 69.8°(0.15), 70.4°(0.26), 70.9°(0.07), 85.2°(0.1)... | JVASP-14888 | 4.42 4.42 9.21
90 90 90
Th 0.000 0.500 0.276
Th 0.500 0.000 0.724
Sb 0.000 0.000 0.000
Sb 0.500 0.500 0.000
Sb 0.000 0.500 0.634
Sb 0.500 0.000 0.366 |
Below is a description of a material. | The chemical formula is: ScAgO2.
The XRD pattern shows main peaks at: 14.5°(0.28), 29.1°(0.43), 33.0°(1.0), 34.1°(0.54), 38.2°(0.26), 41.0°(0.44), 44.3°(0.07), 47.9°(0.51), 51.9°(0.18), 58.2°(0.33), 60.4°(0.06), 65.4°(0.11), 66.4°(0.25), 68.5°(0.11), 78.6°(0.1).
Generate atomic structure description with lattice length... | JVASP-81498 | 3.17 3.17 6.40
75 75 60
Sc 0.002 0.002 0.994
Ag 0.841 0.841 0.477
O 0.724 0.724 0.828
O 0.274 0.274 0.179 |
Below is a description of a material. | The chemical formula is: Ba2YTlCu2O7.
The XRD pattern shows main peaks at: 7.0°(0.08), 24.1°(0.11), 27.0°(0.49), 28.1°(0.06), 31.3°(1.0), 32.8°(0.77), 33.5°(0.08), 35.3°(0.2), 36.6°(0.09), 43.7°(0.18), 47.0°(0.38), 49.0°(0.19), 55.1°(0.14), 57.6°(0.39), 60.2°(0.16), 68.7°(0.12), 77.5°(0.08), 78.2°(0.12), 79.7°(0.07), 8... | JVASP-153396 | 3.86 3.86 12.70
90 90 90
Ba 0.500 0.500 0.208
Ba 0.500 0.500 0.792
Y 0.500 0.500 0.500
Tl 0.000 0.000 0.000
Cu 0.000 0.000 0.373
Cu 0.000 0.000 0.627
O 0.500 0.500 0.000
O 0.000 0.000 0.167
O 0.000 0.000 0.833
O 0.000 0.500 0.388
O 0.500 0.000 0.388
O 0.000 0.500 0.612
O 0.500 0.000 0.612 |
Below is a description of a material. | The chemical formula is: BeTlSi.
The XRD pattern shows main peaks at: 16.0°(0.6), 28.1°(1.0), 32.2°(0.23), 36.4°(0.52), 38.4°(0.3), 41.8°(0.25), 49.4°(0.23), 51.0°(0.26), 55.4°(0.11), 58.0°(0.1), 63.2°(0.22), 64.1°(0.07), 65.5°(0.12), 68.1°(0.18), 77.3°(0.15), 80.4°(0.07).
Generate atomic structure description with lat... | JVASP-67840 | 6.03 6.03 6.03
148 148 45
Be 0.910 0.910 0.000
Tl 0.673 0.673 0.000
Si 0.416 0.416 0.000 |
Below is a description of a material. | The chemical formula is: U3Rh.
The XRD pattern shows main peaks at: 16.1°(0.06), 18.3°(0.07), 24.4°(0.1), 34.6°(0.77), 37.0°(0.55), 37.6°(1.0), 39.4°(0.78), 51.6°(0.46), 59.4°(0.07), 62.7°(0.37), 63.2°(0.12), 67.1°(0.19), 68.3°(0.21), 72.1°(0.08), 75.6°(0.15), 75.9°(0.27), 78.8°(0.06), 80.2°(0.11), 86.8°(0.16), 89.0°(0... | JVASP-123522 | 2.94 5.50 4.86
90 90 90
U 0.500 0.378 0.250
U 0.500 0.601 0.750
U 0.000 0.896 0.250
Rh 0.000 0.125 0.750 |
Below is a description of a material. | The chemical formula is: BiCl2.
