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: Na3TiCl6.
The XRD pattern shows main peaks at: 15.5°(0.59), 16.3°(0.44), 18.4°(0.65), 26.0°(0.36), 30.0°(0.98), 30.7°(0.95), 31.3°(1.0), 33.3°(0.55), 34.2°(0.6), 35.2°(0.18), 36.9°(0.39), 37.3°(0.54), 38.5°(0.24), 40.7°(0.5), 41.7°(0.91), 44.3°(0.15), 45.2°(0.39), 47.1°(0.62), 53.7°(0.26), 55.6... | JVASP-59050 | 6.58 7.07 11.71
90 123 90
Na 0.287 0.090 0.752
Na 0.713 0.590 0.748
Na 0.500 0.000 0.500
Na 0.500 0.500 -0.000
Na 0.713 0.910 0.248
Na 0.287 0.410 0.252
Ti 0.000 0.500 0.500
Ti 0.000 0.000 0.000
Cl 0.095 0.047 0.232
Cl 0.905 0.547 0.268
Cl 0.769 0.205 0.429
Cl 0.231 0.705 0.071
Cl 0.231 0.795 0.571
Cl 0.632 0.674 0.435... |
Below is a description of a material. | The chemical formula is: SbBr3.
The XRD pattern shows main peaks at: 14.0°(0.75), 17.8°(0.37), 22.8°(0.42), 24.0°(0.31), 27.0°(0.83), 28.6°(1.0), 29.7°(0.38), 30.0°(0.25), 30.4°(0.9), 31.4°(0.92), 33.6°(0.38), 34.4°(0.31), 35.1°(0.69), 36.1°(0.24), 36.7°(0.48), 37.3°(0.4), 49.1°(0.22), 52.2°(0.4), 53.5°(0.47), 55.5°(0.... | JVASP-164016 | 4.22 9.96 12.61
90 90 90
Sb 0.204 0.500 0.482
Sb 0.704 0.000 0.518
Sb 0.796 -0.000 0.018
Sb 0.296 0.500 0.982
Br 0.539 0.317 0.384
Br 0.039 0.183 0.616
Br 0.461 0.817 0.116
Br 0.961 0.683 0.884
Br 0.967 0.500 0.155
Br 0.467 0.000 0.845
Br 0.033 -0.000 0.345
Br 0.533 0.500 0.655
Br 0.961 0.317 0.884
Br 0.461 0.183 0.116... |
Below is a description of a material. | The chemical formula is: GaAs.
The XRD pattern shows main peaks at: 25.5°(1.0), 26.7°(0.53), 28.8°(0.63), 37.3°(0.35), 44.9°(0.87), 48.5°(0.81), 52.3°(0.13), 53.0°(0.48), 54.3°(0.1), 59.7°(0.06), 68.3°(0.3), 71.4°(0.1), 76.5°(0.21), 82.8°(0.13), 85.5°(0.34), 89.0°(0.12).
Generate atomic structure description with latti... | JVASP-8185 | 4.04 4.04 6.67
90 90 119
Ga 0.667 0.333 -0.000
Ga 0.333 0.667 0.500
As 0.667 0.333 0.626
As 0.333 0.667 0.126 |
Below is a description of a material. | The chemical formula is: Mn3Au.
The XRD pattern shows main peaks at: 8.4°(0.1), 16.8°(0.21), 25.0°(0.07), 33.9°(0.18), 34.6°(0.35), 42.4°(1.0), 48.1°(0.36), 51.3°(0.06), 60.1°(0.13), 70.3°(0.1), 80.8°(0.07), 85.7°(0.25).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-61617 | 3.79 3.79 10.58
90 90 90
Mn 0.500 0.500 0.000
Mn 0.500 0.500 0.301
Mn 0.500 0.500 0.699
Mn 0.000 0.000 0.302
Mn 0.000 0.000 0.698
Mn 0.500 0.000 0.824
Mn 0.000 0.500 0.824
Mn 0.500 0.000 0.176
Mn 0.000 0.500 0.176
Au 0.000 0.000 0.000
Au 0.500 0.000 0.500
Au 0.000 0.500 0.500 |
Below is a description of a material. | The chemical formula is: RbBiCl2.
The XRD pattern shows main peaks at: 13.9°(0.18), 19.8°(0.16), 24.2°(0.64), 28.1°(1.0), 31.5°(0.11), 34.5°(0.09), 40.1°(0.78), 42.7°(0.05), 47.4°(0.35), 49.7°(0.29), 54.0°(0.05), 58.1°(0.1), 63.8°(0.16), 65.7°(0.31), 72.9°(0.25), 78.1°(0.09), 86.6°(0.08).
Generate atomic structure desc... | JVASP-134159 | 4.49 4.49 6.37
90 90 90
Rb 0.500 0.500 0.502
Bi 0.000 0.000 0.002
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: BaLaCo2O6.
The XRD pattern shows main peaks at: 22.8°(0.1), 32.7°(1.0), 40.2°(0.21), 46.6°(0.32), 47.2°(0.14), 58.1°(0.36), 58.5°(0.19), 68.0°(0.09), 68.5°(0.17), 77.5°(0.13), 82.1°(0.05), 87.0°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom type... | JVASP-109811 | 3.90 3.90 7.70
90 90 90
Ba 0.000 0.000 0.500
La 0.000 0.000 0.000
Co 0.500 0.500 0.749
Co 0.500 0.500 0.251
O 0.500 0.500 0.500
O 0.500 0.000 0.770
O 0.000 0.500 0.770
O 0.500 0.000 0.230
O 0.500 0.500 0.000
O 0.000 0.500 0.230 |
Below is a description of a material. | The chemical formula is: YMgS.
The XRD pattern shows main peaks at: 11.1°(0.48), 22.2°(0.16), 25.2°(1.0), 27.6°(0.26), 33.8°(0.22), 36.0°(0.35), 37.7°(0.11), 42.5°(0.35), 50.0°(0.21), 51.8°(0.12), 52.6°(0.09), 57.0°(0.05), 58.4°(0.17), 59.2°(0.06), 63.2°(0.13), 69.1°(0.16), 76.9°(0.06), 87.3°(0.06).
Generate atomic str... | JVASP-135429 | 3.53 3.53 8.01
90 90 90
Y 0.000 0.000 0.019
Mg 0.000 0.000 0.427
S 0.000 0.000 0.718 |
Below is a description of a material. | The chemical formula is: NaVF4.
The XRD pattern shows main peaks at: 16.6°(0.68), 25.5°(0.17), 30.5°(1.0), 30.8°(0.98), 50.1°(0.41), 50.4°(0.76), 50.8°(0.39), 52.5°(0.75), 58.1°(0.14), 58.6°(0.13), 61.9°(0.21), 64.7°(0.07), 70.8°(0.09), 77.4°(0.17).
Generate atomic structure description with lattice lengths, angles, co... | JVASP-138896 | 3.49 3.49 5.33
89 89 90
Na 0.500 0.500 0.500
V 0.000 0.000 0.000
F 0.499 -0.000 0.218
F -0.000 0.499 0.218
F 0.501 0.000 0.782
F 0.000 0.501 0.782 |
Below is a description of a material. | The chemical formula is: Na2CuBiBr6.
The XRD pattern shows main peaks at: 14.1°(0.11), 16.3°(1.0), 23.1°(0.1), 27.1°(0.14), 28.4°(0.16), 32.9°(0.78), 36.9°(0.54), 47.2°(0.55), 50.2°(0.26), 58.7°(0.19), 68.9°(0.09), 78.5°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom typ... | JVASP-111205 | 7.71 7.71 7.71
60 60 60
Na 0.750 0.750 0.750
Na 0.250 0.250 0.250
Cu 0.500 0.500 0.500
Bi 0.000 0.000 0.000
Br 0.738 0.262 0.262
Br 0.262 0.262 0.738
Br 0.262 0.738 0.738
Br 0.262 0.738 0.262
Br 0.738 0.262 0.738
Br 0.738 0.738 0.262 |
Below is a description of a material. | The chemical formula is: Ba2MgZn.
The XRD pattern shows main peaks at: 21.1°(0.25), 30.0°(1.0), 36.9°(0.08), 42.9°(0.2), 48.3°(0.11), 53.2°(0.41), 62.3°(0.12), 66.5°(0.06), 70.6°(0.17), 86.3°(0.21).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-69156 | 5.96 5.96 5.96
60 60 60
Ba 0.250 0.250 0.250
Ba 0.750 0.750 0.750
Mg 0.000 0.000 0.000
Zn 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: NbBO.
The XRD pattern shows main peaks at: 13.7°(1.0), 18.6°(0.43), 19.4°(0.45), 23.2°(0.59), 27.0°(0.41), 27.5°(0.16), 30.9°(0.31), 33.5°(0.19), 36.3°(0.42), 39.3°(0.08), 40.4°(0.12), 41.8°(0.08), 42.8°(0.12), 43.9°(0.13), 46.2°(0.12), 47.4°(0.07), 48.4°(0.16), 49.6°(0.15), 54.6°(0.1), 59.5°(0... | JVASP-133783 | 6.48 6.48 4.76
90 90 90
Nb 0.308 -0.016 0.000
B -0.058 -0.094 0.000
O -0.024 0.265 0.000 |
Below is a description of a material. | The chemical formula is: K2AgAsF6.
