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: SiC.
The XRD pattern shows main peaks at: 33.4°(0.24), 34.6°(0.94), 35.4°(0.65), 37.9°(1.0), 43.0°(0.18), 49.4°(0.09), 56.9°(0.24), 59.7°(0.56), 70.8°(0.11), 71.3°(0.47), 72.9°(0.16), 87.0°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-107 | 3.10 3.10 10.15
90 90 120
Si 0.667 0.333 0.938
Si 0.333 0.667 0.438
Si 0.000 0.000 0.688
Si 0.000 0.000 0.188
C 0.667 0.333 0.750
C 0.333 0.667 0.250
C 0.000 0.000 0.500
C 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: FeSiO3.
The XRD pattern shows main peaks at: 13.7°(1.0), 18.6°(0.58), 27.1°(0.27), 27.6°(0.2), 29.2°(0.59), 29.9°(1.0), 32.0°(0.17), 35.1°(0.71), 36.2°(0.52), 41.5°(0.45), 42.2°(0.4), 46.5°(0.38), 46.9°(0.21), 52.0°(0.16), 54.9°(0.23), 55.4°(0.24), 56.6°(0.19), 58.1°(0.15), 66.5°(0.18), 68.2°(0... | JVASP-146895 | 5.31 6.73 6.73
81 74 74
Fe 0.247 0.792 0.713
Fe 0.753 0.208 0.287
Fe 0.237 0.074 0.421
Fe 0.763 0.926 0.579
Si 0.236 0.223 0.897
Si 0.267 0.595 0.276
Si 0.764 0.777 0.103
Si 0.733 0.405 0.724
O 0.642 0.948 0.278
O 0.852 0.235 0.549
O 0.625 0.641 0.634
O 0.873 0.874 0.868
O 0.375 0.359 0.366
O 0.522 0.667 0.106
O 0.478 ... |
Below is a description of a material. | The chemical formula is: Zr2AsRh.
The XRD pattern shows main peaks at: 38.4°(1.0), 55.5°(0.19), 69.5°(0.35), 82.4°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-183518 | 4.68 4.68 4.68
60 60 60
Zr 0.000 0.000 -0.000
Zr 0.250 0.250 0.250
As 0.500 0.500 0.500
Rh 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: ZrMo.
The XRD pattern shows main peaks at: 31.5°(0.29), 38.3°(1.0), 43.3°(0.16), 54.5°(0.12), 56.1°(0.22), 70.0°(0.16), 73.4°(0.19), 76.1°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-123411 | 3.28 3.28 4.18
90 90 120
Zr 0.333 0.667 0.750
Mo 0.667 0.333 0.250 |
Below is a description of a material. | The chemical formula is: H3C2SNO.
The XRD pattern shows main peaks at: 19.2°(0.28), 19.6°(0.22), 22.5°(0.28), 26.2°(1.0), 28.9°(0.12), 30.6°(0.14), 32.9°(0.12), 33.5°(0.07), 34.3°(0.09), 39.0°(0.11), 39.7°(0.09), 40.7°(0.05), 45.8°(0.08), 54.0°(0.05), 72.4°(0.05).
Generate atomic structure description with lattice leng... | JVASP-103814 | 4.17 6.51 6.82
90 89 71
H 0.896 0.967 0.157
H 0.896 0.467 0.657
H 0.658 0.869 0.333
H 0.658 0.369 0.833
H 0.172 0.778 0.538
H 0.172 0.278 0.038
C 0.916 0.852 0.277
C 0.916 0.352 0.777
C 0.080 0.124 0.700
C 0.080 0.624 0.200
S 0.364 0.934 0.817
S 0.364 0.434 0.317
N 0.138 0.891 0.428
N 0.138 0.391 0.928
O 0.960 0.099 0.... |
Below is a description of a material. | The chemical formula is: YScIr.
The XRD pattern shows main peaks at: 23.4°(0.86), 38.7°(1.0), 45.7°(0.42), 55.9°(0.17), 61.4°(0.18), 70.1°(0.33), 75.0°(0.14), 83.0°(0.1), 87.8°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-156354 | 4.65 4.65 4.65
60 60 60
Y 0.750 0.750 0.750
Sc 0.250 0.250 0.250
Ir 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Ti2AgW.