The XRD pattern shows main peaks at: 18.7°(0.94), 19.9°(0.57), 25.7°(1.0), 32.1°(0.79), 32.7°(0.37), 34.0°(0.38), 34.3°(0.39), 37.9°(0.19), 38.4°(0.18), 40.4°(0.12), 41.7°(0.36), 43.1°(0.41), 43.4°(0.45), 46.4°(0.23), 46.8°(0.21), 48.5°(0.15), 52.8°(0.16), 56.5°(0.17), 57.5°(0.15), 64.5°... | JVASP-134176 | 5.55 3.47 5.23
90 121 90
Bi 0.550 0.000 0.144
Cl -0.250 0.000 -0.219
Cl 0.100 0.000 0.475 |
Below is a description of a material. | The chemical formula is: Li3V2Ni2O8.
The XRD pattern shows main peaks at: 18.5°(1.0), 18.9°(0.97), 36.1°(0.36), 36.7°(0.22), 37.5°(0.16), 38.3°(0.15), 43.3°(0.45), 44.4°(0.94), 47.8°(0.16), 63.7°(0.53), 65.6°(0.11), 79.9°(0.11), 81.9°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinate... | JVASP-147172 | 5.85 5.85 5.69
60 60 60
Li -0.000 0.500 0.500
Li 0.500 0.500 0.500
Li 0.500 0.000 0.500
V 0.000 0.000 0.000
V -0.000 0.000 0.500
Ni 0.500 0.000 0.000
Ni -0.000 0.500 0.000
O 0.770 0.770 0.223
O 0.225 0.225 0.265
O 0.770 0.225 0.255
O 0.225 0.770 0.255
O 0.775 0.230 0.745
O 0.230 0.775 0.745
O 0.775 0.775 0.735
O 0.230 ... |
Below is a description of a material. | The chemical formula is: PrSmB12.
The XRD pattern shows main peaks at: 21.5°(0.67), 30.6°(1.0), 37.8°(0.4), 43.9°(0.22), 49.4°(0.51), 54.5°(0.26), 63.8°(0.1), 68.2°(0.25), 72.4°(0.21), 76.6°(0.12), 84.7°(0.09), 88.7°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-137677 | 5.84 5.84 4.13
90 90 90
Pr 0.000 0.000 0.000
Sm 0.500 0.500 0.000
B 0.000 0.500 0.199
B 0.500 0.000 0.199
B 0.151 0.650 0.500
B 0.650 0.151 0.500
B 0.151 0.350 0.500
B 0.650 0.849 0.500
B 0.849 0.350 0.500
B 0.350 0.849 0.500
B 0.849 0.650 0.500
B 0.350 0.151 0.500
B 0.000 0.500 0.801
B 0.500 0.000 0.801 |
Below is a description of a material. | The chemical formula is: BaBiTe.
The XRD pattern shows main peaks at: 19.0°(0.25), 22.0°(0.22), 31.3°(1.0), 36.9°(0.15), 38.6°(0.07), 44.9°(0.18), 49.2°(0.06), 50.5°(0.1), 55.7°(0.37), 65.3°(0.12), 74.2°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-66661 | 5.71 5.71 5.71
60 60 60
Ba 0.750 0.750 0.750
Bi 0.000 0.000 0.000
Te 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: K2TlAgBr6.
The XRD pattern shows main peaks at: 16.0°(0.99), 22.8°(0.31), 28.0°(0.17), 32.4°(1.0), 36.4°(0.54), 46.5°(0.71), 49.5°(0.28), 57.8°(0.24), 67.9°(0.1), 77.2°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-171164 | 7.81 7.81 7.81
60 60 60
K 0.250 0.250 0.250
K 0.750 0.750 0.750
Tl -0.000 -0.000 0.000
Ag 0.500 0.500 0.500
Br 0.254 0.746 0.254
Br 0.746 0.746 0.254
Br 0.746 0.254 0.746
Br 0.746 0.254 0.254
Br 0.254 0.746 0.746
Br 0.254 0.254 0.746 |
Below is a description of a material. | The chemical formula is: YAgGe.
