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: LuThB8Rh8.
The XRD pattern shows main peaks at: 20.4°(0.06), 23.5°(0.17), 29.0°(0.23), 33.6°(0.28), 35.7°(0.37), 39.6°(1.0), 41.4°(0.09), 44.9°(0.17), 54.3°(0.17), 60.0°(0.08), 64.1°(0.26), 70.6°(0.22), 72.0°(0.08), 81.6°(0.08), 84.1°(0.09).
Generate atomic structure description with lattice le... | JVASP-166411 | 5.34 5.34 7.53
90 90 90
Lu 0.750 0.250 0.250
Th 0.250 0.750 0.750
B 0.582 0.750 0.398
B 0.918 0.750 0.398
B 0.750 0.584 0.900
B 0.750 0.916 0.900
B 0.416 0.250 0.600
B 0.084 0.250 0.600
B 0.250 0.418 0.102
B 0.250 0.082 0.102
Rh 0.999 0.750 0.108
Rh 0.501 0.750 0.108
Rh 0.750 0.002 0.599
Rh 0.750 0.498 0.599
Rh 0.998 0... |
Below is a description of a material. | The chemical formula is: PrAlPt.
The XRD pattern shows main peaks at: 25.8°(0.7), 27.1°(0.11), 32.6°(0.48), 33.7°(1.0), 36.3°(0.1), 39.0°(0.16), 39.7°(0.29), 40.0°(0.35), 41.7°(0.12), 44.0°(0.21), 46.0°(0.07), 47.2°(0.1), 48.2°(0.13), 53.2°(0.08), 54.6°(0.12), 57.1°(0.11), 60.9°(0.13), 64.4°(0.14), 68.7°(0.12), 72.5°(0... | JVASP-86280 | 4.51 7.25 7.89
90 90 90
Pr 0.250 0.528 0.182
Pr 0.250 0.028 0.318
Pr 0.750 0.972 0.682
Pr 0.750 0.472 0.818
Al 0.250 0.147 0.931
Al 0.750 0.353 0.431
Al 0.250 0.647 0.569
Al 0.750 0.853 0.069
Pt 0.250 0.787 0.891
Pt 0.250 0.287 0.609
Pt 0.750 0.713 0.391
Pt 0.750 0.213 0.109 |
Below is a description of a material. | The chemical formula is: MnSbSe2Br.
The XRD pattern shows main peaks at: 11.2°(0.16), 16.4°(0.14), 22.6°(0.17), 27.8°(0.16), 28.7°(0.11), 29.6°(0.13), 30.6°(1.0), 31.9°(0.99), 33.1°(0.08), 35.9°(0.25), 42.9°(0.08), 43.5°(0.14), 45.7°(0.5), 46.2°(0.07), 50.4°(0.16), 51.9°(0.18), 54.2°(0.09), 55.7°(0.24), 74.8°(0.07), 84... | JVASP-12132 | 3.99 9.94 12.89
90 90 90
Mn 0.750 0.494 0.763
Mn 0.750 0.994 0.737
Mn 0.250 0.006 0.263
Mn 0.250 0.506 0.237
Sb 0.250 0.810 0.964
Sb 0.750 0.690 0.464
Sb 0.250 0.310 0.536
Sb 0.750 0.190 0.036
Se 0.750 0.445 0.381
Se 0.250 0.055 0.881
Se 0.250 0.749 0.322
Se 0.750 0.945 0.119
Se 0.750 0.251 0.678
Se 0.750 0.751 0.822
S... |
Below is a description of a material. | The chemical formula is: Co2SnAs.
The XRD pattern shows main peaks at: 24.3°(0.09), 40.2°(1.0), 47.5°(0.05), 58.1°(0.18), 73.0°(0.35), 86.7°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-75543 | 4.49 4.49 4.49
60 60 60
Co 0.000 0.000 0.000
Co 0.250 0.250 0.250
Sn 0.750 0.750 0.750
As 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: CaSnO.
The XRD pattern shows main peaks at: 13.4°(1.0), 18.6°(0.41), 19.0°(0.19), 23.0°(0.56), 27.0°(0.23), 30.3°(0.17), 33.0°(0.27), 35.8°(0.23), 37.8°(0.07), 40.3°(0.12), 41.0°(0.1), 43.3°(0.13), 45.4°(0.14), 47.0°(0.09), 47.5°(0.14), 49.1°(0.09), 49.8°(0.08), 53.6°(0.12), 57.0°(0.07), 58.8°(... | JVASP-134403 | 6.60 6.60 4.76
90 90 90
Ca 0.379 0.001 0.000
Sn -0.004 -0.035 0.000
O 0.001 0.271 0.000 |
Below is a description of a material. | The chemical formula is: HfGaCo.
The XRD pattern shows main peaks at: 20.3°(0.11), 21.8°(0.13), 30.0°(0.24), 35.3°(0.3), 35.8°(0.54), 39.0°(0.85), 41.2°(0.13), 41.9°(0.51), 42.3°(1.0), 42.7°(0.47), 43.2°(0.18), 44.5°(0.15), 60.6°(0.12), 63.7°(0.11), 65.9°(0.16), 66.6°(0.16), 68.2°(0.24), 69.0°(0.1), 72.2°(0.24), 75.8°(... | JVASP-133463 | 5.02 5.02 8.15
90 90 119
Hf 0.330 0.670 0.181
Hf 0.660 0.340 0.288
Hf 0.660 0.340 0.712
Hf 0.330 0.670 0.819
Ga 0.845 0.155 0.000
Ga 0.164 0.338 0.500
Ga 0.662 0.836 0.500
Ga 0.165 0.835 0.500
Co 0.995 0.005 0.254
Co 0.995 0.005 0.746
Co 0.851 0.659 0.000
Co 0.341 0.149 0.000 |
Below is a description of a material. | The chemical formula is: Na3BiF6.
The XRD pattern shows main peaks at: 17.3°(1.0), 20.1°(0.89), 28.5°(0.94), 33.6°(0.71), 40.8°(0.48), 45.8°(0.07), 59.0°(0.3).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-104998 | 6.26 6.26 6.26
60 60 60
Na 0.750 0.750 0.750
Na 0.250 0.250 0.250
Na 0.500 0.500 0.500
Bi 0.000 0.000 0.000
F 0.747 0.253 0.253
F 0.253 0.253 0.747
F 0.253 0.747 0.747
F 0.253 0.747 0.253
F 0.747 0.253 0.747
F 0.747 0.747 0.253 |
Below is a description of a material. | The chemical formula is: Be3Au.
The XRD pattern shows main peaks at: 25.8°(0.29), 28.6°(1.0), 36.3°(0.27), 45.1°(0.37), 47.3°(0.26), 52.3°(0.11), 53.1°(0.05), 59.2°(0.13), 60.7°(0.23), 66.0°(0.09), 73.1°(0.13), 73.9°(0.07), 77.8°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-194056 | 4.24 4.24 4.24
131 131 71
Be 0.583 0.500 0.083
Be 0.833 0.250 0.583
Be 0.333 0.750 0.583
Au 0.083 0.000 0.083 |
Below is a description of a material. | The chemical formula is: GaSb.
The XRD pattern shows main peaks at: 24.9°(1.0), 28.8°(0.06), 41.2°(0.73), 48.8°(0.43), 59.7°(0.12), 65.7°(0.19), 75.1°(0.23).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-20099 | 4.38 4.38 4.38
60 60 60
Ga 0.000 0.000 0.000
Sb 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: TmGa2Pd.
The XRD pattern shows main peaks at: 22.1°(0.13), 27.2°(0.19), 35.3°(1.0), 35.8°(0.17), 36.4°(0.93), 38.4°(0.33), 41.1°(0.39), 43.8°(0.3), 45.3°(0.15), 49.9°(0.06), 54.3°(0.09), 55.7°(0.12), 57.5°(0.2), 62.7°(0.11), 68.9°(0.09), 70.6°(0.08), 71.0°(0.15), 71.8°(0.21), 81.9°(0.14), 85.4°... | JVASP-16517 | 4.40 5.48 6.56
90 90 113
Tm 0.089 0.179 0.750
Tm 0.911 0.821 0.250
Ga 0.374 0.748 0.948
Ga 0.626 0.252 0.052
Ga 0.626 0.252 0.448
Ga 0.374 0.748 0.552
Pd 0.801 0.601 0.750
Pd 0.199 0.399 0.250 |
Below is a description of a material. | The chemical formula is: TiVC2.
The XRD pattern shows main peaks at: 36.7°(0.78), 42.6°(1.0), 61.8°(0.42), 74.1°(0.24), 78.0°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-110970 | 5.21 5.21 5.21
33 33 33
Ti 0.500 0.500 0.500
V 0.000 0.000 0.000
C 0.253 0.253 0.253
C 0.747 0.747 0.747 |
Below is a description of a material. | The chemical formula is: UCl3.