The XRD pattern shows main peaks at: 13.7°(0.12), 27.7°(0.29), 39.6°(1.0), 49.0°(0.12), 57.4°(0.12), 64.9°(0.09), 71.9°(0.26), 85.2°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-186983 | 3.21 3.21 6.47
90 90 90
Ag 0.500 0.500 0.500
W 0.500 0.500 0.000
Ti 0.000 0.000 0.774
Ti -0.000 -0.000 0.226 |
Below is a description of a material. | The chemical formula is: LiFeF.
The XRD pattern shows main peaks at: 16.0°(1.0), 32.4°(0.31), 36.4°(0.34), 37.3°(0.44), 40.0°(0.26), 40.8°(0.18), 49.5°(0.24), 50.2°(0.17), 53.1°(0.21), 55.8°(0.2), 63.0°(0.08), 63.6°(0.21), 75.5°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and ... | JVASP-138807 | 2.47 6.05 2.41
90 90 66
Li 0.012 -0.174 0.000
Fe -0.058 0.397 0.000
F 0.293 0.046 0.000 |
Below is a description of a material. | The chemical formula is: ZnSi2NiO6.
The XRD pattern shows main peaks at: 13.8°(0.58), 19.5°(0.58), 27.8°(0.41), 29.3°(0.63), 30.4°(0.29), 31.1°(0.58), 34.5°(1.0), 36.2°(0.5), 36.8°(0.22), 38.0°(0.17), 41.8°(0.56), 43.8°(0.28), 45.8°(0.13), 47.3°(0.2), 56.1°(0.15), 56.4°(0.28), 59.5°(0.13), 61.7°(0.35), 68.1°(0.32), 73.... | JVASP-142822 | 5.28 6.63 6.63
85 75 75
Zn 0.750 0.242 0.758
Zn 0.250 0.758 0.242
Si 0.241 0.217 0.389
Si 0.259 0.611 0.783
Si 0.741 0.389 0.217
Si 0.759 0.783 0.611
Ni 0.750 0.904 0.096
Ni 0.250 0.096 0.904
O 0.646 0.961 0.795
O 0.854 0.205 0.039
O 0.628 0.623 0.134
O 0.872 0.866 0.377
O 0.372 0.377 0.866
O 0.011 0.609 0.675
O 0.989 ... |
Below is a description of a material. | The chemical formula is: Sr3SbP.
The XRD pattern shows main peaks at: 22.0°(0.09), 27.0°(1.0), 31.3°(0.76), 44.9°(0.58), 53.2°(0.51), 55.8°(0.19), 65.4°(0.09), 72.1°(0.21), 74.3°(0.25), 82.8°(0.19), 89.1°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-36489 | 5.71 5.71 5.71
90 90 90
Sr 0.000 0.500 0.500
Sr 0.500 0.000 0.500
Sr 0.500 0.500 0.000
Sb 0.000 0.000 0.000
P 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Ta5Ni4P4.
The XRD pattern shows main peaks at: 12.6°(0.32), 28.3°(0.24), 32.3°(0.63), 37.2°(0.99), 38.3°(0.38), 40.5°(0.5), 41.5°(1.0), 45.5°(0.33), 46.5°(0.39), 51.7°(0.28), 58.6°(0.12), 62.5°(0.16), 65.5°(0.21), 66.2°(0.21), 67.7°(0.25), 68.5°(0.11), 72.1°(0.2), 74.3°(0.27), 88.0°(0.1), 88.9°... | JVASP-153645 | 7.26 7.26 7.26
93 93 151
Ta 0.131 0.806 0.936
Ta 0.869 0.194 0.064
Ta 0.194 0.131 0.325
Ta 0.806 0.869 0.675
Ta 0.500 0.500 0.000
Ni 0.389 0.912 0.302
Ni 0.611 0.088 0.698
Ni 0.088 0.389 0.477
Ni 0.912 0.611 0.523
P 0.241 0.556 0.797
P 0.759 0.444 0.203
P 0.444 0.241 0.686
P 0.556 0.759 0.314 |
Below is a description of a material. | The chemical formula is: YGa6.