The XRD pattern shows main peaks at: 21.2°(0.06), 32.9°(1.0), 36.0°(0.94), 38.4°(0.51), 43.1°(0.3), 43.7°(0.27), 44.2°(0.33), 57.9°(0.12), 59.1°(0.3), 63.1°(0.18), 69.7°(0.29), 72.6°(0.1), 74.4°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and ato... | JVASP-102607 | 7.17 7.17 4.19
90 90 120
Y 0.586 -0.000 0.000
Y -0.000 0.586 0.000
Y 0.414 0.414 0.000
Ag 0.252 -0.000 0.500
Ag -0.000 0.252 0.500
Ag 0.748 0.748 0.500
Ge 0.333 0.667 0.500
Ge 0.667 0.333 0.500
Ge 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Li4VO4F.
The XRD pattern shows main peaks at: 18.1°(0.72), 20.1°(0.32), 20.7°(0.19), 23.2°(0.78), 27.3°(1.0), 29.9°(0.12), 36.2°(0.39), 36.6°(0.24), 37.2°(0.13), 38.2°(0.27), 40.9°(0.09), 42.6°(0.12), 47.1°(0.14), 51.6°(0.12), 60.5°(0.18), 65.3°(0.17), 67.2°(0.1).
Generate atomic structure desc... | JVASP-140585 | 5.19 5.19 8.83
89 89 109
Li 0.120 0.362 0.578
Li 0.891 0.247 0.254
Li 0.147 0.531 0.958
Li 0.531 0.147 0.458
Li 0.362 0.120 0.078
Li 0.741 0.949 0.965
Li 0.247 0.891 0.754
Li 0.949 0.741 0.465
V 0.466 0.637 0.271
V 0.637 0.466 0.771
O 0.709 0.898 0.368
O 0.416 0.764 0.096
O 0.351 0.565 0.752
O 0.163 0.535 0.373
O 0.764... |
Below is a description of a material. | The chemical formula is: TaKr.
The XRD pattern shows main peaks at: 11.4°(0.37), 22.8°(0.72), 34.5°(0.27), 36.5°(1.0), 41.8°(0.31), 46.6°(0.11), 49.6°(0.39), 59.3°(0.11), 61.9°(0.14), 66.9°(0.22), 70.5°(0.14), 74.0°(0.12), 80.9°(0.13), 83.2°(0.1).
Generate atomic structure description with lattice lengths, angles, coor... | JVASP-128525 | 3.00 3.00 7.79
90 90 120
Ta 0.333 0.667 0.250
Kr 0.667 0.333 0.750 |
Below is a description of a material. | The chemical formula is: ZnGa2O4.
The XRD pattern shows main peaks at: 18.2°(0.11), 30.0°(0.28), 35.3°(1.0), 36.9°(0.13), 42.9°(0.18), 56.7°(0.28), 62.3°(0.44).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-9739 | 5.96 5.96 5.96
60 59 60
Zn 0.125 0.125 0.125
Zn 0.875 0.875 0.875
Ga 0.500 0.500 0.000
Ga 0.500 0.500 0.500
Ga 0.000 0.500 0.500
Ga 0.500 0.000 0.500
O 0.738 0.738 0.738
O 0.262 0.262 0.715
O 0.262 0.715 0.262
O 0.715 0.262 0.262
O 0.738 0.285 0.738
O 0.285 0.738 0.738
O 0.262 0.262 0.262
O 0.738 0.738 0.285 |
Below is a description of a material. | The chemical formula is: ZrPH2.