The XRD pattern shows main peaks at: 13.8°(1.0), 24.0°(0.65), 25.1°(0.92), 27.8°(0.2), 35.0°(0.86), 37.0°(0.14), 42.2°(0.34), 42.9°(0.78), 49.4°(0.2), 56.0°(0.14), 61.5°(0.22), 67.3°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-149675 | 7.42 7.42 4.25
90 90 119
U 0.333 0.667 0.250
U 0.667 0.333 0.750
Cl 0.384 0.299 0.250
Cl 0.701 0.085 0.250
Cl 0.915 0.616 0.250
Cl 0.616 0.701 0.750
Cl 0.299 0.915 0.750
Cl 0.085 0.384 0.750 |
Below is a description of a material. | The chemical formula is: Zr2AlC.
The XRD pattern shows main peaks at: 12.2°(0.35), 24.5°(0.07), 31.0°(0.2), 31.7°(0.15), 36.3°(1.0), 39.9°(0.06), 55.2°(0.22), 67.9°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-194184 | 3.33 3.33 14.55
90 90 120
Al 0.667 0.333 0.750
Al 0.333 0.667 0.250
C -0.000 0.000 -0.000
C -0.000 -0.000 0.500
Zr 0.667 0.333 0.087
Zr 0.333 0.667 0.587
Zr 0.333 0.667 0.913
Zr 0.667 0.333 0.413 |
Below is a description of a material. | The chemical formula is: URu3.
The XRD pattern shows main peaks at: 22.2°(0.15), 31.6°(0.13), 39.0°(1.0), 45.4°(0.45), 51.1°(0.08), 56.4°(0.06), 66.1°(0.32), 79.5°(0.39), 83.8°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-19647 | 4.00 4.00 4.00
90 90 90
U 0.000 0.000 0.000
Ru 0.000 0.500 0.500
Ru 0.500 0.500 0.000
Ru 0.500 0.000 0.500 |
Below is a description of a material. | The chemical formula is: Ho3Er3MnBi2.
The XRD pattern shows main peaks at: 21.2°(0.08), 30.4°(1.0), 33.0°(0.57), 33.3°(0.59), 37.9°(0.33), 39.8°(0.36), 43.1°(0.23), 55.5°(0.26), 58.7°(0.18), 60.9°(0.23), 63.9°(0.23), 71.2°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom ty... | JVASP-106804 | 4.20 8.22 8.22
59 90 90
Ho 0.000 0.232 0.768
Ho 0.000 0.768 0.000
Ho 0.000 -0.000 0.232
Er 0.500 0.611 0.389
Er 0.500 0.389 0.000
Er 0.500 1.000 0.611
Mn 0.500 -0.000 0.000
Bi 0.000 0.333 0.333
Bi 0.000 0.667 0.667 |
Below is a description of a material. | The chemical formula is: TmMg.
The XRD pattern shows main peaks at: 23.9°(0.66), 34.1°(1.0), 42.1°(0.19), 49.0°(0.17), 55.2°(0.28), 61.0°(0.38), 71.8°(0.11), 76.9°(0.13), 81.9°(0.16), 86.8°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-7805 | 3.72 3.72 3.72
90 90 90
Tm 0.500 0.500 0.500
Mg 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: HCl.
The XRD pattern shows main peaks at: 28.9°(1.0), 32.8°(0.37), 34.9°(0.15), 47.1°(0.1), 48.7°(0.2), 56.3°(0.23), 59.0°(0.11), 60.0°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-52594 | 3.75 3.75 3.85
59 59 86
H 0.708 0.292 -0.000
Cl 0.960 0.040 0.000 |
Below is a description of a material. | The chemical formula is: LiHF2.
The XRD pattern shows main peaks at: 35.8°(0.2), 36.8°(1.0), 40.9°(0.27), 45.2°(0.22), 47.7°(0.67), 60.8°(0.15), 63.9°(0.18), 75.9°(0.05), 78.2°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-51363 | 12.35 4.57 6.36
155 166 20
Li 0.000 0.000 0.000
H -0.000 0.500 -0.000
F 0.779 0.189 -0.000
F 0.221 0.811 0.000 |
Below is a description of a material. | The chemical formula is: Zr6GaSn.
The XRD pattern shows main peaks at: 32.2°(0.35), 36.1°(1.0), 39.7°(0.79), 57.4°(0.07), 60.0°(0.13), 62.5°(0.27), 67.3°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-194832 | 7.87 7.87 5.56
45 44 59
Zr 0.000 0.500 0.746
Zr 0.754 -0.000 0.746
Zr 0.500 0.246 0.254
Zr 0.246 0.000 0.254
Zr -0.000 0.500 0.254
Zr 0.500 0.754 0.746
Ga -0.000 -0.000 -0.000
Sn 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Lu3Ga5Co.
The XRD pattern shows main peaks at: 21.5°(0.08), 26.4°(0.18), 30.5°(0.1), 34.3°(1.0), 37.6°(0.6), 40.8°(0.34), 43.8°(0.26), 46.5°(0.29), 54.3°(0.05), 56.7°(0.12), 61.3°(0.41), 65.8°(0.13), 74.3°(0.35), 76.4°(0.08).
Generate atomic structure description with lattice lengths, angles, c... | JVASP-106302 | 6.76 6.76 4.13
90 90 120
Lu 0.598 0.000 0.000
Lu 0.000 0.598 0.000
Lu 0.402 0.402 0.000
Ga 0.234 0.000 0.500
Ga 0.000 0.234 0.500
Ga 0.766 0.766 0.500
Ga 0.333 0.667 0.500
Ga 0.667 0.333 0.500
Co 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: InNi2Au.
The XRD pattern shows main peaks at: 24.9°(0.07), 28.9°(0.22), 41.3°(1.0), 51.2°(0.06), 59.8°(0.15), 67.8°(0.09), 75.3°(0.33), 89.7°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-171325 | 4.37 4.37 4.37
60 60 60
In 0.750 0.750 0.750
Ni 0.000 0.000 0.000
Ni 0.500 0.500 0.500
Au 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: Ho2TiO5.
The XRD pattern shows main peaks at: 18.9°(0.58), 26.2°(0.45), 29.5°(0.86), 30.3°(1.0), 32.8°(0.34), 33.5°(0.24), 34.2°(0.34), 35.2°(0.14), 43.6°(0.26), 47.1°(0.21), 48.3°(0.38), 51.3°(0.13), 52.3°(0.15), 54.0°(0.22), 56.4°(0.1), 57.8°(0.21), 58.4°(0.12), 58.9°(0.15), 63.2°(0.14), 65.5... | JVASP-50894 | 6.42 6.42 7.45
68 111 131
Ho 0.339 0.624 0.734
Ho 0.376 0.661 0.234
Ho 0.624 0.339 0.766
Ho 0.661 0.376 0.266
Ti -0.000 -0.000 0.500
Ti 0.000 0.000 0.000
O 0.009 0.673 0.637
O 0.327 0.991 0.137
O 0.610 0.759 0.537
O 0.162 0.162 0.750
O 0.759 0.610 0.963
O 0.241 0.390 0.037
O 0.838 0.838 0.250
O 0.390 0.241 0.463
O 0.67... |
Below is a description of a material. | The chemical formula is: CdPbS2.
The XRD pattern shows main peaks at: 15.4°(0.09), 21.8°(0.09), 26.8°(0.88), 31.1°(1.0), 34.8°(0.06), 44.5°(0.79), 52.7°(0.4), 55.3°(0.27), 64.7°(0.1), 71.4°(0.17), 73.6°(0.29), 82.0°(0.24), 88.1°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and ... | JVASP-106111 | 4.07 4.07 5.75
90 90 90
Cd 0.000 0.000 0.000
Pb 0.500 0.500 0.500
S 0.000 0.000 0.500
S 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: K3Rh.
The XRD pattern shows main peaks at: 13.3°(0.27), 20.9°(0.15), 23.1°(0.13), 26.8°(0.26), 31.4°(1.0), 32.5°(0.2), 39.4°(0.17), 40.2°(0.06), 42.6°(0.13), 47.3°(0.17), 57.2°(0.15), 57.9°(0.13), 58.5°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and a... | JVASP-38492 | 7.69 7.69 5.52
90 90 120
K 0.187 0.813 0.750
K 0.627 0.813 0.750
K 0.187 0.373 0.750
K 0.813 0.187 0.250
K 0.373 0.187 0.250
K 0.813 0.627 0.250
Rh 0.333 0.667 0.250
Rh 0.667 0.333 0.750 |
Below is a description of a material. | The chemical formula is: Mg2S.
The XRD pattern shows main peaks at: 14.4°(0.31), 22.5°(1.0), 26.8°(0.12), 28.3°(0.1), 28.8°(0.12), 36.4°(0.09), 36.9°(0.13), 38.0°(0.21), 38.8°(0.19), 44.6°(0.27), 45.4°(0.23), 46.0°(0.12), 50.2°(0.16), 55.7°(0.14), 61.1°(0.1), 61.7°(0.1), 65.2°(0.07), 70.4°(0.06).