The XRD pattern shows main peaks at: 31.7°(0.27), 32.1°(1.0), 35.5°(0.63), 41.3°(0.5), 41.7°(0.5), 42.7°(0.34), 44.4°(0.05), 47.1°(0.23), 48.0°(0.18), 49.6°(0.09), 53.0°(0.06), 54.1°(0.21), 57.6°(0.06), 59.8°(0.05), 63.3°(0.07), 65.4°(0.13), 69.2°(0.16), 70.3°(0.28), 71.6°(0.13), 77.4°(0.... | JVASP-152946 | 5.99 5.99 7.57
90 90 90
Y 0.000 0.500 0.000
Y 0.500 0.000 0.000
Ga 0.000 0.000 0.162
Ga 0.000 0.000 0.838
Ga 0.500 0.500 0.838
Ga 0.500 0.500 0.162
Ga 0.678 0.178 0.351
Ga 0.322 0.822 0.351
Ga 0.822 0.678 0.351
Ga 0.178 0.322 0.351
Ga 0.322 0.178 0.649
Ga 0.678 0.822 0.649
Ga 0.178 0.678 0.649
Ga 0.822 0.322 0.649 |
Below is a description of a material. | The chemical formula is: CeCoGe2.
The XRD pattern shows main peaks at: 30.6°(0.15), 34.3°(1.0), 38.7°(0.23), 40.7°(0.05), 43.2°(0.34), 48.6°(0.08), 53.9°(0.11), 56.2°(0.13), 59.4°(0.15), 62.7°(0.15), 67.1°(0.06), 71.4°(0.09), 73.5°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates a... | JVASP-149748 | 8.63 8.63 4.20
90 90 151
Ce 0.890 0.110 0.250
Ce 0.110 0.890 0.750
Co 0.680 0.320 0.250
Co 0.320 0.680 0.750
Ge 0.544 0.456 0.250
Ge 0.456 0.544 0.750
Ge 0.250 0.750 0.250
Ge 0.750 0.250 0.750 |
Below is a description of a material. | The chemical formula is: ThAl2Ni3.
The XRD pattern shows main peaks at: 19.1°(0.39), 30.5°(1.0), 33.4°(0.27), 38.8°(0.64), 41.3°(0.77), 48.0°(0.15), 57.9°(0.36), 59.8°(0.15), 63.4°(0.29), 65.1°(0.21), 70.2°(0.15), 78.5°(0.18), 84.9°(0.1), 89.6°(0.17).
Generate atomic structure description with lattice lengths, angles, ... | JVASP-100794 | 5.36 5.36 3.79
90 90 120
Th 0.000 0.000 0.000
Al 0.667 0.333 0.000
Al 0.333 0.667 0.000
Ni 0.500 0.500 0.500
Ni 0.500 0.000 0.500
Ni 0.000 0.500 0.500 |
Below is a description of a material. | The chemical formula is: ErInPt4.
The XRD pattern shows main peaks at: 20.2°(0.17), 33.2°(0.17), 39.2°(1.0), 41.0°(0.51), 47.7°(0.1), 59.4°(0.07), 63.4°(0.33), 69.8°(0.29), 83.1°(0.11), 84.2°(0.19).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-94335 | 5.39 5.39 5.39
60 60 60
Er 0.000 0.000 0.000
In 0.750 0.750 0.750
Pt 0.874 0.375 0.375
Pt 0.375 0.874 0.375
Pt 0.375 0.375 0.874
Pt 0.375 0.375 0.375 |
Below is a description of a material. | The chemical formula is: Li2FeP4O12.
The XRD pattern shows main peaks at: 13.3°(0.46), 18.8°(0.35), 20.6°(0.2), 22.7°(0.21), 25.5°(0.09), 26.2°(1.0), 26.8°(0.22), 27.4°(0.09), 27.9°(0.39), 31.6°(0.26), 31.9°(0.35), 34.0°(0.26), 35.9°(0.17), 39.7°(0.07), 40.5°(0.15), 46.3°(0.1), 50.1°(0.06), 54.0°(0.11), 57.2°(0.06), 58... | JVASP-48307 | 5.14 7.28 7.14
111 85 113
Li 0.942 0.276 0.438
Li 0.058 0.724 0.562
Fe 0.000 0.000 0.000
P 0.550 0.206 0.789
P 0.438 0.578 0.770
P 0.562 0.422 0.230
P 0.450 0.794 0.211
O 0.300 0.012 0.806
O 0.590 0.659 0.270
O 0.750 0.727 0.793
O 0.248 0.562 0.615
O 0.752 0.438 0.385
O 0.700 0.988 0.194
O 0.410 0.341 0.730
O 0.308 0.6... |
Below is a description of a material. | The chemical formula is: YbSbAu.