The XRD pattern shows main peaks at: 20.1°(0.48), 28.6°(1.0), 40.9°(0.48), 50.6°(0.35), 59.2°(0.28), 74.4°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-107119 | 6.24 6.24 6.24
60 60 60
K 0.250 0.250 0.250
K 0.750 0.750 0.750
Ag 0.500 0.500 0.500
As 0.000 0.000 0.000
F 0.233 0.233 0.767
F 0.233 0.767 0.767
F 0.767 0.767 0.233
F 0.233 0.767 0.233
F 0.767 0.233 0.767
F 0.767 0.233 0.233 |
Below is a description of a material. | The chemical formula is: BeHgPd2.
The XRD pattern shows main peaks at: 22.3°(0.25), 25.4°(0.34), 32.4°(0.19), 39.7°(1.0), 41.1°(0.1), 45.5°(0.19), 46.4°(0.35), 52.1°(0.11), 53.6°(0.1), 56.9°(0.08), 63.7°(0.06), 67.0°(0.22), 67.7°(0.11), 80.1°(0.14), 81.4°(0.25), 85.4°(0.12).
Generate atomic structure description with l... | JVASP-68221 | 4.85 4.85 4.85
132 132 69
Be 0.500 0.500 0.000
Hg 0.750 0.250 0.500
Pd 0.000 0.000 0.000
Pd 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: ZrSiPd.
The XRD pattern shows main peaks at: 17.6°(0.08), 26.8°(0.11), 28.9°(0.2), 35.4°(1.0), 37.3°(0.48), 37.7°(0.26), 42.3°(0.43), 44.6°(0.13), 46.3°(0.29), 47.3°(0.08), 59.8°(0.06), 60.5°(0.06), 61.2°(0.12), 64.5°(0.13), 65.4°(0.08), 66.3°(0.08), 68.3°(0.06), 69.0°(0.2), 76.4°(0.1), 78.6°(0... | JVASP-132974 | 3.92 6.67 7.67
90 90 90
Zr 0.250 0.027 0.319
Zr 0.250 0.527 0.181
Zr 0.750 0.973 0.681
Zr 0.750 0.473 0.819
Si 0.250 0.260 0.623
Si 0.250 0.760 0.877
Si 0.750 0.740 0.377
Si 0.750 0.240 0.123
Pd 0.250 0.144 0.938
Pd 0.250 0.644 0.562
Pd 0.750 0.856 0.062
Pd 0.750 0.356 0.438 |
Below is a description of a material. | The chemical formula is: LiFePH2O5.
The XRD pattern shows main peaks at: 11.2°(1.0), 19.4°(0.17), 22.2°(0.12), 24.9°(0.08), 27.4°(0.27), 31.8°(0.21), 33.8°(0.46), 39.2°(0.05), 42.7°(0.12), 44.1°(0.05), 45.3°(0.05), 51.0°(0.05), 52.4°(0.09), 54.0°(0.05), 57.1°(0.08), 58.0°(0.08).
Generate atomic structure description wi... | JVASP-121737 | 4.65 5.63 7.88
90 90 90
Li 0.088 0.000 0.454
Li 0.588 0.500 0.546
Fe 0.019 0.000 0.980
Fe 0.519 0.500 0.020
P 0.589 0.000 0.233
P 0.089 0.500 0.767
H 0.076 0.639 0.211
H 0.576 0.861 0.789
H 0.576 0.139 0.789
H 0.076 0.361 0.211
O 0.221 0.718 0.865
O 0.258 0.000 0.222
O 0.684 0.000 0.419
O 0.705 0.000 0.783
O 0.721 0.21... |
Below is a description of a material. | The chemical formula is: NbV2Ru3.
The XRD pattern shows main peaks at: 30.3°(0.07), 31.6°(0.06), 35.4°(0.1), 36.1°(0.07), 40.9°(1.0), 43.4°(0.5), 47.8°(0.06), 57.6°(0.06), 63.0°(0.16), 77.9°(0.29).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-191864 | 2.95 2.95 9.96
90 90 90
Nb 0.500 0.500 0.500
V 0.500 0.500 0.841
V 0.500 0.500 0.159
Ru 0.000 -0.000 -0.000
Ru 0.000 0.000 0.701
Ru -0.000 -0.000 0.299 |
Below is a description of a material. | The chemical formula is: BaYCoCuO5.
The XRD pattern shows main peaks at: 23.0°(0.05), 32.7°(0.43), 33.2°(1.0), 35.8°(0.05), 40.7°(0.11), 46.9°(0.31), 48.4°(0.09), 58.7°(0.35), 59.6°(0.17), 68.5°(0.09), 69.7°(0.12), 78.3°(0.07), 88.3°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates... | JVASP-8414 | 3.88 3.88 7.52
90 90 90
Ba 0.000 0.000 0.972
Y 0.000 0.000 0.461
Co 0.500 0.500 0.697
Cu 0.500 0.500 0.243
O 0.000 0.500 0.655
O 0.500 0.000 0.655
O 0.000 0.500 0.278
O 0.500 0.000 0.278
O 0.500 0.500 0.949 |
Below is a description of a material. | The chemical formula is: DyNi5.
The XRD pattern shows main peaks at: 22.5°(0.06), 31.0°(0.54), 37.0°(0.3), 42.9°(0.34), 43.7°(1.0), 45.9°(0.25), 60.3°(0.16), 62.9°(0.14), 64.6°(0.2), 71.2°(0.2), 78.7°(0.15), 83.3°(0.14), 84.6°(0.06), 86.9°(0.06).
Generate atomic structure description with lattice lengths, angles, coord... | JVASP-20109 | 4.87 4.87 3.96
90 90 119
Dy 0.000 0.000 0.000
Ni -0.000 0.500 0.500
Ni 0.333 0.667 0.000
Ni 0.667 0.333 0.000
Ni 0.500 -0.000 0.500
Ni 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Pr2BiO2.
The XRD pattern shows main peaks at: 29.2°(1.0), 31.2°(0.4), 38.5°(0.12), 44.7°(0.2), 50.4°(0.26), 54.3°(0.38), 60.4°(0.12), 64.0°(0.12), 65.1°(0.06), 72.9°(0.08), 73.9°(0.07), 78.2°(0.06), 81.4°(0.09), 86.6°(0.12), 89.7°(0.1).
Generate atomic structure description with lattice lengths... | JVASP-158654 | 4.05 4.05 7.58
105 105 90
Pr 0.664 0.664 0.328
Pr 0.336 0.336 0.672
Bi 0.000 0.000 0.000
O 0.750 0.250 0.500
O 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: H3C6S2NO.
The XRD pattern shows main peaks at: 18.9°(0.73), 19.6°(0.44), 23.0°(0.07), 23.4°(0.13), 24.9°(0.13), 25.9°(1.0), 26.4°(0.15), 29.6°(0.14), 32.2°(0.11), 35.2°(0.14), 37.2°(0.14), 37.7°(0.17), 39.8°(0.09), 40.2°(0.1), 41.4°(0.12), 42.4°(0.07), 43.2°(0.07), 44.2°(0.1), 49.2°(0.06), 53.2... | JVASP-112019 | 4.56 4.88 7.41
75 87 83
H 0.653 0.788 0.733
H 0.652 0.856 0.368
H 0.749 0.483 0.090
C 0.795 0.655 0.659
C 0.794 0.693 0.463
C 0.004 0.504 0.404
C 0.002 0.435 0.747
C 0.140 0.473 0.224
C 0.105 0.332 0.936
S 0.198 0.278 0.588
S 0.374 0.066 0.985
N 0.976 0.459 0.076
O 0.414 0.441 0.219 |
Below is a description of a material. | The chemical formula is: TiAl2V.
The XRD pattern shows main peaks at: 28.5°(0.13), 40.7°(1.0), 59.0°(0.18), 74.2°(0.33), 88.3°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-180801 | 4.43 4.43 4.43
60 60 60
Ti 0.500 0.500 0.500
Al 0.250 0.250 0.250
Al 0.750 0.750 0.750
V 0.000 -0.000 0.000 |
Below is a description of a material. | The chemical formula is: CrMoO4.
The XRD pattern shows main peaks at: 19.1°(0.26), 26.7°(0.81), 27.6°(0.74), 36.4°(1.0), 38.8°(0.21), 41.1°(0.22), 44.1°(0.09), 53.7°(0.46), 54.7°(0.46), 56.9°(0.12), 62.6°(0.1), 63.9°(0.17), 68.6°(0.28), 70.5°(0.09), 70.9°(0.09), 77.3°(0.07), 80.5°(0.08), 82.9°(0.07), 89.2°(0.07).
Gener... | JVASP-102310 | 2.92 4.65 4.65
91 90 90
Cr 0.000 0.500 0.000
Mo 0.500 0.000 0.500
O 0.500 0.702 0.202
O 0.500 0.298 0.798
O 0.000 0.208 0.292
O 0.000 0.792 0.708 |
Below is a description of a material. | The chemical formula is: CdPS4.