The XRD pattern shows main peaks at: 22.5°(1.0), 23.7°(0.45), 32.9°(0.4), 33.8°(0.7), 41.0°(0.74), 46.0°(0.13), 48.5°(0.26), 52.4°(0.12), 54.1°(0.34), 54.7°(0.08), 58.2°(0.26), 59.8°(0.13), 69.0°(0.15), 71.0°(0.08), 74.1°(0.08), 75.6°(0.12), 81.0°(0.1), 81.6°(0.09), 85.4°(0.18), 88.8°(0.... | JVASP-186595 | 3.76 3.76 3.95
90 90 90
Zr 0.500 0.500 0.699
P -0.000 0.000 0.740
H -0.000 0.000 0.373
H 0.500 0.500 0.198 |
Below is a description of a material. | The chemical formula is: Bi8Se9.
The XRD pattern shows main peaks at: 2.7°(0.25), 10.7°(0.13), 24.5°(0.4), 26.9°(0.16), 28.7°(0.9), 42.6°(1.0), 49.8°(0.06), 52.2°(0.35), 69.6°(0.14), 78.0°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-168583 | 4.24 4.24 33.12
86 86 60
Bi 0.176 0.176 0.472
Bi 0.824 0.824 0.528
Bi 0.116 0.116 0.653
Bi 0.884 0.884 0.347
Bi 0.353 0.353 0.942
Bi 0.647 0.647 0.058
Bi 0.410 0.410 0.769
Bi 0.590 0.590 0.231
Se 0.000 0.000 0.000
Se 0.062 0.062 0.815
Se 0.938 0.938 0.185
Se 0.237 0.237 0.290
Se 0.763 0.763 0.710
Se 0.298 0.298 0.105
S... |
Below is a description of a material. | The chemical formula is: MnAsRu.
The XRD pattern shows main peaks at: 29.9°(0.09), 34.6°(0.09), 38.0°(1.0), 41.9°(0.98), 46.4°(0.32), 46.8°(0.38), 52.3°(0.22), 53.0°(0.27), 64.9°(0.1), 68.0°(0.2), 69.8°(0.16), 73.4°(0.19), 80.9°(0.11), 83.5°(0.13), 85.4°(0.23).
Generate atomic structure description with lattice lengths... | JVASP-89994 | 3.88 5.98 5.98
120 90 90
Mn 0.000 0.247 -0.000
Mn 0.000 0.753 0.753
Mn 0.000 1.000 0.247
As 0.000 0.333 0.667
As 0.000 0.667 0.333
As 0.500 0.000 -0.000
Ru 0.500 0.592 -0.000
Ru 0.500 0.408 0.408
Ru 0.500 -0.000 0.592 |
Below is a description of a material. | The chemical formula is: YScZn2.
The XRD pattern shows main peaks at: 22.3°(0.07), 36.8°(1.0), 53.1°(0.17), 66.3°(0.31), 78.4°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-168566 | 4.88 4.88 4.88
60 60 60
Y 0.750 0.750 0.750
Sc 0.250 0.250 0.250
Zn 0.000 0.000 -0.000
Zn 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: CaMg.
The XRD pattern shows main peaks at: 22.6°(0.08), 32.2°(1.0), 46.2°(0.16), 57.4°(0.3), 67.4°(0.1), 76.7°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-169649 | 3.93 5.55 5.55
90 90 90
Ca 0.500 0.583 -0.000
Ca 0.500 0.083 0.500
Mg 0.000 0.083 -0.000
Mg -0.000 0.583 0.500 |
Below is a description of a material. | The chemical formula is: ZnI2.
The XRD pattern shows main peaks at: 13.0°(0.18), 25.6°(0.07), 26.2°(0.15), 26.7°(0.45), 30.8°(1.0), 43.8°(0.36), 44.4°(0.36), 51.7°(0.06), 52.3°(0.14), 53.9°(0.06), 55.0°(0.19), 64.1°(0.11), 72.4°(0.14), 73.3°(0.16).
Generate atomic structure description with lattice lengths, angles, coo... | JVASP-29649 | 7.20 7.20 7.20
32 32 32
Zn 0.000 0.000 0.000
I 0.747 0.747 0.747
I 0.253 0.253 0.253 |
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