Generate atomic struct... | JVASP-135433 | 3.63 3.95 7.06
90 60 90
Mg -0.106 0.000 -0.138
Mg 0.373 0.000 0.404
S 0.133 0.000 0.133 |
Below is a description of a material. | The chemical formula is: PdPt3Rh2.
The XRD pattern shows main peaks at: 22.7°(0.07), 32.3°(0.07), 39.8°(1.0), 46.3°(0.32), 67.5°(0.1), 81.3°(0.23).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-188711 | 2.77 2.77 11.77
90 90 90
Pd 0.500 0.500 0.500
Pt -0.000 0.000 0.000
Pt -0.000 -0.000 0.672
Pt 0.000 0.000 0.328
Rh 0.500 0.500 0.836
Rh 0.500 0.500 0.164 |
Below is a description of a material. | The chemical formula is: Fe3OF5.
The XRD pattern shows main peaks at: 26.1°(1.0), 26.9°(0.86), 34.7°(0.55), 37.7°(0.07), 39.5°(0.18), 40.3°(0.09), 51.8°(0.4), 52.6°(0.16), 53.2°(0.14), 53.7°(0.2), 55.5°(0.17), 60.3°(0.16), 65.9°(0.1), 66.4°(0.17), 66.9°(0.21).
Generate atomic structure description with lattice lengths,... | JVASP-119729 | 4.78 5.62 7.78
85 89 88
Fe 0.504 0.162 0.337
Fe 0.508 0.495 0.999
Fe 0.523 0.818 0.656
Fe 0.990 0.658 0.340
Fe 0.970 0.350 0.692
Fe 0.991 0.023 0.984
O 0.812 0.634 0.563
O 0.780 0.310 0.912
F 0.206 0.028 0.754
F 0.309 0.208 0.093
F 0.308 0.526 0.781
F 0.308 0.856 0.421
F 0.814 0.976 0.231
F 0.686 0.475 0.223
F 0.687 0.... |
Below is a description of a material. | The chemical formula is: Ca3Ru.
The XRD pattern shows main peaks at: 19.0°(0.2), 27.0°(0.17), 33.2°(1.0), 38.5°(0.5), 43.3°(0.1), 47.6°(0.07), 55.6°(0.32), 59.3°(0.05), 66.3°(0.36), 69.7°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-129888 | 4.68 4.68 4.68
90 90 90
Ca 0.000 0.500 0.500
Ca 0.500 0.000 0.500
Ca 0.500 0.500 0.000
Ru 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: NiN.
The XRD pattern shows main peaks at: 38.4°(0.91), 44.6°(1.0), 64.9°(0.56), 78.0°(0.34), 82.2°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-36338 | 2.87 2.87 2.87
60 60 60
Ni 0.000 0.000 0.000
N 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: LiCd2Pd.
The XRD pattern shows main peaks at: 23.6°(0.24), 27.3°(0.16), 38.9°(1.0), 46.0°(0.12), 56.3°(0.17), 63.6°(0.05), 70.5°(0.34), 83.6°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-193675 | 4.63 4.63 4.63
60 60 60
Li 0.000 0.000 0.000
Pd 0.500 0.500 0.500
Cd 0.250 0.250 0.250
Cd 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: ZrCu2HgS4.
The XRD pattern shows main peaks at: 16.0°(0.07), 17.8°(0.11), 22.5°(0.09), 27.7°(1.0), 29.0°(0.06), 32.0°(0.15), 36.0°(0.07), 36.8°(0.06), 46.1°(0.36), 54.4°(0.29), 54.9°(0.14), 57.2°(0.06), 66.8°(0.05), 74.2°(0.1), 85.1°(0.11).
Generate atomic structure description with lattice len... | JVASP-155481 | 6.81 6.81 5.60
65 65 48
Zr 0.500 0.500 0.500
Cu 0.250 0.250 0.250
Cu 0.750 0.750 0.750
Hg 0.000 0.000 0.000
S 0.401 0.878 0.122
S 0.599 0.122 0.401
S 0.878 0.401 0.599
S 0.122 0.599 0.878 |
Below is a description of a material. | The chemical formula is: LiTiS2.
The XRD pattern shows main peaks at: 15.3°(0.45), 29.5°(0.2), 35.8°(1.0), 51.5°(0.61), 64.3°(0.2), 75.9°(0.09), 86.8°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-50140 | 7.09 7.09 7.09
60 90 120
Li 0.000 0.000 0.000
Li 0.500 0.500 0.000
Li 0.000 0.500 0.000
Li 0.000 0.000 0.500
Ti 0.500 0.000 -0.000
Ti 0.500 0.000 0.500
Ti 0.500 0.500 0.500
Ti 0.000 0.500 0.500
S 0.747 0.005 0.747
S 0.747 0.495 0.258
S 0.747 0.495 0.747
S 0.258 0.005 0.747
S 0.253 0.505 0.253
S 0.742 0.995 0.253
S 0.25... |
Below is a description of a material. | The chemical formula is: Ce3Ga10Ni.
The XRD pattern shows main peaks at: 31.7°(0.45), 32.0°(1.0), 34.7°(0.07), 36.4°(0.07), 38.2°(0.12), 42.3°(0.44), 42.7°(0.3), 53.7°(0.17), 61.6°(0.19), 70.8°(0.1), 71.5°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-119764 | 4.23 4.28 15.16
90 90 90
Ce 0.000 0.500 0.500
Ce 0.000 0.000 0.248
Ce 0.000 0.000 0.752
Ga 0.500 0.500 0.185
Ga 0.500 0.500 0.815
Ga 0.500 0.500 0.343
Ga 0.500 0.500 0.657
Ga 0.500 0.000 0.419
Ga 0.500 0.000 0.581
Ga 0.500 0.000 0.086
Ga 0.500 0.000 0.914
Ga 0.000 0.500 0.085
Ga 0.000 0.500 0.915
Ni 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: HoCo5.
The XRD pattern shows main peaks at: 22.6°(0.08), 31.1°(0.61), 37.0°(0.33), 42.9°(0.38), 43.7°(1.0), 46.1°(0.28), 60.5°(0.17), 63.0°(0.15), 64.8°(0.22), 71.3°(0.24), 78.7°(0.15), 83.8°(0.14), 84.8°(0.07), 87.0°(0.07).
Generate atomic structure description with lattice lengths, angles, co... | JVASP-149259 | 4.86 4.86 3.94
90 90 119
Ho 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: Hf3Ga.
The XRD pattern shows main peaks at: 23.3°(0.08), 36.1°(1.0), 39.4°(0.19), 43.2°(0.28), 59.9°(0.23), 62.7°(0.1), 69.4°(0.13), 74.5°(0.24), 76.6°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-102497 | 5.45 5.45 5.45
134 134 65
Hf 0.750 0.250 0.500
Hf 0.250 0.750 0.500
Hf 0.500 0.500 0.000
Ga 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: InPPt5.
The XRD pattern shows main peaks at: 25.1°(0.08), 31.6°(0.18), 34.1°(0.43), 38.0°(0.25), 40.8°(1.0), 45.4°(0.43), 50.2°(0.06), 51.4°(0.05), 60.6°(0.26), 66.1°(0.16), 71.0°(0.08), 74.8°(0.18), 76.5°(0.09), 78.8°(0.12), 80.6°(0.27).
Generate atomic structure description with lattice lengt... | JVASP-35409 | 4.00 4.00 7.11
90 90 90
In 0.500 0.500 0.000
P 0.000 0.000 0.500
Pt 0.000 0.500 0.297
Pt 0.000 0.500 0.703
Pt 0.500 0.000 0.297
Pt 0.500 0.000 0.703
Pt 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Li2As.
The XRD pattern shows main peaks at: 22.9°(1.0), 29.2°(0.27), 37.4°(0.54), 40.2°(0.32), 46.8°(0.14), 50.5°(0.32), 56.1°(0.17), 63.4°(0.1), 65.6°(0.1), 71.3°(0.14), 73.1°(0.05), 75.2°(0.1), 79.8°(0.06), 80.6°(0.08).
Generate atomic structure description with lattice lengths, angles, coord... | JVASP-116249 | 4.48 3.06 4.48
90 119 90
Li -0.200 0.000 -0.200
Li 0.133 0.000 0.467
As 0.467 0.000 0.133 |
Below is a description of a material. | The chemical formula is: HoErRh2.
The XRD pattern shows main peaks at: 26.3°(0.06), 37.5°(1.0), 54.1°(0.18), 67.7°(0.35), 80.1°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-38542 | 4.79 4.79 4.79
60 60 60
Ho 0.750 0.750 0.750
Er 0.250 0.250 0.250
Rh 0.000 0.000 0.000
Rh 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: CaPI.
The XRD pattern shows main peaks at: 18.9°(0.78), 23.3°(0.76), 30.2°(0.5), 33.1°(0.9), 38.4°(0.12), 40.9°(1.0), 45.4°(0.16), 47.7°(0.11), 51.8°(0.11), 59.3°(0.35), 64.4°(0.25), 69.4°(0.1), 74.3°(0.17), 79.2°(0.14), 84.2°(0.12), 88.6°(0.11).