The XRD pattern shows main peaks at: 17.1°(0.14), 20.5°(1.0), 22.6°(0.21), 30.5°(0.67), 33.6°(0.18), 34.7°(0.61), 35.5°(0.21), 40.1°(0.2), 41.6°(0.17), 43.5°(0.16), 45.7°(0.24), 46.1°(0.33), 47.3°(0.08), 50.3°(0.2), 50.8°(0.21), 55.7°(0.2), 61.6°(0.15), 63.0°(0.1), 63.9°(0.1), 65.7°(0.1)... | JVASP-118013 | 5.99 5.99 5.99
115 130 85
Cd 0.000 0.500 0.500
P 0.000 0.000 0.000
S 0.628 0.676 0.569
S 0.372 -0.059 0.048
S 0.893 0.324 -0.048
S 0.107 0.059 0.431 |
Below is a description of a material. | The chemical formula is: W3I.
The XRD pattern shows main peaks at: 37.9°(0.54), 39.3°(1.0), 54.8°(0.19), 58.7°(0.08), 69.4°(0.41), 72.0°(0.19), 81.1°(0.07), 84.4°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-127651 | 3.15 4.74 4.74
90 90 90
W 0.750 0.750 0.000
W 0.750 0.250 0.500
W 0.250 0.250 0.000
I 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: PaI3.
The XRD pattern shows main peaks at: 9.7°(0.57), 16.8°(0.2), 19.4°(0.53), 30.1°(1.0), 33.9°(0.3), 35.3°(0.12), 37.4°(0.2), 43.0°(0.14), 45.9°(0.17), 46.5°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-91992 | 10.58 10.58 3.90
89 90 119
Pa 0.667 0.333 0.250
Pa 0.333 0.667 0.750
I 0.799 0.202 0.750
I 0.403 0.201 0.750
I 0.798 0.597 0.750
I 0.201 0.798 0.250
I 0.597 0.799 0.250
I 0.202 0.403 0.250 |
Below is a description of a material. | The chemical formula is: Pu3Ta.
The XRD pattern shows main peaks at: 34.6°(1.0), 40.2°(0.37), 58.0°(0.27), 69.1°(0.15), 69.5°(0.27), 72.9°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-104871 | 5.52 5.52 5.52
132 132 70
Pu 0.750 0.250 0.500
Pu 0.250 0.750 0.500
Pu 0.500 0.500 -0.000
Ta 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: SrSm3.
The XRD pattern shows main peaks at: 29.6°(1.0), 34.3°(0.48), 49.4°(0.34), 58.6°(0.44), 61.5°(0.13), 72.4°(0.06), 80.1°(0.18), 82.6°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-108666 | 5.22 5.22 5.22
90 90 90
Sr 0.000 0.000 0.000
Sm 0.000 0.500 0.500
Sm 0.500 0.000 0.500
Sm 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: NbVO2.
The XRD pattern shows main peaks at: 15.8°(0.28), 32.0°(0.51), 36.1°(1.0), 46.2°(0.63), 49.2°(0.07), 57.3°(0.32), 59.7°(0.2), 67.5°(0.17), 69.5°(0.08), 76.2°(0.17), 76.7°(0.13), 79.0°(0.2), 85.6°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and a... | JVASP-180813 | 2.77 2.77 5.60
90 90 90
Nb 0.500 0.500 0.566
V -0.000 0.000 0.979
O -0.000 0.000 0.393
O 0.500 0.500 0.072 |
Below is a description of a material. | The chemical formula is: VGe7.
The XRD pattern shows main peaks at: 26.8°(1.0), 44.5°(0.76), 52.7°(0.43), 64.8°(0.12), 71.4°(0.18), 82.0°(0.24), 88.2°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-127461 | 5.76 5.76 5.76
90 90 90
V 0.500 0.500 0.500
Ge 0.747 0.747 0.747
Ge 0.500 0.000 0.000
Ge 0.747 0.253 0.253
Ge 0.000 0.500 0.000
Ge 0.253 0.747 0.253
Ge 0.000 0.000 0.500
Ge 0.253 0.253 0.747 |
Below is a description of a material. | The chemical formula is: Li5TiP3.
The XRD pattern shows main peaks at: 14.3°(0.37), 18.9°(0.42), 21.5°(0.22), 22.8°(0.22), 25.9°(0.08), 26.4°(1.0), 36.4°(0.08), 43.8°(0.66), 52.1°(0.19), 64.0°(0.06), 80.7°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-161758 | 8.22 12.40 10.10
35 35 60
Li 0.528 0.343 0.224
Li 0.014 0.659 0.751
Li 0.004 0.342 0.726
Li 0.472 0.658 0.772
Li 0.996 0.659 0.269
Li 0.521 0.001 0.727
Li 0.509 0.343 0.743
Li 0.986 0.342 0.244
Li 0.491 0.658 0.253
Li 0.480 0.001 0.268
Ti 0.016 0.001 0.232
Ti 0.985 0.001 0.763
P 0.014 0.310 0.001
P 0.000 0.001 0.998
P ... |
Below is a description of a material. | The chemical formula is: BeBiCl2.
The XRD pattern shows main peaks at: 16.3°(0.75), 23.1°(1.0), 30.7°(0.34), 32.9°(0.72), 34.9°(0.89), 44.0°(0.25), 45.6°(0.23), 47.2°(0.38), 50.2°(0.28), 56.0°(0.45), 60.1°(0.2), 64.0°(0.14), 66.5°(0.2), 69.0°(0.12), 73.8°(0.16), 75.0°(0.21), 80.9°(0.08), 82.0°(0.09), 83.2°(0.06), 85.5°... | JVASP-68342 | 6.17 6.17 6.17
141 141 56
Be 0.500 0.500 0.000
Bi 0.750 0.250 0.500
Cl 0.000 0.000 0.000
Cl 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: Y5Mg.
The XRD pattern shows main peaks at: 23.1°(0.09), 29.1°(0.24), 32.1°(0.25), 33.3°(1.0), 43.9°(0.14), 51.5°(0.17), 58.0°(0.19), 62.0°(0.2), 62.8°(0.14), 81.3°(0.06), 85.4°(0.12), 89.4°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-94379 | 6.14 6.14 5.58
90 90 120
Y 0.678 -0.000 0.500
Y 0.322 0.322 0.500
Y 0.000 0.678 0.500
Y 0.667 0.333 0.000
Y 0.333 0.667 0.000
Mg 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Y2MgRu.
The XRD pattern shows main peaks at: 21.7°(0.16), 35.8°(1.0), 42.3°(0.08), 51.6°(0.17), 64.4°(0.35), 75.9°(0.11), 86.9°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-41555 | 5.01 5.01 5.01
60 60 60
Y 0.000 0.000 0.000
Y 0.500 0.500 0.500
Mg 0.250 0.250 0.250
Ru 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: Sn7Ru.
The XRD pattern shows main peaks at: 23.8°(1.0), 39.4°(0.83), 46.6°(0.51), 57.0°(0.13), 62.6°(0.2), 71.5°(0.27), 76.6°(0.14), 84.8°(0.08), 89.7°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-122603 | 6.47 6.47 6.47
90 90 90
Sn 0.230 0.230 0.730
Sn 0.000 0.500 0.000
Sn 0.230 0.770 0.270
Sn 0.500 0.000 0.000
Sn 0.770 0.230 0.270
Sn 0.500 0.500 0.500
Sn 0.770 0.770 0.730
Ru 0.000 0.000 0.500 |
Below is a description of a material. | The chemical formula is: Ti2AlTc.
The XRD pattern shows main peaks at: 24.6°(0.27), 40.6°(1.0), 48.1°(0.13), 58.8°(0.17), 64.7°(0.06), 73.9°(0.3), 88.0°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-42894 | 4.44 4.44 4.44
60 60 60
Ti 0.500 0.500 0.500
Ti 0.000 0.000 0.000
Al 0.250 0.250 0.250
Tc 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: BeInSe2.
The XRD pattern shows main peaks at: 14.3°(0.44), 23.6°(0.38), 27.7°(0.32), 28.9°(0.48), 33.6°(1.0), 36.7°(0.19), 37.6°(0.5), 44.9°(0.56), 48.3°(0.35), 50.5°(0.33), 56.6°(0.08), 57.2°(0.25), 62.8°(0.22), 65.2°(0.14), 70.7°(0.11), 72.4°(0.2), 78.1°(0.1), 80.6°(0.15), 85.2°(0.14), 87.7°(... | JVASP-70817 | 3.77 3.77 6.18
90 90 90
Be 0.000 0.000 0.316
In 0.500 0.500 0.833
Se 0.000 0.000 0.957
Se 0.500 0.500 0.394 |
Below is a description of a material. | The chemical formula is: LiVGaO4.
The XRD pattern shows main peaks at: 18.3°(0.64), 18.7°(1.0), 35.4°(0.21), 35.8°(0.37), 36.4°(0.17), 37.1°(0.11), 37.9°(0.11), 42.6°(0.32), 44.1°(0.54), 47.3°(0.11), 56.6°(0.06), 58.6°(0.12), 63.0°(0.46), 65.1°(0.08), 79.1°(0.07), 81.0°(0.07).