The XRD pattern shows main peaks at: 23.4°(0.07), 24.9°(0.26), 32.2°(1.0), 38.4°(0.86), 42.0°(0.31), 45.5°(0.08), 51.0°(0.3), 53.1°(0.07), 58.2°(0.11), 62.9°(0.12), 65.6°(0.29), 69.5°(0.16), 72.0°(0.12), 78.5°(0.07), 82.4°(0.1).
Generate atomic structure description with lattice lengths... | JVASP-63315 | 4.68 4.68 7.62
90 90 119
Yb 0.000 0.000 0.245
Yb 0.000 0.000 0.745
Sb 0.333 0.667 0.465
Sb 0.667 0.333 0.965
Au 0.333 0.667 0.064
Au 0.667 0.333 0.564 |
Below is a description of a material. | The chemical formula is: TiO2.
The XRD pattern shows main peaks at: 31.7°(1.0), 36.8°(0.32), 41.3°(0.24), 45.5°(0.09), 53.0°(0.49), 63.1°(0.61), 66.3°(0.11), 86.9°(0.09), 89.7°(0.19).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-152565 | 4.89 4.89 4.89
90 90 90
Ti 0.000 0.000 0.000
Ti 0.500 0.000 0.500
Ti 0.000 0.500 0.500
Ti 0.500 0.500 0.000
O 0.342 0.342 0.342
O 0.158 0.658 0.842
O 0.658 0.842 0.158
O 0.842 0.158 0.658
O 0.658 0.658 0.658
O 0.842 0.342 0.158
O 0.342 0.158 0.842
O 0.158 0.842 0.342 |
Below is a description of a material. | The chemical formula is: LiZnS.
The XRD pattern shows main peaks at: 22.5°(1.0), 23.0°(0.74), 32.4°(0.63), 40.4°(0.58), 45.9°(0.14), 46.8°(0.69), 52.0°(0.15), 52.7°(0.15), 62.8°(0.3), 63.7°(0.08), 68.5°(0.13), 73.5°(0.09), 78.0°(0.16), 85.6°(0.12).
Generate atomic structure description with lattice lengths, angles, coo... | JVASP-135383 | 4.46 4.46 3.95
90 90 120
Li 0.000 0.000 0.000
Zn 0.667 0.333 0.000
S 0.333 0.667 0.000 |
Below is a description of a material. | The chemical formula is: MgFe4Cu3O12.
The XRD pattern shows main peaks at: 35.6°(1.0), 51.3°(0.3), 64.0°(0.51), 75.5°(0.13), 86.4°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-146246 | 6.17 6.17 6.17
109 109 109
Mg 1.000 0.000 1.000
Fe 0.500 -0.000 0.000
Fe -0.000 -0.000 0.500
Fe 0.500 0.500 0.500
Fe -0.000 0.500 -0.000
Cu -0.000 0.500 0.500
Cu 0.500 -0.000 0.500
Cu 0.500 0.500 0.000
O 0.823 0.699 0.522
O 0.478 0.177 0.301
O 0.699 0.522 0.823
O 0.177 0.699 0.876
O 0.301 0.124 0.823
O 0.876 0.177 0.69... |
Below is a description of a material. | The chemical formula is: CrRh.
The XRD pattern shows main peaks at: 24.2°(0.11), 33.9°(0.09), 42.1°(1.0), 48.8°(0.28), 49.5°(0.14), 71.4°(0.09), 72.0°(0.17), 86.5°(0.22), 87.7°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-193125 | 2.64 2.64 3.68
90 90 90
Cr 0.500 0.500 0.500
Rh 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: LiTiCl.
The XRD pattern shows main peaks at: 12.1°(0.98), 24.4°(0.09), 29.9°(1.0), 32.4°(0.35), 37.0°(0.25), 39.0°(0.1), 42.8°(0.33), 44.6°(0.13), 48.3°(0.41), 49.9°(0.06), 57.8°(0.23), 59.4°(0.1), 62.1°(0.1), 67.9°(0.06), 70.4°(0.13), 71.8°(0.05), 74.5°(0.1), 82.3°(0.16).