Generate atomic structure description with latti... | JVASP-136244 | 5.42 5.42 3.81
90 90 120
Ca 0.000 0.000 0.000
P 0.667 0.333 0.000
I 0.333 0.667 0.000 |
Below is a description of a material. | The chemical formula is: NpSnAu2.
The XRD pattern shows main peaks at: 35.8°(1.0), 51.5°(0.17), 64.3°(0.35), 75.9°(0.11), 86.8°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-169384 | 5.01 5.02 5.02
59 60 60
Np 0.250 0.250 0.250
Sn 0.750 0.750 0.750
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: MgC2.
The XRD pattern shows main peaks at: 29.0°(0.13), 32.1°(1.0), 36.2°(0.56), 37.0°(0.07), 46.1°(0.22), 49.2°(0.57), 55.4°(0.32), 60.0°(0.19), 74.8°(0.13), 78.9°(0.06), 79.5°(0.1), 85.8°(0.1), 87.7°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and at... | JVASP-8690 | 3.94 3.94 4.96
90 90 90
Mg 0.500 0.500 0.000
Mg 0.000 0.000 0.500
C 0.888 0.888 0.000
C 0.612 0.388 0.500
C 0.112 0.112 0.000
C 0.388 0.612 0.500 |
Below is a description of a material. | The chemical formula is: BeCu2GeSe4.
The XRD pattern shows main peaks at: 28.1°(1.0), 37.9°(0.06), 46.4°(0.46), 47.4°(0.2), 54.2°(0.14), 56.0°(0.26), 69.2°(0.06), 74.8°(0.1), 87.5°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-155357 | 6.83 6.83 5.43
66 66 46
Be 0.000 0.000 0.000
Cu 0.250 0.250 0.250
Cu 0.750 0.750 0.750
Ge 0.500 0.500 0.500
Se 0.889 0.356 0.111
Se 0.111 0.644 0.356
Se 0.356 0.889 0.644
Se 0.644 0.111 0.889 |
Below is a description of a material. | The chemical formula is: CeSi2Ir2.
The XRD pattern shows main peaks at: 17.5°(0.24), 23.3°(0.08), 30.7°(0.07), 34.4°(0.11), 35.6°(1.0), 44.0°(0.29), 47.7°(0.19), 57.8°(0.17), 63.8°(0.17), 75.4°(0.26).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-15380 | 4.11 4.11 5.83
110 110 90
Ce 0.000 0.000 0.000
Si 0.621 0.621 0.243
Si 0.379 0.379 0.757
Ir 0.750 0.250 0.500
Ir 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: RbVF3.
The XRD pattern shows main peaks at: 30.1°(1.0), 37.1°(0.25), 43.1°(0.48), 53.5°(0.4), 62.7°(0.29), 71.1°(0.18), 75.1°(0.07), 79.1°(0.1), 86.9°(0.21).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-25876 | 4.19 4.19 4.19
90 90 90
Rb 0.000 0.000 0.000
V 0.500 0.500 0.500
F 0.000 0.500 0.500
F 0.500 0.000 0.500
F 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: CaLaAu2.
The XRD pattern shows main peaks at: 20.8°(0.06), 24.1°(0.16), 34.3°(1.0), 42.3°(0.05), 49.3°(0.18), 61.4°(0.37), 72.3°(0.11), 82.5°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-166218 | 5.23 5.23 5.23
60 60 60
Ca 0.250 0.250 0.250
La 0.750 0.750 0.750
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: YbLu2Se4.
The XRD pattern shows main peaks at: 13.1°(0.21), 13.5°(0.14), 15.7°(0.11), 25.7°(0.11), 26.4°(0.07), 27.2°(0.1), 31.1°(1.0), 31.7°(0.46), 44.4°(0.34), 44.9°(0.19), 45.5°(0.33), 54.5°(0.1), 56.0°(0.2), 64.8°(0.12), 73.1°(0.14), 74.1°(0.16), 74.6°(0.07), 75.6°(0.08), 80.7°(0.06), 83.2°... | JVASP-104670 | 4.04 6.89 7.09
71 90 90
Yb 0.000 0.500 0.500
Lu 0.000 0.000 0.000
Lu 0.500 0.500 0.000
Se 0.500 0.760 0.242
Se 0.000 0.256 0.233
Se 0.500 0.240 0.758
Se 0.000 0.744 0.767 |
Below is a description of a material. | The chemical formula is: Tl3In.
The XRD pattern shows main peaks at: 32.3°(1.0), 46.4°(0.16), 57.7°(0.27), 67.7°(0.11), 77.1°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-111331 | 3.39 3.39 11.10
90 90 109
Tl 0.500 0.500 0.756
Tl 0.000 0.000 0.500
Tl 0.500 0.500 0.244
In 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Be4B.
The XRD pattern shows main peaks at: 29.5°(0.52), 37.1°(0.11), 40.2°(0.05), 46.2°(0.05), 54.8°(0.53), 55.2°(1.0), 59.6°(0.07), 63.4°(0.07), 79.1°(0.05), 81.1°(0.2), 85.2°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-24607 | 3.35 3.35 7.01
90 90 90
Be 0.500 0.500 0.000
Be 0.000 0.000 0.000
Be 0.000 0.500 0.481
Be 0.500 0.000 0.519
Be 0.000 0.000 0.305
Be 0.500 0.500 0.305
Be 0.500 0.500 0.695
Be 0.000 0.000 0.695
B 0.500 0.000 0.830
B 0.000 0.500 0.170 |
Below is a description of a material. | The chemical formula is: CaTe.
The XRD pattern shows main peaks at: 23.4°(0.12), 26.0°(1.0), 33.1°(0.45), 40.7°(0.36), 42.7°(0.25), 47.5°(0.11), 48.9°(0.17), 53.5°(0.11), 60.5°(0.09), 64.6°(0.16), 65.5°(0.14), 66.0°(0.07), 69.3°(0.11), 75.5°(0.09).
Generate atomic structure description with lattice lengths, angles, coo... | JVASP-86217 | 4.43 7.61 7.68
90 90 90
Ca 0.250 0.500 0.750
Ca 0.750 0.500 0.250
Ca 0.250 -0.000 0.750
Ca 0.750 0.000 0.250
Te 0.250 0.750 0.083
Te 0.750 0.250 0.917
Te 0.250 0.250 0.417
Te 0.750 0.750 0.583 |
Below is a description of a material. | The chemical formula is: Dy8Cl.
The XRD pattern shows main peaks at: 3.7°(0.06), 29.4°(0.28), 30.1°(0.29), 31.3°(0.12), 32.8°(1.0), 34.7°(0.6), 51.7°(0.38), 62.6°(0.16), 63.8°(0.11), 85.4°(0.13), 86.5°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-131723 | 3.54 3.54 24.03
90 90 119
Dy 0.000 0.000 0.205
Dy 0.667 0.333 0.091
Dy 0.667 0.333 0.324
Dy 0.667 0.333 0.559
Dy 0.333 0.667 0.441
Dy 0.333 0.667 0.676
Dy 0.333 0.667 0.909
Dy 0.000 0.000 0.795
Cl 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Sm2Al3Ge4.
The XRD pattern shows main peaks at: 16.3°(0.13), 19.3°(0.36), 23.9°(0.12), 29.3°(0.2), 32.3°(0.48), 32.9°(0.19), 33.7°(0.61), 35.4°(1.0), 35.9°(0.77), 37.1°(0.71), 38.1°(0.44), 47.0°(0.24), 50.9°(0.25), 51.7°(0.16), 56.0°(0.26), 59.3°(0.22), 60.7°(0.14), 66.1°(0.15), 67.5°(0.14), 72... | JVASP-144129 | 8.04 8.04 7.97
90 90 135
Sm 0.115 0.885 0.419
Sm 0.885 0.115 0.581
Sm 0.385 0.615 0.919
Sm 0.615 0.385 0.081
Al 0.535 0.965 0.250
Al 0.465 0.035 0.750
Al 0.965 0.535 0.750
Al 0.500 0.500 0.500
Al 0.000 0.000 0.000
Al 0.035 0.465 0.250
Ge 0.313 0.687 0.555
Ge 0.205 0.295 0.250
Ge 0.295 0.205 0.750
Ge 0.795 0.705 0.750
G... |
Below is a description of a material. | The chemical formula is: NdAgAu2.
The XRD pattern shows main peaks at: 25.3°(0.06), 36.1°(1.0), 51.9°(0.19), 64.8°(0.38), 76.5°(0.12), 87.6°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-41148 | 4.98 4.98 4.98
60 60 60
Nd 0.750 0.750 0.750
Ag 0.250 0.250 0.250
Au 0.000 0.000 0.000
Au 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: CeNdAl4.
The XRD pattern shows main peaks at: 19.2°(0.55), 31.6°(0.89), 37.2°(1.0), 45.2°(0.07), 56.2°(0.38), 65.9°(0.22).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-172792 | 5.67 5.67 5.67
90 60 120
Ce 0.500 0.750 0.750
Nd 0.000 0.000 0.000
Al 0.751 0.376 0.873
Al 0.249 0.376 0.376
Al 0.249 0.873 0.376
Al 0.751 0.376 0.376 |
Below is a description of a material. | The chemical formula is: HoMg2.