Generate atomic structure description with... | JVASP-142834 | 5.73 5.90 5.91
60 60 89
Li 0.379 0.129 0.741
Li 0.621 0.871 0.259
V 0.000 0.500 -0.000
V 0.500 0.500 0.000
Ga 0.000 -0.000 0.500
Ga 0.000 0.500 0.500
O 0.749 0.730 0.539
O 0.789 0.270 0.461
O 0.211 0.730 0.539
O 0.251 0.270 0.461
O 0.243 0.718 0.015
O 0.243 0.267 0.015
O 0.757 0.733 0.985
O 0.757 0.282 0.985 |
Below is a description of a material. | The chemical formula is: HfV2.
The XRD pattern shows main peaks at: 21.1°(0.31), 34.8°(0.8), 41.1°(1.0), 43.0°(0.09), 62.4°(0.29), 66.7°(0.31), 73.5°(0.21).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-7657 | 5.15 5.15 5.15
60 60 60
Hf 0.125 0.125 0.125
Hf 0.875 0.875 0.875
V 0.500 0.000 0.500
V 0.000 0.500 0.500
V 0.500 0.500 0.500
V 0.500 0.500 -0.000 |
Below is a description of a material. | The chemical formula is: CaAu.
The XRD pattern shows main peaks at: 16.1°(0.34), 24.0°(0.72), 25.2°(0.54), 30.9°(0.74), 32.4°(0.18), 38.0°(0.4), 38.7°(1.0), 46.3°(0.28), 47.2°(0.17), 53.2°(0.16), 61.2°(0.18), 61.9°(0.17), 62.8°(0.17), 63.5°(0.1), 70.0°(0.11), 70.5°(0.18), 77.2°(0.12), 80.3°(0.13), 85.5°(0.11), 89.2°(0.... | JVASP-63839 | 5.86 5.86 4.61
90 90 140
Ca 0.862 0.138 0.750
Ca 0.138 0.862 0.250
Au 0.585 0.415 0.750
Au 0.415 0.585 0.250 |
Below is a description of a material. | The chemical formula is: NaAlH.
The XRD pattern shows main peaks at: 29.9°(1.0), 32.6°(0.47), 36.1°(0.35), 44.8°(0.66), 48.7°(0.13), 49.4°(0.27), 59.8°(0.14), 61.1°(0.12), 62.1°(0.11), 71.0°(0.15), 71.9°(0.15), 76.3°(0.12), 79.7°(0.05), 88.2°(0.12).
Generate atomic structure description with lattice lengths, angles, co... | JVASP-113642 | 3.74 6.23 2.75
90 90 53
Na -0.095 0.424 0.000
Al -0.095 -0.076 0.000
H 0.405 -0.076 0.000 |
Below is a description of a material. | The chemical formula is: CaI2.
The XRD pattern shows main peaks at: 8.8°(1.0), 12.5°(0.46), 17.7°(0.22), 19.8°(0.35), 21.5°(0.11), 25.0°(0.13), 26.6°(0.17), 28.1°(0.14), 32.1°(0.12), 33.2°(0.1), 36.9°(0.11), 40.2°(0.05), 40.9°(0.06), 45.2°(0.05), 48.8°(0.06).
Generate atomic structure description with lattice lengths, ... | JVASP-136270 | 10.03 10.03 10.15
90 90 90
Ca 0.000 0.000 0.000
I 0.000 0.000 0.279
I 0.000 0.000 0.721 |
Below is a description of a material. | The chemical formula is: CaBC.
The XRD pattern shows main peaks at: 20.8°(1.0), 24.9°(0.49), 32.7°(0.51), 42.4°(0.13), 43.9°(0.35), 49.1°(0.47), 49.8°(0.15), 51.2°(0.06), 55.8°(0.1), 62.7°(0.21), 73.6°(0.09), 82.4°(0.08), 84.5°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and a... | JVASP-114476 | 4.12 4.12 4.26
90 90 120
Ca 0.667 0.333 0.000
B 0.000 0.000 0.000
C 0.333 0.667 0.000 |
Below is a description of a material. | The chemical formula is: Lu3Ga9Pd2.
The XRD pattern shows main peaks at: 22.9°(0.11), 30.2°(0.09), 34.7°(0.12), 35.8°(1.0), 37.2°(0.21), 38.4°(0.21), 42.5°(0.28), 44.0°(0.13), 44.4°(0.11), 53.2°(0.05), 56.8°(0.12), 62.8°(0.09), 70.1°(0.07), 73.5°(0.09).
Generate atomic structure description with lattice lengths, angles... | JVASP-168258 | 4.25 8.07 8.07
71 74 74
Lu 0.500 0.500 0.500
Lu 0.199 0.801 0.801
Lu 0.801 0.199 0.199
Ga 0.361 0.357 0.922
Ga 0.639 0.643 0.078
Ga 0.361 0.922 0.357
Ga 0.639 0.078 0.643
Ga 0.155 0.477 0.214
Ga 0.845 0.523 0.786
Ga 0.155 0.214 0.477
Ga 0.845 0.786 0.523
Ga 0.500 -0.000 0.000
Pd -0.000 0.817 0.183
Pd -0.000 0.183 0.817 |
Below is a description of a material. | The chemical formula is: ZrCl.
The XRD pattern shows main peaks at: 9.9°(0.67), 19.9°(0.07), 30.2°(0.16), 32.9°(1.0), 34.5°(0.08), 38.3°(0.11), 40.6°(0.63), 48.4°(0.08), 53.3°(0.26), 64.1°(0.15), 69.1°(0.23).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-18439 | 3.44 3.44 9.12
100 90 119
Zr 0.622 0.244 0.866
Zr 0.378 0.756 0.134
Cl 0.890 0.780 0.670
Cl 0.110 0.220 0.330 |
Below is a description of a material. | The chemical formula is: CaMg3Si4O12.
The XRD pattern shows main peaks at: 26.7°(0.28), 27.7°(0.35), 29.9°(1.0), 30.4°(0.51), 30.9°(0.37), 35.0°(0.43), 35.8°(0.55), 39.4°(0.15), 40.9°(0.11), 42.4°(0.31), 42.9°(0.11), 44.5°(0.17), 44.9°(0.16), 45.5°(0.12), 52.3°(0.12), 56.7°(0.46), 61.8°(0.19), 62.6°(0.11), 66.0°(0.34),... | JVASP-145839 | 6.60 6.60 5.25
77 77 84
Ca 0.303 0.697 0.500
Mg 0.909 0.091 0.500
Mg 0.096 0.904 -0.000
Mg 0.744 0.256 0.000
Si 0.799 0.616 0.491
Si 0.384 0.201 0.509
Si 0.195 0.384 0.016
Si 0.616 0.805 0.984
O 0.378 0.330 0.757
O 0.670 0.622 0.243
O 0.385 0.892 0.081
O 0.108 0.615 0.919
O 0.620 0.134 0.386
O 0.209 0.030 0.605
O 0.794... |
Below is a description of a material. | The chemical formula is: PrYZn2.
The XRD pattern shows main peaks at: 24.5°(0.07), 34.9°(1.0), 50.2°(0.17), 62.6°(0.35), 73.7°(0.11), 84.2°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-38413 | 5.14 5.14 5.14
60 60 60
Pr 0.250 0.250 0.250
Y 0.750 0.750 0.750
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: TiBO3.
The XRD pattern shows main peaks at: 24.9°(0.47), 32.6°(1.0), 38.3°(0.17), 42.6°(0.37), 46.3°(0.21), 51.2°(0.13), 53.8°(0.41), 54.3°(0.2), 61.6°(0.14), 65.7°(0.14), 69.2°(0.17), 77.0°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-58436 | 5.65 5.65 5.65
49 49 49
Ti 0.500 0.500 0.500
Ti 0.000 0.000 0.000
B 0.750 0.750 0.750
B 0.250 0.250 0.250
O 0.455 0.045 0.750
O 0.750 0.455 0.045
O 0.955 0.250 0.545
O 0.545 0.955 0.250
O 0.250 0.545 0.955
O 0.045 0.750 0.455 |
Below is a description of a material. | The chemical formula is: Ba4TaSi.
The XRD pattern shows main peaks at: 15.8°(0.22), 18.2°(0.1), 25.9°(0.18), 30.5°(1.0), 31.9°(0.49), 37.0°(0.08), 40.4°(0.06), 41.5°(0.05), 45.7°(0.08), 48.7°(0.32), 53.3°(0.31), 62.6°(0.12), 63.4°(0.18), 75.0°(0.22), 86.7°(0.07).
Generate atomic structure description with lattice lengt... | JVASP-66468 | 6.88 6.88 6.88
60 60 60
Ba 0.126 0.625 0.625
Ba 0.625 0.625 0.625
Ba 0.625 0.126 0.625
Ba 0.625 0.625 0.126
Ta 0.000 0.000 0.000
Si 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: ZrTa.