Generate atomic struc... | JVASP-136367 | 2.99 2.99 7.29
90 90 90
Li 0.000 0.000 0.304
Ti 0.000 0.000 0.690
Cl 0.000 0.000 0.001 |
Below is a description of a material. | The chemical formula is: YIrPd2.
The XRD pattern shows main peaks at: 23.5°(0.09), 38.8°(1.0), 56.1°(0.15), 70.3°(0.33), 83.3°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-183206 | 4.64 4.64 4.64
60 60 60
Y 0.000 -0.000 0.000
Ir 0.500 0.500 0.500
Pd 0.250 0.250 0.250
Pd 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: CuSbRh.
The XRD pattern shows main peaks at: 25.5°(0.4), 29.6°(0.1), 42.3°(1.0), 50.0°(0.17), 61.3°(0.14), 67.6°(0.07), 77.3°(0.3), 83.0°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-186369 | 4.27 4.27 4.27
60 60 60
Cu 0.750 0.750 0.750
Sb 0.250 0.250 0.250
Rh 0.000 0.000 -0.000 |
Below is a description of a material. | The chemical formula is: Be2TlTc.
The XRD pattern shows main peaks at: 20.4°(0.09), 27.3°(1.0), 36.0°(0.05), 40.3°(0.36), 41.7°(0.68), 51.8°(0.18), 59.5°(0.22), 67.6°(0.16), 68.5°(0.15), 76.0°(0.12), 82.6°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-74186 | 5.01 5.01 5.01
138 138 59
Be 0.000 0.000 0.000
Be 0.250 0.750 0.500
Tl 0.750 0.250 0.500
Tc 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: ZrBe2Co.
The XRD pattern shows main peaks at: 26.4°(1.0), 43.8°(0.96), 51.9°(0.46), 63.7°(0.15), 70.2°(0.17), 80.5°(0.28), 86.6°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-69691 | 4.13 4.13 4.13
120 120 89
Zr 0.750 0.250 0.500
Be 0.000 0.000 0.000
Be 0.250 0.750 0.500
Co 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: SrCu3Sn4O12.
The XRD pattern shows main peaks at: 22.8°(0.09), 32.5°(1.0), 46.7°(0.25), 58.0°(0.46), 68.1°(0.13), 77.6°(0.19).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-49289 | 6.74 6.74 6.74
109 109 109
Sr 0.000 0.000 0.000
Cu 0.500 0.500 -0.000
Cu -0.000 0.500 0.500
Cu 0.500 0.000 0.500
Sn 0.500 0.000 -0.000
Sn -0.000 0.500 -0.000
Sn 0.500 0.500 0.500
Sn 0.000 0.000 0.500
O 0.309 0.138 0.829
O 0.862 0.171 0.691
O 0.829 0.309 0.138
O 0.520 0.829 0.691
O 0.691 0.862 0.171
O 0.138 0.829 0.309
... |
Below is a description of a material. | The chemical formula is: MnSnB2O6.
The XRD pattern shows main peaks at: 17.4°(0.15), 22.1°(0.23), 24.3°(0.85), 31.7°(1.0), 37.3°(0.3), 41.5°(0.19), 45.0°(0.26), 49.8°(0.17), 52.2°(0.44), 52.6°(0.22), 59.9°(0.22), 63.8°(0.17), 67.3°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates a... | JVASP-12648 | 5.82 5.82 5.82
48 48 48
Mn 0.000 0.000 0.000
Sn 0.500 0.500 0.500
B 0.754 0.754 0.754
B 0.246 0.246 0.246
O 0.045 0.744 0.470
O 0.744 0.470 0.045
O 0.530 0.955 0.256
O 0.470 0.045 0.744
O 0.955 0.256 0.530
O 0.256 0.530 0.955 |
Below is a description of a material. | The chemical formula is: Ba4ZrSn.