The XRD pattern shows main peaks at: 18.2°(0.65), 30.0°(0.99), 35.3°(1.0), 42.9°(0.09), 47.0°(0.15), 53.2°(0.41), 56.7°(0.29), 62.3°(0.22), 70.7°(0.16), 86.3°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-100984 | 5.96 5.96 5.96
60 60 60
Ho 0.750 0.750 0.750
Ho 0.500 0.500 0.500
Mg 0.125 0.625 0.125
Mg 0.125 0.125 0.125
Mg 0.625 0.125 0.125
Mg 0.125 0.125 0.625 |
Below is a description of a material. | The chemical formula is: Li2CeN2.
The XRD pattern shows main peaks at: 16.3°(0.85), 28.8°(0.47), 33.3°(1.0), 44.4°(0.45), 51.1°(0.22), 54.0°(0.22), 59.1°(0.19), 59.8°(0.06), 62.4°(0.17), 69.9°(0.11), 74.6°(0.09), 76.6°(0.07), 81.9°(0.07), 84.8°(0.13).
Generate atomic structure description with lattice lengths, angles, ... | JVASP-2736 | 3.57 3.57 5.44
90 90 120
Li 0.667 0.333 0.604
Li 0.333 0.667 0.396
Ce 0.000 0.000 0.000
N 0.667 0.333 0.229
N 0.333 0.667 0.771 |
Below is a description of a material. | The chemical formula is: YbMg2.
The XRD pattern shows main peaks at: 16.6°(0.5), 17.7°(0.28), 18.8°(0.33), 24.4°(0.27), 28.9°(0.9), 31.6°(1.0), 33.5°(0.18), 34.1°(0.85), 34.7°(0.29), 43.4°(0.22), 48.6°(0.24), 51.3°(0.17), 53.0°(0.49), 54.7°(0.22), 57.6°(0.25), 59.9°(0.19), 65.7°(0.21), 69.4°(0.2), 84.1°(0.13), 85.4°(0.... | JVASP-20392 | 6.17 6.17 10.00
90 90 120
Yb 0.667 0.333 0.061
Yb 0.333 0.667 0.561
Yb 0.333 0.667 0.939
Yb 0.667 0.333 0.439
Mg 0.169 0.338 0.250
Mg 0.338 0.169 0.750
Mg 0.831 0.169 0.750
Mg 0.169 0.831 0.250
Mg 0.000 0.000 0.000
Mg 0.000 0.000 0.500
Mg 0.831 0.662 0.750
Mg 0.662 0.831 0.250 |
Below is a description of a material. | The chemical formula is: BaMn2N2.
The XRD pattern shows main peaks at: 20.2°(0.16), 27.7°(1.0), 28.7°(0.14), 33.6°(0.14), 34.5°(0.37), 38.1°(0.22), 41.1°(0.08), 43.5°(0.1), 45.5°(0.11), 46.2°(0.27), 48.4°(0.07), 57.3°(0.07), 61.4°(0.22), 62.9°(0.15), 66.8°(0.11), 70.6°(0.05), 80.1°(0.06).
Generate atomic structure desc... | JVASP-107583 | 6.45 6.22 9.44
90 42 61
Ba 0.000 0.000 0.250
Ba 0.000 0.000 0.750
Mn 0.729 0.500 0.635
Mn 0.271 0.500 0.365
Mn 0.271 0.229 0.865
Mn 0.729 0.771 0.135
N 0.680 0.500 0.160
N 0.320 0.500 0.840
N 0.320 0.180 0.340
N 0.680 0.820 0.660 |
Below is a description of a material. | The chemical formula is: LaSmCr2O6.
The XRD pattern shows main peaks at: 22.9°(0.29), 25.6°(0.1), 32.6°(1.0), 34.3°(0.08), 39.9°(0.1), 40.5°(0.13), 46.8°(0.3), 48.2°(0.09), 52.7°(0.07), 53.6°(0.11), 57.7°(0.11), 58.5°(0.28), 64.2°(0.06), 68.3°(0.12), 78.2°(0.06), 87.5°(0.06).
Generate atomic structure description with ... | JVASP-133450 | 5.45 5.55 7.76
90 90 90
La 0.242 0.459 0.500
La 0.758 0.959 0.500
Sm 0.262 0.554 0.000
Sm 0.738 0.054 0.000
Cr 0.752 0.501 0.754
Cr 0.248 0.001 0.246
Cr 0.752 0.501 0.246
Cr 0.248 0.001 0.754
O 0.842 0.475 0.000
O 0.158 0.975 0.000
O 0.458 0.291 0.801
O 0.542 0.791 0.199
O 0.045 0.706 0.287
O 0.458 0.291 0.199
O 0.045 ... |
Below is a description of a material. | The chemical formula is: BeNb2Sb.
The XRD pattern shows main peaks at: 20.3°(0.14), 24.5°(0.24), 31.7°(0.1), 38.0°(1.0), 41.4°(0.19), 45.5°(0.3), 50.3°(0.06), 52.4°(0.07), 63.2°(0.21), 66.3°(0.09), 73.2°(0.14), 79.1°(0.21), 81.3°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and ... | JVASP-72208 | 5.20 5.20 5.20
134 134 65
Be 0.750 0.250 0.500
Nb 0.000 0.000 0.000
Nb 0.250 0.750 0.500
Sb 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: TiS2.
The XRD pattern shows main peaks at: 15.5°(0.62), 34.1°(1.0), 44.1°(0.58), 53.7°(0.31), 56.3°(0.09), 57.5°(0.2), 65.2°(0.18), 71.9°(0.12), 82.6°(0.07), 89.4°(0.25).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-323 | 3.41 3.41 5.72
90 90 120
Ti 0.000 0.000 0.000
S 0.333 0.667 0.248
S 0.667 0.333 0.752 |
Below is a description of a material. | The chemical formula is: YbK2RbV2O8.
The XRD pattern shows main peaks at: 11.6°(0.25), 17.2°(0.47), 20.8°(0.3), 29.2°(1.0), 30.1°(1.0), 38.4°(0.15), 39.6°(0.09), 42.4°(0.55), 47.7°(0.05), 51.1°(0.12), 52.8°(0.38), 53.4°(0.19), 57.4°(0.19), 60.4°(0.09), 62.5°(0.18).
Generate atomic structure description with lattice len... | JVASP-140802 | 5.94 5.94 7.62
90 90 120
Yb 0.000 0.000 0.500
K 0.333 0.667 0.671
K 0.667 0.333 0.329
Rb 0.000 0.000 0.000
V 0.333 0.667 0.236
V 0.667 0.333 0.764
O 0.333 0.667 0.012
O 0.667 0.333 0.988
O 0.176 0.824 0.318
O 0.824 0.176 0.682
O 0.176 0.352 0.318
O 0.824 0.648 0.682
O 0.648 0.824 0.318
O 0.352 0.176 0.682 |
Below is a description of a material. | The chemical formula is: DyP2Pd2.
The XRD pattern shows main peaks at: 23.4°(0.23), 34.9°(0.24), 35.8°(1.0), 36.3°(0.16), 44.1°(0.33), 51.2°(0.11), 58.3°(0.15), 64.1°(0.11), 65.0°(0.13), 75.6°(0.21).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-103656 | 5.74 5.74 5.74
138 138 60
Dy 0.000 0.000 0.000
P 0.389 0.389 -0.000
P 0.611 0.611 0.000
Pd 0.750 0.250 0.500
Pd 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: LiCd2Ni.
The XRD pattern shows main peaks at: 24.3°(0.11), 28.2°(0.38), 40.3°(1.0), 49.9°(0.1), 58.2°(0.16), 65.9°(0.09), 73.2°(0.33), 87.0°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-99537 | 4.48 4.48 4.48
60 60 60
Li 0.500 0.500 0.500
Cd 0.750 0.750 0.750
Cd 0.250 0.250 0.250
Ni 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: HfScCo.
The XRD pattern shows main peaks at: 25.1°(0.64), 29.1°(0.41), 41.6°(1.0), 49.2°(0.33), 51.6°(0.11), 60.3°(0.16), 66.4°(0.13), 68.3°(0.14), 75.9°(0.31), 81.5°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-182860 | 4.34 4.34 4.34
60 60 60
Hf 0.750 0.750 0.750
Sc 0.250 0.250 0.250
Co 0.000 -0.000 0.000 |
Below is a description of a material. | The chemical formula is: CdCuSb.
The XRD pattern shows main peaks at: 23.5°(0.45), 27.2°(0.08), 38.9°(1.0), 45.9°(0.21), 56.1°(0.16), 70.4°(0.33), 83.4°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-16307 | 4.63 4.63 4.63
60 60 60
Cd 0.250 0.250 0.250
Cu 0.500 0.500 0.500
Sb 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Cu2S.