The XRD pattern shows main peaks at: 16.8°(0.15), 34.1°(0.27), 34.6°(0.28), 38.7°(1.0), 49.3°(0.2), 62.0°(0.16), 64.1°(0.21), 72.7°(0.18), 75.5°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-130335 | 2.99 2.99 5.27
90 90 120
Zr 0.333 0.667 0.750
Ta 0.667 0.333 0.250 |
Below is a description of a material. | The chemical formula is: La2SmS4.
The XRD pattern shows main peaks at: 25.2°(1.0), 32.7°(0.9), 38.9°(0.21), 47.0°(0.34).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-169238 | 7.49 7.49 7.49
109 109 109
La 0.250 0.630 0.380
La 0.750 0.870 0.120
La 0.620 0.370 0.250
La 0.880 0.130 0.750
Sm 0.125 0.750 0.875
Sm 0.375 0.250 0.625
S 0.005 0.854 0.506
S 0.006 0.354 0.505
S 0.494 0.999 0.349
S 0.151 0.146 0.151
S 0.349 0.501 0.995
S 0.651 0.646 0.651
S 0.495 0.001 0.849
S 0.849 0.499 0.994 |
Below is a description of a material. | The chemical formula is: BeZn2Ru.
The XRD pattern shows main peaks at: 15.6°(0.16), 29.5°(0.23), 31.6°(0.09), 33.6°(0.34), 42.3°(0.58), 43.8°(1.0), 48.2°(0.07), 53.7°(0.08), 61.3°(0.2), 66.0°(0.14), 71.8°(0.06), 78.3°(0.32), 81.5°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates an... | JVASP-71080 | 3.02 3.02 5.67
90 90 90
Be 0.000 0.000 0.544
Zn 0.000 0.000 0.981
Zn 0.500 0.500 0.262
Ru 0.500 0.500 0.713 |
Below is a description of a material. | The chemical formula is: LuMgMoS4.
The XRD pattern shows main peaks at: 14.4°(1.0), 16.8°(0.05), 27.5°(0.54), 28.0°(0.34), 29.0°(0.19), 33.3°(0.53), 34.0°(0.25), 36.7°(0.15), 43.8°(0.14), 44.6°(0.06), 48.4°(0.49), 60.1°(0.1), 70.0°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates a... | JVASP-121887 | 7.62 7.53 7.53
60 59 59
Lu 0.500 0.500 0.500
Lu -0.000 0.500 0.500
Mg 0.874 0.876 0.876
Mg 0.126 0.124 0.124
Mo 0.500 0.500 0.000
Mo 0.500 0.000 0.500
S 0.720 0.753 0.753
S 0.261 0.248 0.731
S 0.261 0.731 0.248
S 0.726 0.247 0.247
S 0.739 0.269 0.752
S 0.274 0.753 0.753
S 0.280 0.247 0.247
S 0.739 0.752 0.269 |
Below is a description of a material. | The chemical formula is: HfGa2Ru.
The XRD pattern shows main peaks at: 24.4°(0.06), 28.2°(0.13), 40.3°(1.0), 58.3°(0.16), 73.3°(0.34), 87.1°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-186504 | 4.47 4.47 4.47
60 60 60
Hf 0.000 0.000 -0.000
Ga 0.250 0.250 0.250
Ga 0.750 0.750 0.750
Ru 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: VOF3.
The XRD pattern shows main peaks at: 22.1°(0.27), 25.2°(1.0), 32.2°(0.16), 39.4°(0.13), 40.7°(0.07), 45.0°(0.15), 46.2°(0.27), 51.8°(0.09), 53.3°(0.13), 62.3°(0.12), 66.5°(0.1), 80.9°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-107793 | 5.55 4.90 5.57
55 90 90
V 0.276 -0.000 0.941
V 0.724 -0.000 0.441
O 0.520 -0.000 0.231
O 0.480 -0.000 0.731
F -0.002 0.000 0.275
F 0.252 0.580 0.236
F 0.002 0.000 0.775
F 0.747 0.420 0.316
F 0.748 0.580 0.736
F 0.253 0.420 0.816 |
Below is a description of a material. | The chemical formula is: La6WO12.
The XRD pattern shows main peaks at: 20.5°(0.06), 26.9°(0.32), 27.9°(1.0), 32.0°(0.42), 45.3°(0.3), 46.6°(0.25), 53.5°(0.13), 54.6°(0.26), 55.1°(0.11), 57.6°(0.09), 67.0°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-144759 | 6.82 6.82 6.82
98 98 98
La 0.143 0.303 0.607
La 0.393 0.857 0.697
La 0.697 0.393 0.857
La 0.303 0.607 0.143
La 0.607 0.143 0.303
La 0.857 0.697 0.393
W 0.000 0.000 0.000
O 0.594 0.441 0.177
O 0.823 0.406 0.559
O 0.284 0.971 0.066
O 0.559 0.823 0.406
O 0.441 0.177 0.594
O 0.406 0.559 0.823
O 0.177 0.594 0.441
O 0.971 0.... |
Below is a description of a material. | The chemical formula is: CeZn.
The XRD pattern shows main peaks at: 24.7°(0.13), 35.3°(1.0), 50.7°(0.18), 57.2°(0.06), 63.3°(0.38), 74.6°(0.11), 85.3°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-19929 | 3.60 3.60 3.60
90 90 90
Ce 0.000 0.000 0.000
Zn 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Cr2HO4.
The XRD pattern shows main peaks at: 19.7°(1.0), 35.6°(0.08), 37.1°(0.2), 37.8°(0.42), 44.0°(0.05), 48.1°(0.15), 49.5°(0.28), 59.5°(0.1), 62.9°(0.17), 65.9°(0.05), 66.7°(0.05), 79.7°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-18892 | 4.76 2.95 5.12
90 108 90
Cr 0.000 0.000 0.000
Cr -0.000 0.500 0.500
H 0.500 0.500 0.000
O 0.803 0.000 0.612
O 0.231 0.500 0.907
O 0.769 0.500 0.093
O 0.197 0.000 0.388 |
Below is a description of a material. | The chemical formula is: Ca3AsN.
The XRD pattern shows main peaks at: 26.6°(0.19), 32.7°(1.0), 38.0°(0.69), 47.0°(0.07), 54.8°(0.44), 65.3°(0.39), 68.6°(0.14), 81.2°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-118845 | 4.74 4.74 4.74
90 90 90
Ca 0.500 0.500 0.000
Ca 0.500 0.000 0.500
Ca 0.000 0.500 0.500
As 0.000 0.000 0.000
N 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: PmAs.
The XRD pattern shows main peaks at: 25.8°(0.18), 29.9°(1.0), 42.8°(0.73), 50.6°(0.09), 53.1°(0.24), 62.1°(0.12), 70.4°(0.34), 78.3°(0.24).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-159937 | 4.23 4.23 4.23
60 60 60
Pm 0.500 0.500 0.500
As 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: FeSnRu2.
The XRD pattern shows main peaks at: 24.8°(0.06), 41.0°(1.0), 59.4°(0.16), 74.7°(0.33), 88.9°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-51470 | 4.40 4.40 4.40
60 59 60
Fe 0.000 0.000 1.000
Sn 0.500 0.500 0.500
Ru 0.750 0.750 0.750
Ru 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: Sc2RuRh.
The XRD pattern shows main peaks at: 27.8°(0.23), 39.8°(1.0), 49.2°(0.07), 57.5°(0.14), 65.0°(0.08), 72.1°(0.3), 85.7°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-191720 | 3.21 3.21 6.40
90 90 89
Sc 0.000 0.000 0.995
Sc -0.000 -0.000 0.505
Ru 0.500 0.500 0.750
Rh 0.500 0.500 0.250 |
Below is a description of a material. | The chemical formula is: V2NiP.
The XRD pattern shows main peaks at: 25.2°(0.07), 34.5°(0.06), 43.1°(1.0), 47.3°(0.2), 51.7°(0.28), 72.6°(0.18), 76.1°(0.09), 85.1°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-106322 | 3.54 3.54 3.84
90 90 90
V 0.500 0.000 0.500
V 0.000 0.500 0.500
Ni 0.500 0.500 0.000
P 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: KBaZn.
The XRD pattern shows main peaks at: 18.9°(0.74), 31.0°(1.0), 36.6°(0.44), 44.5°(0.2), 48.7°(0.19), 55.2°(0.39), 58.9°(0.15), 64.7°(0.12), 68.1°(0.14), 73.5°(0.17), 76.7°(0.05), 85.0°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-64129 | 5.76 5.76 5.76
60 60 60
K 0.000 0.000 0.000
Ba 0.750 0.750 0.750
Zn 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: AlInO.
The XRD pattern shows main peaks at: 12.8°(0.89), 25.8°(0.38), 28.7°(1.0), 31.5°(0.4), 39.0°(0.57), 41.0°(0.33), 43.2°(0.18), 49.1°(0.4), 53.0°(0.06), 58.0°(0.11), 59.4°(0.1), 61.4°(0.16), 65.9°(0.11), 67.3°(0.15), 69.1°(0.12), 73.4°(0.21), 80.7°(0.09), 83.6°(0.06).
Generate atomic struc... | JVASP-135264 | 3.11 3.11 6.92
90 90 90
Al 0.000 0.000 0.433
In 0.000 0.000 -0.030
O 0.000 0.000 0.675 |
Below is a description of a material. | The chemical formula is: TcGe.
The XRD pattern shows main peaks at: 31.7°(0.37), 41.8°(1.0), 54.8°(0.1), 56.4°(0.27), 64.7°(0.09), 72.6°(0.19), 82.5°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-124826 | 3.26 3.26 3.35
90 90 120
Tc 0.333 0.667 0.750
Ge 0.667 0.333 0.250 |
Below is a description of a material. | The chemical formula is: TlCdSe2.
The XRD pattern shows main peaks at: 25.1°(0.42), 28.0°(0.3), 35.5°(1.0), 44.3°(0.36), 50.6°(0.07), 51.6°(0.06), 53.2°(0.06), 57.3°(0.1), 58.0°(0.23), 69.5°(0.15), 75.7°(0.13), 81.5°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-37024 | 4.09 4.09 7.22
90 90 120
Tl -0.000 -0.000 0.500
Cd 0.000 0.000 0.000
Se 0.667 0.333 0.780
Se 0.333 0.667 0.220 |
Below is a description of a material. | The chemical formula is: Dy2SnAu2.
The XRD pattern shows main peaks at: 15.8°(0.13), 32.0°(0.06), 32.9°(0.18), 34.9°(1.0), 35.9°(0.44), 41.2°(0.09), 43.5°(0.07), 45.9°(0.08), 48.0°(0.09), 48.5°(0.13), 53.7°(0.08), 61.8°(0.17), 65.1°(0.1), 66.9°(0.05), 68.6°(0.15), 72.1°(0.05), 86.9°(0.05).
Generate atomic structure des... | JVASP-117308 | 7.91 7.91 7.50
90 90 90
Dy 0.838 0.162 0.500
Dy 0.162 0.838 0.500
Dy 0.338 0.338 0.000
Dy 0.662 0.662 0.000
Dy 0.677 0.677 0.500
Dy 0.323 0.323 0.500
Dy 0.177 0.823 0.000
Dy 0.823 0.177 0.000
Sn 0.000 0.500 0.250
Sn 0.500 0.000 0.750
Sn 0.000 0.500 0.750
Sn 0.500 0.000 0.250
Au 0.628 0.372 0.266
Au 0.372 0.628 0.266
Au... |
Below is a description of a material. | The chemical formula is: KP.
The XRD pattern shows main peaks at: 26.9°(1.0), 38.5°(0.63), 47.6°(0.22), 55.5°(0.11), 62.8°(0.25), 69.6°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-78382 | 4.68 4.68 4.68
60 60 60
K 0.000 0.000 0.000
P 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: BaAsPt.
The XRD pattern shows main peaks at: 18.4°(0.2), 29.3°(0.98), 32.2°(1.0), 39.7°(0.2), 44.1°(0.19), 50.1°(0.63), 53.9°(0.15), 55.7°(0.18), 59.2°(0.16), 62.5°(0.19), 70.5°(0.07), 72.1°(0.1), 75.1°(0.19), 76.7°(0.06), 79.7°(0.06), 88.5°(0.17).
Generate atomic structure description with lat... | JVASP-87066 | 6.81 6.81 6.81
90 90 90
Ba 0.611 0.389 0.889
Ba 0.389 0.889 0.611
Ba 0.111 0.111 0.111
Ba 0.889 0.611 0.389
As 0.173 0.327 0.673
As 0.673 0.173 0.327
As 0.327 0.673 0.173
As 0.827 0.827 0.827
Pt 0.595 0.905 0.095
Pt 0.095 0.595 0.905
Pt 0.405 0.405 0.405
Pt 0.905 0.095 0.595 |
Below is a description of a material. | The chemical formula is: Ho2ZnRu.
The XRD pattern shows main peaks at: 25.9°(0.11), 36.9°(1.0), 53.2°(0.18), 66.5°(0.35), 78.6°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-80077 | 4.87 4.87 4.87
60 59 59
Ho 0.000 0.000 1.000
Ho 0.500 0.500 0.500
Zn 0.750 0.750 0.750
Ru 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: HfMgZn2.
The XRD pattern shows main peaks at: 23.6°(0.46), 39.0°(1.0), 46.1°(0.24), 56.4°(0.15), 61.9°(0.09), 70.7°(0.32), 75.7°(0.07), 83.8°(0.11), 88.6°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-156921 | 4.62 4.62 4.62
60 60 60
Hf 0.250 0.250 0.250
Mg 0.750 0.750 0.750
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: BPd2.
The XRD pattern shows main peaks at: 33.1°(0.28), 34.5°(0.06), 38.4°(1.0), 39.6°(0.57), 51.4°(0.21), 52.4°(0.05), 58.3°(0.11), 61.0°(0.18), 69.1°(0.17), 69.9°(0.09), 71.8°(0.1), 72.8°(0.2), 74.2°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and at... | JVASP-15803 | 3.17 4.72 5.20
90 90 90
B 0.500 0.500 0.500
B 0.000 0.000 0.000
Pd 0.500 0.753 0.156
Pd 0.500 0.247 0.844
Pd 0.000 0.747 0.656
Pd 0.000 0.253 0.344 |
Below is a description of a material. | The chemical formula is: BaAl.
The XRD pattern shows main peaks at: 18.1°(0.19), 22.6°(0.18), 23.4°(0.21), 25.2°(1.0), 26.4°(0.6), 27.3°(0.11), 28.8°(0.54), 29.7°(0.24), 30.5°(0.56), 34.7°(0.27), 38.6°(0.24), 39.2°(0.11), 41.6°(0.19), 43.7°(0.24), 46.0°(0.12), 48.9°(0.24), 50.0°(0.32), 56.5°(0.12), 58.3°(0.14), 70.5°(0... | JVASP-90819 | 4.66 6.54 9.82
90 90 90
Ba 0.758 0.591 0.821
Ba 0.258 0.409 0.179
Ba 0.258 0.091 0.679
Ba 0.758 0.909 0.321
Al 0.758 0.410 0.475
Al 0.258 0.590 0.525
Al 0.258 0.910 0.025
Al 0.758 0.090 0.975 |
Below is a description of a material. | The chemical formula is: BePt2Cl.
The XRD pattern shows main peaks at: 27.2°(0.91), 34.6°(0.4), 36.7°(0.4), 40.8°(1.0), 51.4°(0.16), 52.9°(0.24), 60.5°(0.22), 64.8°(0.26), 66.2°(0.4), 68.9°(0.07), 76.9°(0.1), 78.1°(0.08), 88.3°(0.11), 89.6°(0.07).
Generate atomic structure description with lattice lengths, angles, coor... | JVASP-68788 | 5.73 5.73 5.73
144 144 50
Be 0.500 0.500 0.000
Pt 0.000 0.000 0.000
Pt 0.250 0.750 0.500
Cl 0.750 0.250 0.500 |
Below is a description of a material. | The chemical formula is: YbSnPt.
The XRD pattern shows main peaks at: 24.0°(0.13), 25.7°(0.09), 32.5°(0.91), 35.4°(1.0), 37.0°(0.33), 42.2°(0.47), 43.3°(0.36), 44.0°(0.3), 58.8°(0.19), 62.6°(0.3), 67.5°(0.35), 75.3°(0.12), 77.9°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and ... | JVASP-150455 | 7.42 7.42 4.12
90 90 120
Yb 0.000 0.408 0.000
Yb 0.592 0.592 0.000
Yb 0.408 0.000 0.000
Sn -0.000 0.742 0.500
Sn 0.258 0.258 0.500
Sn 0.742 -0.000 0.500
Pt 0.000 -0.000 0.000
Pt 0.667 0.333 0.500
Pt 0.333 0.667 0.500 |
Below is a description of a material. | The chemical formula is: Au3F.
The XRD pattern shows main peaks at: 22.0°(0.27), 31.3°(0.21), 38.6°(1.0), 44.9°(0.52), 50.6°(0.12), 55.8°(0.1), 65.4°(0.34), 69.9°(0.06), 78.6°(0.41), 82.8°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-126887 | 4.04 4.04 4.04
90 90 90
Au 0.000 0.500 0.500
Au 0.500 0.000 0.500
Au 0.500 0.500 0.000
F 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Tb8V.
The XRD pattern shows main peaks at: 29.5°(0.26), 30.2°(0.26), 31.3°(0.1), 32.8°(1.0), 34.7°(0.54), 51.9°(0.35), 62.8°(0.14), 63.9°(0.1), 85.7°(0.13), 86.7°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-130109 | 3.52 3.52 24.43
90 90 120
Tb 0.000 0.000 0.209
Tb 0.667 0.333 0.089
Tb 0.667 0.333 0.325
Tb 0.667 0.333 0.558
Tb 0.333 0.667 0.442
Tb 0.333 0.667 0.675
Tb 0.333 0.667 0.911
Tb 0.000 0.000 0.791
V 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: TiNbCrO6.