The XRD pattern shows main peaks at: 25.0°(0.08), 25.6°(0.25), 28.2°(1.0), 28.8°(0.13), 35.6°(0.11), 36.4°(0.94), 45.7°(0.2), 46.8°(0.24), 47.7°(0.27), 51.2°(0.47), 52.6°(0.51), 53.1°(0.12), 53.7°(0.07), 60.3°(0.13), 70.8°(0.06), 75.3°(0.09), 77.6°(0.09).
Generate atomic structure descrip... | JVASP-107349 | 3.97 3.97 7.13
89 89 118
Cu -0.000 0.500 0.500
Cu 0.500 -0.000 -0.000
Cu 0.019 0.981 0.250
Cu 0.981 0.019 0.750
S 0.371 0.629 0.250
S 0.629 0.371 0.750 |
Below is a description of a material. | The chemical formula is: ScHPd2Pt.
The XRD pattern shows main peaks at: 22.5°(0.2), 30.8°(0.19), 38.5°(1.0), 42.3°(0.19), 46.0°(0.3), 48.4°(0.06), 56.4°(0.07), 64.2°(0.22), 67.0°(0.09), 74.8°(0.14), 80.1°(0.23), 82.5°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-192855 | 3.95 4.27 3.95
90 90 90
Sc 0.000 0.500 0.000
H 0.000 0.000 0.000
Pd 0.000 0.000 0.500
Pd 0.500 0.000 0.000
Pt 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Hg3C.
The XRD pattern shows main peaks at: 21.0°(0.09), 23.1°(0.32), 29.2°(0.09), 36.3°(1.0), 38.1°(0.08), 41.7°(0.36), 42.9°(0.16), 47.2°(0.05), 48.2°(0.09), 57.8°(0.06), 60.5°(0.13), 61.4°(0.22), 72.6°(0.3), 74.2°(0.14), 77.0°(0.12).
Generate atomic structure description with lattice lengths,... | JVASP-39250 | 5.21 5.21 5.21
130 130 71
Hg 0.750 0.250 0.500
Hg 0.250 0.750 0.500
Hg 0.500 0.500 0.000
C 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: BaSn2Ir2.
The XRD pattern shows main peaks at: 20.6°(0.33), 26.9°(0.29), 31.1°(0.68), 31.6°(1.0), 38.5°(0.89), 43.0°(0.56), 45.9°(0.44), 50.3°(0.39), 55.5°(0.34), 61.4°(0.36), 62.8°(0.05), 65.3°(0.26), 68.9°(0.07), 72.7°(0.25), 74.8°(0.11), 81.7°(0.2), 82.4°(0.11).
Generate atomic structure des... | JVASP-156093 | 4.68 4.68 6.38
111 111 89
Ba 0.000 0.000 0.000
Sn 0.750 0.250 0.500
Sn 0.250 0.750 0.500
Ir 0.616 0.616 0.232
Ir 0.384 0.384 0.768 |
Below is a description of a material. | The chemical formula is: TmNiSn.
The XRD pattern shows main peaks at: 23.3°(0.1), 26.6°(0.08), 32.6°(0.06), 33.6°(0.41), 34.8°(1.0), 37.7°(0.11), 40.4°(0.18), 41.0°(0.45), 54.7°(0.18), 56.8°(0.06), 57.9°(0.06), 58.8°(0.12), 62.4°(0.07), 66.9°(0.17), 68.4°(0.06), 70.4°(0.11), 74.4°(0.07), 75.4°(0.09), 77.3°(0.08).
Gener... | JVASP-145092 | 4.42 7.00 7.61
90 90 90
Tm 0.250 0.987 0.300
Tm 0.250 0.487 0.200
Tm 0.750 0.013 0.700
Tm 0.750 0.513 0.800
Ni 0.250 0.206 0.914
Ni 0.250 0.706 0.586
Ni 0.750 0.794 0.086
Ni 0.750 0.294 0.414
Sn 0.250 0.311 0.587
Sn 0.250 0.811 0.913
Sn 0.750 0.689 0.413
Sn 0.750 0.189 0.087 |
Below is a description of a material. | The chemical formula is: U2Si5Ru2Rh.
The XRD pattern shows main peaks at: 18.0°(0.16), 23.4°(0.31), 23.7°(0.4), 24.4°(0.21), 28.2°(0.11), 30.3°(0.29), 31.5°(0.28), 34.0°(0.1), 34.7°(0.56), 35.4°(1.0), 36.1°(0.35), 36.5°(0.11), 37.0°(0.18), 41.1°(0.11), 44.3°(0.52), 51.1°(0.12), 56.7°(0.11), 57.7°(0.12), 59.1°(0.13), 65... | JVASP-176383 | 5.68 8.15 8.15
92 109 109
U 0.233 0.867 0.591
U 0.267 0.409 0.133
U 0.767 0.133 0.409
U 0.733 0.591 0.867
Si 0.167 0.064 0.266
Si 0.333 0.734 0.936
Si 0.833 0.936 0.734
Si 0.667 0.266 0.064
Si 0.250 0.513 0.487
Si 0.750 0.487 0.513
Si 0.250 0.205 0.795
Si 0.750 0.795 0.205
Si 0.250 0.778 0.222
Si 0.750 0.222 0.778
Ru 0... |
Below is a description of a material. | The chemical formula is: Al3Pd5.
The XRD pattern shows main peaks at: 23.5°(0.15), 27.6°(0.09), 28.7°(0.14), 30.2°(0.12), 32.3°(0.28), 37.6°(0.12), 39.9°(0.37), 40.7°(1.0), 42.0°(0.28), 44.5°(0.37), 48.0°(0.19), 51.2°(0.06), 55.0°(0.06), 62.8°(0.17), 67.5°(0.13), 72.5°(0.08), 76.0°(0.07), 79.4°(0.16), 88.5°(0.05).
Gene... | JVASP-154652 | 4.07 5.43 10.58
90 90 90
Al 0.000 0.000 0.000
Al 0.000 0.500 0.500
Al 0.500 0.158 0.643
Al 0.500 0.842 0.357
Al 0.500 0.342 0.143
Al 0.500 0.658 0.857
Pd 0.500 0.186 0.895
Pd 0.500 0.814 0.105
Pd 0.500 0.314 0.395
Pd 0.500 0.686 0.605
Pd 0.000 0.000 0.500
Pd 0.000 0.500 0.000
Pd 0.000 0.900 0.769
Pd 0.000 0.100 0.231
P... |
Below is a description of a material. | The chemical formula is: MoN.
The XRD pattern shows main peaks at: 33.2°(0.85), 47.7°(1.0), 59.3°(0.2), 69.7°(0.15), 79.4°(0.26), 88.9°(0.32).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-127490 | 2.70 2.70 2.70
90 90 90
Mo 0.500 0.500 0.500
N 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: YNi4Ir.
The XRD pattern shows main peaks at: 22.4°(0.16), 25.9°(0.07), 37.0°(0.56), 43.7°(1.0), 45.7°(0.19), 66.7°(0.19), 71.3°(0.3), 78.8°(0.21).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-178933 | 4.86 4.86 4.86
60 60 60
Y -0.000 -0.000 -0.000
Ni 0.376 0.376 0.871
Ni 0.871 0.376 0.376
Ni 0.376 0.376 0.376
Ni 0.376 0.871 0.376
Ir 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: InXe.
The XRD pattern shows main peaks at: 25.1°(0.32), 27.4°(1.0), 34.7°(0.25), 43.3°(0.27), 45.7°(0.23), 49.8°(0.09), 56.6°(0.13), 57.8°(0.24), 63.6°(0.09), 69.9°(0.13), 71.3°(0.06), 74.5°(0.06), 88.9°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and ... | JVASP-127717 | 3.66 3.66 7.10
90 90 90
In 0.000 0.000 0.000
Xe 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: ErTlS2.
The XRD pattern shows main peaks at: 23.8°(0.33), 27.1°(0.7), 30.5°(1.0), 41.5°(0.42), 45.7°(0.33), 48.4°(0.19), 52.1°(0.27), 53.9°(0.11), 55.9°(0.19), 63.4°(0.12), 64.0°(0.09), 68.9°(0.16), 74.9°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-1465 | 7.83 7.83 7.83
29 29 29
Er 0.000 0.000 0.000
Tl 0.500 0.500 0.500
S 0.732 0.732 0.732
S 0.268 0.268 0.268 |
Below is a description of a material. | The chemical formula is: AlI2.
The XRD pattern shows main peaks at: 22.1°(1.0), 22.4°(0.63), 23.1°(0.57), 31.7°(0.46), 32.4°(0.76), 39.5°(0.8), 45.0°(0.14), 45.7°(0.14), 47.2°(0.12), 50.9°(0.12), 51.3°(0.27), 51.8°(0.12), 52.7°(0.24), 56.6°(0.27), 57.0°(0.18), 57.9°(0.18), 66.1°(0.09), 72.3°(0.13), 79.4°(0.11), 82.5°(0... | JVASP-136882 | 3.85 4.03 7.94
90 90 90
Al 0.467 0.000 0.000
I -0.033 0.000 0.745
I -0.033 0.000 0.255 |
Below is a description of a material. | The chemical formula is: ScCl.