The XRD pattern shows main peaks at: 21.4°(0.14), 27.0°(1.0), 35.5°(0.53), 38.6°(0.11), 40.6°(0.11), 53.4°(0.56), 55.7°(0.16), 62.9°(0.11), 67.8°(0.2), 80.8°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-176382 | 4.67 4.67 9.01
90 90 90
Ti 0.500 0.500 0.498
Ti -0.000 0.000 0.998
Nb 0.500 0.500 0.834
Nb -0.000 0.000 0.334
Cr 0.500 0.500 0.167
Cr -0.000 0.000 0.667
O 0.198 0.802 0.165
O 0.200 0.800 0.502
O 0.193 0.807 0.834
O 0.802 0.198 0.165
O 0.800 0.200 0.502
O 0.807 0.193 0.834
O 0.300 0.300 0.002
O 0.307 0.307 0.334
O 0.302... |
Below is a description of a material. | The chemical formula is: NaCaAs.
The XRD pattern shows main peaks at: 22.3°(0.76), 36.8°(1.0), 43.4°(0.4), 53.0°(0.17), 66.2°(0.33).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-22736 | 4.89 4.89 4.89
60 60 60
Na 0.500 0.500 0.500
Ca 0.000 0.000 0.000
As 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: AgO.
The XRD pattern shows main peaks at: 32.4°(1.0), 37.2°(0.48), 38.3°(0.22), 53.6°(0.13), 54.5°(0.25), 64.1°(0.31), 65.5°(0.14), 67.8°(0.14), 88.3°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-9086 | 6.74 6.74 6.74
91 119 119
Ag 0.500 0.000 0.500
Ag 0.500 0.000 -0.000
Ag -0.000 0.000 0.500
Ag 0.000 0.500 0.500
Ag 0.500 0.500 -0.000
Ag 0.500 0.500 0.500
Ag -0.000 0.500 0.000
Ag 0.000 0.000 0.000
O 0.590 0.297 0.874
O 0.578 0.374 0.284
O 0.922 0.207 0.796
O 0.910 0.784 0.707
O 0.410 0.703 0.126
O 0.422 0.626 0.716
O ... |
Below is a description of a material. | The chemical formula is: DyNi2Sb2.
The XRD pattern shows main peaks at: 26.8°(0.05), 28.6°(0.11), 30.0°(0.09), 33.8°(1.0), 40.8°(0.46), 46.6°(0.12), 50.2°(0.14), 54.0°(0.23), 59.1°(0.16), 66.6°(0.11), 69.9°(0.21), 84.2°(0.06), 88.5°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates ... | JVASP-150811 | 4.42 4.42 9.97
90 90 90
Dy 0.250 0.250 0.768
Dy 0.750 0.750 0.232
Ni 0.750 0.250 0.000
Ni 0.250 0.750 0.000
Ni 0.250 0.250 0.372
Ni 0.750 0.750 0.628
Sb 0.750 0.250 0.500
Sb 0.250 0.750 0.500
Sb 0.250 0.250 0.127
Sb 0.750 0.750 0.873 |
Below is a description of a material. | The chemical formula is: Th7Co3.
The XRD pattern shows main peaks at: 25.5°(0.11), 27.9°(0.21), 30.8°(0.39), 31.5°(1.0), 35.0°(0.35), 36.0°(0.28), 36.8°(0.19), 49.2°(0.08), 55.2°(0.24), 56.0°(0.26), 56.4°(0.21).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-163456 | 9.76 9.76 6.19
90 90 120
Th 0.333 0.667 0.051
Th 0.667 0.333 0.551
Th 0.126 0.874 0.242
Th 0.252 0.126 0.742
Th 0.874 0.748 0.742
Th 0.126 0.252 0.242
Th 0.748 0.874 0.242
Th 0.874 0.126 0.742
Th 0.544 0.456 0.051
Th 0.088 0.544 0.551
Th 0.456 0.912 0.551
Th 0.544 0.088 0.051
Th 0.912 0.456 0.051
Th 0.456 0.544 0.551
C... |
Below is a description of a material. | The chemical formula is: ZnPPd5.
The XRD pattern shows main peaks at: 25.9°(0.07), 32.2°(0.14), 34.8°(0.31), 39.3°(0.19), 41.8°(1.0), 46.2°(0.41), 53.3°(0.06), 62.3°(0.18), 67.5°(0.14), 73.2°(0.1), 77.4°(0.14), 78.2°(0.05), 81.0°(0.08), 82.6°(0.26).
Generate atomic structure description with lattice lengths, angles, co... | JVASP-35438 | 3.93 3.93 6.88
90 90 90
Zn 0.500 0.500 0.000
P 0.000 0.000 0.500
Pd 0.000 0.500 0.292
Pd 0.000 0.500 0.708
Pd 0.500 0.000 0.292
Pd 0.500 0.000 0.708
Pd 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Y3Si3Rh2.
The XRD pattern shows main peaks at: 12.8°(0.15), 16.7°(0.27), 22.8°(0.16), 25.8°(0.11), 26.3°(0.18), 30.1°(0.47), 33.8°(0.84), 34.3°(0.28), 34.8°(0.92), 35.6°(0.27), 36.7°(0.31), 38.6°(1.0), 39.1°(0.36), 42.5°(0.23), 43.2°(0.58), 56.3°(0.13), 58.0°(0.15), 59.7°(0.21), 65.3°(0.26), 76... | JVASP-154403 | 5.72 5.72 13.79
90 90 137
Y 0.079 0.921 0.886
Y 0.921 0.079 0.386
Y 0.079 0.921 0.614
Y 0.921 0.079 0.114
Y 0.356 0.644 0.750
Y 0.644 0.356 0.250
Si 0.389 0.611 0.961
Si 0.611 0.389 0.461
Si 0.389 0.611 0.539
Si 0.611 0.389 0.039
Si 0.662 0.338 0.750
Si 0.338 0.662 0.250
Rh 0.214 0.786 0.417
Rh 0.786 0.214 0.917
Rh 0.2... |
Below is a description of a material. | The chemical formula is: CdSb6S8I4.
The XRD pattern shows main peaks at: 14.1°(0.57), 20.6°(0.25), 22.5°(0.17), 23.5°(0.15), 25.6°(0.36), 28.4°(0.48), 29.3°(0.44), 30.3°(0.75), 31.4°(1.0), 31.8°(0.28), 33.6°(0.37), 34.3°(0.23), 35.1°(0.26), 39.0°(0.2), 43.4°(0.29), 46.6°(0.24), 48.8°(0.22), 49.5°(0.28), 50.9°(0.14), 55... | JVASP-32637 | 7.43 8.92 8.96
91 70 84
Cd 0.000 0.000 0.000
Sb 0.247 0.357 0.847
Sb 0.239 0.066 0.555
Sb 0.753 0.643 0.153
Sb 0.224 0.701 0.210
Sb 0.776 0.299 0.790
Sb 0.761 0.934 0.445
S 0.091 0.990 0.276
S 0.338 0.069 0.807
S 0.904 0.642 0.391
S 0.096 0.358 0.609
S 0.914 0.313 0.022
S 0.086 0.687 0.978
S 0.662 0.931 0.193
S 0.909 0... |
Below is a description of a material. | The chemical formula is: BeSnAs.
The XRD pattern shows main peaks at: 24.8°(0.09), 28.7°(1.0), 41.0°(0.92), 48.5°(0.06), 50.8°(0.29), 59.3°(0.15), 67.2°(0.4), 74.6°(0.31), 88.9°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-75829 | 4.40 4.40 4.40
60 60 60
Be 0.250 0.250 0.250
Sn 0.000 0.000 0.000
As 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: YWC2.
The XRD pattern shows main peaks at: 17.5°(0.22), 22.6°(0.1), 27.7°(0.06), 31.8°(0.24), 32.3°(0.33), 33.1°(0.33), 35.0°(1.0), 36.4°(0.08), 39.8°(0.15), 40.2°(0.27), 44.7°(0.05), 46.1°(0.05), 52.7°(0.1), 54.3°(0.11), 55.9°(0.21), 61.4°(0.09), 64.6°(0.09), 65.1°(0.12), 69.7°(0.11), 71.5°(0.... | JVASP-145204 | 3.38 5.73 10.83
90 90 90
Y 0.250 0.087 0.863
Y 0.250 0.587 0.637
Y 0.750 0.913 0.137
Y 0.750 0.413 0.363
W 0.250 0.402 0.111
W 0.250 0.902 0.389
W 0.750 0.598 0.889
W 0.750 0.098 0.611
C 0.250 0.159 0.247
C 0.250 0.659 0.253
C 0.750 0.841 0.753
C 0.750 0.341 0.747
C 0.250 0.723 0.984
C 0.250 0.223 0.516
C 0.750 0.277 0... |
Below is a description of a material. | The chemical formula is: LiCoGe.
The XRD pattern shows main peaks at: 25.8°(0.61), 43.6°(1.0), 45.4°(0.58), 53.0°(0.08), 64.8°(0.29), 72.3°(0.06), 82.7°(0.29), 84.0°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-180477 | 3.99 3.99 2.59
90 90 120
Li 0.667 0.333 0.500
Co -0.000 0.000 0.000
Ge 0.333 0.667 0.500 |
Below is a description of a material. | The chemical formula is: TlClO.