The XRD pattern shows main peaks at: 10.0°(0.15), 20.1°(0.23), 29.9°(0.09), 30.5°(0.27), 34.3°(1.0), 38.2°(0.29), 40.9°(0.1), 45.6°(0.24), 48.4°(0.09), 52.7°(0.3), 54.4°(0.06), 64.4°(0.13), 68.8°(0.11), 72.2°(0.05), 87.8°(0.11).
Generate atomic structure description with lattice lengths, ... | JVASP-5359 | 9.05 9.05 9.05
22 22 22
Sc 0.786 0.786 0.786
Sc 0.214 0.214 0.214
Cl 0.609 0.609 0.609
Cl 0.391 0.391 0.391 |
Below is a description of a material. | The chemical formula is: ZnRu2W.
The XRD pattern shows main peaks at: 14.6°(0.17), 32.5°(0.11), 41.3°(0.52), 41.8°(1.0), 59.8°(0.17), 61.3°(0.08), 75.6°(0.34), 76.6°(0.16), 89.7°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-194140 | 3.09 3.09 6.05
90 90 90
Ru 0.000 0.000 0.000
Ru 0.000 0.000 0.500
Zn 0.500 0.500 0.750
W 0.500 0.500 0.250 |
Below is a description of a material. | The chemical formula is: GeC3.
The XRD pattern shows main peaks at: 20.9°(0.51), 31.2°(0.51), 37.9°(1.0), 42.5°(0.12), 44.7°(0.2), 49.8°(0.31), 53.7°(0.23), 63.4°(0.29), 65.1°(0.14), 69.2°(0.09), 73.9°(0.08), 74.7°(0.13), 77.8°(0.24).
Generate atomic structure description with lattice lengths, angles, coordinates and a... | JVASP-114971 | 4.05 5.13 2.87
123 134 66
Ge 0.611 0.387 0.520
C 0.111 0.887 0.020
C 0.611 0.089 0.722
C 0.111 0.685 0.318 |
Below is a description of a material. | The chemical formula is: PrMg2Ni9.
The XRD pattern shows main peaks at: 11.2°(0.34), 25.8°(0.21), 28.2°(0.08), 33.9°(0.12), 36.7°(0.21), 37.0°(0.15), 38.5°(0.15), 42.8°(0.28), 43.5°(1.0), 46.0°(0.27), 46.9°(0.16), 50.8°(0.07), 58.4°(0.08), 61.4°(0.07), 70.8°(0.2), 78.0°(0.17).
Generate atomic structure description with... | JVASP-86122 | 8.39 8.39 8.39
33 33 33
Pr 0.000 0.000 0.000
Mg 0.855 0.855 0.855
Mg 0.145 0.145 0.145
Ni 0.587 0.083 0.587
Ni 0.413 0.917 0.413
Ni 0.666 0.666 0.666
Ni 0.587 0.587 0.083
Ni 0.917 0.413 0.413
Ni 0.334 0.334 0.334
Ni 0.500 0.500 0.500
Ni 0.413 0.413 0.917
Ni 0.083 0.587 0.587 |
Below is a description of a material. | The chemical formula is: NaAcHg2.
The XRD pattern shows main peaks at: 19.9°(0.23), 23.0°(0.08), 32.8°(1.0), 38.6°(0.13), 47.0°(0.21), 51.5°(0.06), 58.5°(0.41), 68.7°(0.12), 78.2°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-41124 | 5.47 5.47 5.47
60 60 60
Na 0.750 0.750 0.750
Ac 0.250 0.250 0.250
Hg 0.000 0.000 0.000
Hg 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Mo3Se4S2.
The XRD pattern shows main peaks at: 4.5°(0.45), 9.1°(0.07), 13.6°(1.0), 31.5°(0.6), 33.8°(0.11), 37.4°(0.63), 38.3°(0.65), 56.0°(0.42), 69.3°(0.09), 69.9°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-176041 | 3.28 3.28 19.61
94 84 120
Mo 0.444 0.561 0.014
Mo 0.231 0.785 0.684
Mo 0.659 0.321 0.343
Se 0.294 0.682 0.430
Se 0.595 0.421 0.598
Se 0.532 0.483 0.771
Se 0.357 0.625 0.256
S 0.806 0.201 -0.065
S 0.749 0.254 0.093 |
Below is a description of a material. | The chemical formula is: TmClO.
The XRD pattern shows main peaks at: 10.7°(1.0), 24.2°(0.53), 26.4°(0.18), 30.7°(0.23), 32.5°(0.7), 34.4°(0.3), 39.4°(0.1), 40.9°(0.09), 44.0°(0.19), 45.4°(0.06), 46.7°(0.24), 49.3°(0.08), 52.1°(0.06), 55.7°(0.36), 59.2°(0.08), 60.5°(0.05), 63.9°(0.06), 68.1°(0.1), 81.6°(0.06), 84.7°(0.0... | JVASP-30183 | 4.12 8.25 3.70
90 90 90
Tm 0.000 0.125 0.500
Tm 0.500 0.875 0.000
Cl 0.000 0.353 0.000
Cl 0.500 0.647 0.500
O 0.000 0.967 0.000
O 0.500 0.033 0.500 |
Below is a description of a material. | The chemical formula is: TiMnW.
The XRD pattern shows main peaks at: 18.9°(0.42), 31.2°(0.5), 38.4°(0.08), 41.7°(1.0), 42.5°(0.53), 46.9°(0.18), 57.9°(0.11), 58.6°(0.1), 59.1°(0.08), 61.7°(0.17), 65.1°(0.06), 70.8°(0.1), 75.4°(0.16), 77.2°(0.34), 89.7°(0.07).
Generate atomic structure description with lattice lengths, ... | JVASP-188159 | 3.01 3.01 5.15
106 106 90
Mn 0.669 0.669 0.338
W 0.323 0.323 0.646
Ti 0.008 0.008 0.016 |
Below is a description of a material. | The chemical formula is: HoB2Ru2.
The XRD pattern shows main peaks at: 24.3°(0.58), 37.1°(0.28), 37.4°(1.0), 39.4°(0.23), 45.5°(0.34), 52.2°(0.15), 55.2°(0.07), 60.1°(0.12), 61.7°(0.25), 66.3°(0.1), 70.1°(0.19), 74.2°(0.05), 78.7°(0.23), 79.9°(0.12).
Generate atomic structure description with lattice lengths, angles, c... | JVASP-155537 | 5.38 5.38 5.38
136 136 63
Ho 0.000 0.000 0.000
B 0.327 0.327 0.000
B 0.673 0.673 0.000
Ru 0.750 0.250 0.500
Ru 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: Mn3NiO8.
The XRD pattern shows main peaks at: 19.1°(1.0), 37.1°(0.3), 38.8°(0.09), 45.2°(0.59), 65.5°(0.14), 66.1°(0.15), 83.2°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-147154 | 5.65 5.65 5.65
60 60 60
Mn 0.000 0.500 0.000
Mn 0.000 -0.000 0.500
Mn 0.500 -0.000 -0.000
Ni 0.000 0.000 0.000
O 0.764 0.764 0.210
O 0.210 0.764 0.764
O 0.764 0.210 0.764
O 0.762 0.762 0.762
O 0.238 0.238 0.238
O 0.236 0.790 0.236
O 0.790 0.236 0.236
O 0.236 0.236 0.790 |
Below is a description of a material. | The chemical formula is: Ho2Cr2C3.
The XRD pattern shows main peaks at: 20.8°(0.29), 27.6°(0.4), 28.0°(0.38), 33.6°(0.54), 34.0°(1.0), 35.3°(0.23), 36.0°(0.33), 38.5°(0.88), 42.3°(0.26), 42.6°(0.15), 44.8°(0.1), 53.3°(0.21), 54.5°(0.2), 56.8°(0.16), 58.7°(0.09), 62.2°(0.09), 65.5°(0.12), 66.2°(0.12), 67.0°(0.1), 69.2°(... | JVASP-16059 | 3.37 5.46 5.53
105 90 107
Ho 0.606 0.212 0.817
Ho 0.394 0.788 0.183
Cr 0.843 0.687 0.612
Cr 0.157 0.313 0.388
C 0.285 0.571 0.731
C 0.715 0.429 0.269
C 0.000 0.000 0.500 |
Below is a description of a material. | The chemical formula is: Nd3Rh2.
The XRD pattern shows main peaks at: 12.7°(0.14), 29.0°(0.36), 31.3°(0.6), 31.9°(0.36), 32.7°(1.0), 35.1°(0.68), 37.7°(0.69), 38.0°(0.65), 50.8°(0.21), 55.2°(0.16), 56.8°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-145115 | 7.58 7.58 7.58
71 71 71
Nd 0.000 0.000 0.000
Nd 0.797 0.797 0.797
Nd 0.203 0.203 0.203
Nd 0.164 0.393 0.664
Nd 0.664 0.164 0.393
Nd 0.393 0.664 0.164
Nd 0.836 0.607 0.336
Nd 0.336 0.836 0.607
Nd 0.607 0.336 0.836
Rh 0.957 0.164 0.590
Rh 0.590 0.957 0.164
Rh 0.164 0.590 0.957
Rh 0.043 0.836 0.410
Rh 0.410 0.043 0.836
Rh... |
Below is a description of a material. | The chemical formula is: Te2MoW2Se4.