The XRD pattern shows main peaks at: 15.7°(1.0), 21.9°(0.4), 24.1°(0.97), 26.7°(0.66), 27.3°(0.6), 28.9°(0.54), 31.6°(0.37), 32.8°(0.32), 36.3°(0.59), 36.7°(0.5), 39.2°(0.16), 40.2°(0.36), 44.6°(0.18), 45.8°(0.18), 46.5°(0.19), 51.3°(0.22), 54.6°(0.17), 57.1°(0.16), 59.1°(0.15), 59.9°(0.... | JVASP-134579 | 6.90 4.07 3.69
90 90 55
Tl -0.137 -0.013 0.000
Cl 0.399 0.011 0.000
O 0.099 0.253 0.000 |
Below is a description of a material. | The chemical formula is: V2TcRu.
The XRD pattern shows main peaks at: 29.7°(0.16), 42.4°(1.0), 61.6°(0.17), 69.8°(0.06), 77.6°(0.3).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-41603 | 4.26 4.26 4.26
60 60 60
V 0.500 0.500 0.500
V 0.000 0.000 0.000
Tc 0.750 0.750 0.750
Ru 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: Cd3Hg.
The XRD pattern shows main peaks at: 7.9°(0.14), 31.9°(0.32), 33.2°(0.22), 37.0°(1.0), 46.8°(0.17), 59.4°(0.16), 69.0°(0.19), 72.1°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-111379 | 3.11 3.11 11.21
90 90 120
Cd 0.000 0.000 0.000
Cd 0.333 0.667 0.753
Cd 0.333 0.667 0.247
Hg 0.000 0.000 0.500 |
Below is a description of a material. | The chemical formula is: Na3MgP2HO8.
The XRD pattern shows main peaks at: 13.0°(0.14), 22.9°(0.43), 23.8°(0.5), 26.1°(0.36), 32.1°(0.65), 33.0°(1.0), 34.4°(0.7), 34.7°(0.55), 38.7°(0.22), 39.1°(0.22), 39.6°(0.19), 43.0°(0.1), 45.0°(0.1), 46.7°(0.27), 48.7°(0.37), 53.6°(0.2), 59.7°(0.2), 60.4°(0.18), 65.5°(0.12), 69.3°(... | JVASP-85675 | 5.22 6.84 5.17
91 117 90
Na 0.295 0.786 0.662
Na 0.705 0.214 0.338
Na -0.000 0.500 -0.000
Mg 0.000 0.000 0.000
P 0.355 0.243 0.660
P 0.645 0.757 0.340
H 0.500 0.500 -0.000
O 0.217 0.098 0.784
O 0.783 0.902 0.216
O 0.683 0.212 0.787
O 0.317 0.788 0.213
O 0.313 0.457 0.758
O 0.687 0.543 0.242
O 0.791 0.772 0.674
O 0.209 ... |
Below is a description of a material. | The chemical formula is: Mn3Ni4Sb.
The XRD pattern shows main peaks at: 34.3°(0.05), 42.5°(1.0), 44.6°(0.4), 58.4°(0.08), 64.8°(0.13), 76.3°(0.14), 80.6°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-120518 | 4.07 6.32 8.13
90 90 90
Mn 0.000 0.000 0.000
Mn 0.000 0.000 0.500
Mn 0.500 0.000 0.750
Mn 0.500 0.000 0.250
Mn 0.500 0.500 0.750
Mn 0.500 0.500 0.250
Ni 0.500 0.771 0.000
Ni 0.500 0.771 0.500
Ni 0.500 0.229 0.000
Ni 0.500 0.229 0.500
Ni 0.000 0.771 0.750
Ni -0.000 0.771 0.250
Ni -0.000 0.229 0.250
Ni 0.000 0.229 0.750
... |
Below is a description of a material. | The chemical formula is: CrAs.
The XRD pattern shows main peaks at: 32.7°(1.0), 41.3°(0.08), 43.0°(0.81), 50.4°(0.45), 56.9°(0.17), 61.5°(0.11), 65.9°(0.07), 68.6°(0.13), 83.3°(0.06), 87.4°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-94792 | 3.60 5.67 6.28
90 90 90
Cr 0.750 0.499 0.722
Cr 0.750 0.999 0.778
Cr 0.250 0.501 0.278
Cr 0.250 0.001 0.222
As 0.750 0.278 0.082
As 0.750 0.778 0.418
As 0.250 0.722 0.918
As 0.250 0.222 0.582 |
Below is a description of a material. | The chemical formula is: LiInRh2.
The XRD pattern shows main peaks at: 24.8°(0.26), 28.7°(0.09), 41.0°(1.0), 48.5°(0.13), 59.3°(0.16), 65.3°(0.05), 74.6°(0.33), 88.8°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-183155 | 4.41 4.41 4.41
60 60 60
Li 0.500 0.500 0.500
In -0.000 0.000 0.000
Rh 0.250 0.250 0.250
Rh 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: TlBr.
The XRD pattern shows main peaks at: 23.2°(0.3), 26.8°(1.0), 38.3°(0.78), 47.4°(0.26), 55.3°(0.12), 62.5°(0.35), 69.2°(0.28).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-78661 | 4.70 4.70 4.70
60 60 59
Tl 0.000 0.000 0.000
Br 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: BeNbGa4.
The XRD pattern shows main peaks at: 21.2°(0.33), 24.6°(0.17), 35.0°(0.16), 41.3°(1.0), 43.3°(0.56), 50.4°(0.11), 55.3°(0.09), 56.8°(0.06), 62.9°(0.05), 67.2°(0.3), 74.0°(0.26), 78.1°(0.05), 88.5°(0.11), 89.8°(0.2).
Generate atomic structure description with lattice lengths, angles, co... | JVASP-65017 | 5.12 5.12 5.12
60 60 60
Be 0.000 0.000 0.000
Nb 0.250 0.250 0.250
Ga 0.124 0.625 0.625
Ga 0.625 0.625 0.625
Ga 0.625 0.124 0.625
Ga 0.625 0.625 0.124 |
Below is a description of a material. | The chemical formula is: BaMoP2O8.
The XRD pattern shows main peaks at: 19.8°(0.9), 21.4°(0.67), 22.8°(0.28), 23.4°(0.35), 29.7°(1.0), 31.1°(0.66), 32.8°(0.14), 33.7°(0.37), 36.7°(0.56), 41.1°(0.3), 42.1°(0.19), 43.7°(0.13), 45.8°(0.22), 47.7°(0.18), 50.1°(0.2), 51.6°(0.13), 57.8°(0.13), 59.9°(0.15), 62.2°(0.13), 63.0°... | JVASP-111893 | 4.94 4.94 7.83
86 86 65
Ba 0.000 0.000 0.000
Mo 0.000 -0.000 0.500
P 0.370 0.370 0.290
P 0.630 0.630 0.710
O 0.762 0.286 0.687
O 0.686 0.686 0.890
O 0.238 0.714 0.313
O 0.235 0.235 0.438
O 0.765 0.765 0.562
O 0.715 0.238 0.313
O 0.314 0.314 0.110
O 0.285 0.762 0.687 |
Below is a description of a material. | The chemical formula is: LiVCrP2H2O10.
The XRD pattern shows main peaks at: 18.2°(0.49), 18.6°(0.67), 22.5°(0.25), 26.0°(0.31), 26.5°(0.29), 27.0°(0.81), 27.4°(1.0), 29.6°(0.76), 35.3°(0.25), 36.8°(0.42), 37.8°(0.12), 41.4°(0.15), 42.2°(0.13), 44.9°(0.14), 46.1°(0.2), 47.0°(0.13), 50.6°(0.14), 55.8°(0.3), 56.6°(0.22), ... | JVASP-165759 | 5.27 7.24 5.16
109 98 106
Li 0.572 0.132 0.193
V 0.004 0.507 0.002
Cr 0.991 0.998 0.000
P 0.346 0.233 0.675
P 0.653 0.771 0.335
H 0.036 0.340 0.354
H 0.020 0.681 0.658
O 0.044 0.729 0.867
O 0.174 0.378 0.706
O 0.349 0.632 0.272
O 0.254 0.074 0.365
O 0.317 0.126 0.888
O 0.673 0.886 0.130
O 0.748 0.931 0.641
O 0.653 0.35... |
Below is a description of a material. | The chemical formula is: InCu6O8.
The XRD pattern shows main peaks at: 16.7°(0.44), 33.7°(1.0), 39.1°(0.3), 56.5°(0.44), 67.4°(0.36), 70.9°(0.07), 84.0°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-122400 | 6.52 6.52 6.52
60 60 60
In 0.000 0.000 0.000
Cu 0.000 0.000 0.500
Cu 0.500 0.000 0.000
Cu 0.000 0.500 0.000
Cu 0.500 0.500 0.000
Cu 0.000 0.500 0.500
Cu 0.500 0.000 0.500
O 0.143 0.143 0.572
O 0.143 0.572 0.143
O 0.572 0.143 0.143
O 0.857 0.428 0.857
O 0.143 0.143 0.143
O 0.857 0.857 0.857
O 0.857 0.857 0.428
O 0.428 0... |
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