The XRD pattern shows main peaks at: 4.3°(0.05), 13.0°(1.0), 17.4°(0.12), 30.4°(0.48), 32.1°(0.11), 33.8°(0.09), 36.0°(0.52), 36.8°(0.73), 38.6°(0.08), 53.9°(0.46), 55.7°(0.15), 66.5°(0.09), 67.1°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates... | JVASP-28489 | 3.40 3.40 20.50
85 90 119
Te 0.809 0.617 0.922
Te 0.747 0.493 0.106
Mo 0.445 0.888 0.014
W 0.225 0.451 0.674
W 0.664 0.328 0.353
Se 0.303 0.606 0.434
Se 0.585 0.172 0.593
Se 0.531 0.063 0.755
Se 0.358 0.716 0.272 |
Below is a description of a material. | The chemical formula is: ZrSiMo.
The XRD pattern shows main peaks at: 25.1°(0.15), 30.3°(0.13), 35.1°(0.47), 35.8°(1.0), 36.1°(0.69), 37.8°(0.47), 40.2°(0.25), 41.6°(0.25), 42.4°(0.08), 43.7°(0.23), 44.7°(0.28), 51.6°(0.26), 62.2°(0.18), 64.0°(0.15), 66.0°(0.17), 67.4°(0.1), 70.6°(0.14), 73.7°(0.13), 85.1°(0.09), 87.0°... | JVASP-152194 | 3.54 6.99 8.24
90 90 90
Zr 0.250 0.044 0.333
Zr 0.750 0.456 0.833
Zr 0.750 0.956 0.667
Zr 0.250 0.544 0.167
Si 0.250 0.255 0.638
Si 0.750 0.245 0.138
Si 0.750 0.745 0.362
Si 0.250 0.755 0.862
Mo 0.250 0.131 0.939
Mo 0.750 0.369 0.439
Mo 0.750 0.869 0.061
Mo 0.250 0.631 0.561 |
Below is a description of a material. | The chemical formula is: BaEuO3.
The XRD pattern shows main peaks at: 28.6°(1.0), 40.9°(0.29), 50.6°(0.39), 59.2°(0.19), 67.0°(0.18), 74.4°(0.06), 81.6°(0.21).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-101540 | 4.42 4.42 4.42
90 90 90
Ba 0.000 0.000 0.000
Eu 0.500 0.500 0.500
O 0.500 0.500 0.000
O 0.500 0.000 0.500
O 0.000 0.500 0.500 |
Below is a description of a material. | The chemical formula is: YPd2.
The XRD pattern shows main peaks at: 21.2°(0.21), 24.9°(0.28), 32.1°(0.15), 38.8°(1.0), 39.5°(0.09), 43.1°(0.2), 46.0°(0.32), 51.2°(0.08), 53.0°(0.06), 64.9°(0.22), 67.1°(0.1), 76.1°(0.14), 80.3°(0.24), 83.2°(0.11).
Generate atomic structure description with lattice lengths, angles, coord... | JVASP-78514 | 3.94 3.94 5.04
113 113 90
Y 0.000 0.000 0.000
Pd 0.250 0.750 0.500
Pd 0.750 0.250 0.500 |
Below is a description of a material. | The chemical formula is: CdPCl.
The XRD pattern shows main peaks at: 10.8°(1.0), 21.8°(0.06), 28.3°(0.81), 30.4°(0.39), 32.9°(0.22), 36.0°(0.09), 40.5°(0.3), 42.0°(0.15), 43.9°(0.34), 53.1°(0.21), 53.5°(0.16), 58.6°(0.09), 59.8°(0.05), 61.6°(0.11), 66.3°(0.12), 67.4°(0.07), 68.8°(0.08), 76.0°(0.12), 83.3°(0.09).
Genera... | JVASP-136302 | 3.15 3.15 8.17
90 90 90
Cd 0.000 0.000 0.001
P 0.000 0.000 0.703
Cl 0.000 0.000 0.287 |
Below is a description of a material. | The chemical formula is: Li3MnCoO5.
The XRD pattern shows main peaks at: 3.6°(1.0), 7.3°(0.22), 10.9°(0.06), 18.3°(0.45), 37.2°(0.16), 66.0°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-122403 | 2.83 2.83 24.31
86 86 60
Li 0.302 0.302 0.094
Li 0.898 0.898 0.309
Li 0.499 0.499 0.501
Li 0.099 0.099 0.703
Li 0.702 0.702 0.894
Li 0.199 0.199 0.403
Mn 0.002 0.002 0.995
Mn 0.601 0.601 0.193
Co 0.400 0.400 0.800
Co 0.798 0.798 0.608
O 0.748 0.748 0.759
O 0.653 0.653 0.040
O 0.254 0.254 0.235
O 0.847 0.847 0.458
O 0.4... |
Below is a description of a material. | The chemical formula is: BeGa2W.
The XRD pattern shows main peaks at: 24.6°(0.52), 32.8°(0.52), 41.4°(1.0), 43.6°(0.22), 50.4°(0.28), 56.8°(0.11), 61.4°(0.17), 68.8°(0.22), 74.3°(0.1), 78.6°(0.15), 88.5°(0.22).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-71864 | 3.62 3.62 4.15
90 90 90
Be 0.000 0.000 0.500
Ga 0.000 0.500 0.000
Ga 0.500 0.000 0.000
W 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: ZrCuF6.
The XRD pattern shows main peaks at: 22.0°(1.0), 31.3°(0.29), 44.9°(0.25), 50.5°(0.38), 65.3°(0.14), 69.8°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-110516 | 5.71 5.71 5.71
60 60 59
Zr 0.000 0.000 0.000
Cu 0.500 0.500 0.500
F 0.250 0.750 0.750
F 0.750 0.250 0.750
F 0.250 0.250 0.750
F 0.250 0.750 0.250
F 0.750 0.250 0.250
F 0.750 0.750 0.250 |
Below is a description of a material. | The chemical formula is: Ca.
The XRD pattern shows main peaks at: 28.4°(1.0), 32.4°(0.33), 33.9°(0.15), 46.4°(0.11), 47.6°(0.21), 55.3°(0.26), 57.4°(0.11), 58.7°(0.1), 76.8°(0.09), 87.0°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-148468 | 3.83 3.83 3.83
118 118 92
Ca 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: ScAlO3.
The XRD pattern shows main peaks at: 27.6°(0.25), 34.1°(0.21), 35.0°(1.0), 36.2°(0.21), 41.5°(0.13), 42.2°(0.18), 44.2°(0.11), 45.1°(0.18), 46.4°(0.1), 50.2°(0.25), 50.6°(0.35), 51.3°(0.12), 52.2°(0.15), 57.2°(0.23), 61.7°(0.1), 62.1°(0.16), 63.5°(0.15), 64.4°(0.37), 68.8°(0.09), 74.1°(... | JVASP-21226 | 4.96 5.26 7.27
90 90 90
Sc 0.478 0.431 0.750
Sc 0.978 0.069 0.250
Sc 0.022 0.931 0.750
Sc 0.522 0.569 0.250
Al 0.500 0.000 0.000
Al 0.000 0.500 0.000
Al 0.000 0.500 0.500
Al 0.500 0.000 0.500
O 0.622 0.045 0.750
O 0.122 0.455 0.250
O 0.191 0.195 0.562
O 0.691 0.305 0.438
O 0.309 0.695 0.938
O 0.691 0.305 0.062
O 0.809 ... |
Below is a description of a material. | The chemical formula is: HoCuS2.
The XRD pattern shows main peaks at: 13.3°(0.14), 15.6°(0.42), 24.6°(1.0), 26.2°(0.24), 26.7°(0.23), 27.5°(0.95), 28.5°(0.13), 33.6°(0.63), 35.2°(0.17), 37.3°(0.13), 39.1°(0.8), 39.5°(0.42), 43.4°(0.16), 43.9°(0.18), 46.0°(0.33), 49.9°(0.16), 52.8°(0.25), 61.1°(0.21), 62.2°(0.22), 65.7°... | JVASP-10975 | 3.95 6.26 13.34
90 90 90
Ho 0.250 0.501 0.134
Ho 0.750 0.499 0.866
Ho 0.750 0.001 0.366
Ho 0.250 -0.001 0.634
Cu 0.250 0.122 0.953
Cu 0.750 0.622 0.547
Cu 0.750 0.878 0.047
Cu 0.250 0.378 0.453
S 0.250 0.263 0.793
S 0.750 0.737 0.207
S 0.750 0.763 0.707
S 0.250 0.237 0.293
S 0.250 0.744 0.960
S 0.250 0.756 0.460
S 0.75... |
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