The XRD pattern shows main peaks at: 15.4°(0.12), 25.3°(0.2), 29.7°(1.0), 31.1°(0.48), 36.0°(0.08), 44.5°(0.09), 47.4°(0.37), 51.9°(0.34), 60.9°(0.12), 61.7°(0.2), 72.9°(0.24), 76.4°(0.05), 84.1°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-64006 | 7.05 7.05 7.05
60 60 60
Ba 0.127 0.624 0.624
Ba 0.624 0.624 0.624
Ba 0.624 0.127 0.624
Ba 0.624 0.624 0.127
Zr 0.000 0.000 0.000
Sn 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: USb3.
The XRD pattern shows main peaks at: 15.9°(0.07), 22.0°(0.09), 30.5°(0.34), 32.1°(0.24), 35.7°(1.0), 44.9°(0.19), 57.2°(0.18), 57.7°(0.24), 66.3°(0.21), 69.3°(0.15), 85.6°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-100255 | 6.44 6.44 5.85
90 90 120
U 0.333 0.667 0.750
U 0.667 0.333 0.250
Sb 0.173 0.347 0.250
Sb 0.653 0.827 0.250
Sb 0.173 0.827 0.250
Sb 0.827 0.653 0.750
Sb 0.347 0.173 0.750
Sb 0.827 0.173 0.750 |
Below is a description of a material. | The chemical formula is: BeHg2Br.
The XRD pattern shows main peaks at: 10.0°(0.55), 29.5°(1.0), 30.4°(0.45), 34.5°(0.92), 39.5°(0.53), 40.9°(0.15), 41.6°(0.09), 50.1°(0.12), 50.7°(0.42), 57.1°(0.18), 58.2°(0.13), 59.8°(0.22), 65.6°(0.2), 66.1°(0.2), 68.4°(0.29), 79.4°(0.07), 85.0°(0.06), 87.3°(0.16).
Generate atomic st... | JVASP-71311 | 3.23 3.23 8.81
90 90 90
Be 0.000 0.000 0.517
Hg 0.000 0.000 0.012
Hg 0.500 0.500 0.308
Br 0.500 0.500 0.663 |
Below is a description of a material. | The chemical formula is: NaSnS.
The XRD pattern shows main peaks at: 13.9°(1.0), 18.6°(0.65), 19.8°(0.31), 23.3°(0.61), 27.3°(0.3), 28.1°(0.28), 31.5°(0.44), 33.9°(0.32), 36.9°(0.51), 40.5°(0.15), 44.6°(0.16), 45.2°(0.12), 47.0°(0.12), 47.7°(0.12), 49.2°(0.19), 50.0°(0.24), 55.6°(0.11), 60.1°(0.13), 63.5°(0.11), 65.8°(... | JVASP-137107 | 6.35 6.35 4.76
90 90 90
Na 0.308 -0.008 0.000
Sn 0.053 0.363 0.000
S -0.044 -0.087 0.000 |
Below is a description of a material. | The chemical formula is: NaMnO2.
The XRD pattern shows main peaks at: 14.0°(0.6), 23.1°(0.41), 33.9°(0.46), 36.3°(0.28), 37.0°(0.85), 39.8°(0.08), 42.6°(1.0), 54.1°(0.05), 57.7°(0.71), 58.6°(0.12), 65.0°(0.12), 66.2°(0.05), 70.9°(0.15), 71.3°(0.13), 75.3°(0.09), 77.2°(0.14), 78.8°(0.06).
Generate atomic structure descr... | JVASP-107587 | 2.87 4.86 6.31
90 90 90
Na 0.250 0.250 0.125
Na 0.750 0.750 0.875
Mn 0.250 0.250 0.626
Mn 0.750 0.750 0.374
O 0.750 0.250 0.418
O 0.250 0.750 0.582
O 0.750 0.250 0.830
O 0.250 0.750 0.170 |
Below is a description of a material. | The chemical formula is: MgRhN2.
The XRD pattern shows main peaks at: 20.4°(0.44), 21.5°(0.79), 26.5°(0.12), 30.9°(0.25), 31.2°(0.42), 33.7°(0.61), 35.3°(0.51), 35.6°(1.0), 37.9°(0.1), 39.7°(0.13), 44.1°(0.12), 46.6°(0.21), 48.5°(0.11), 55.2°(0.32), 55.8°(0.14), 56.6°(0.11), 61.5°(0.35), 66.2°(0.26), 66.9°(0.2), 67.8°(... | JVASP-121351 | 5.79 6.59 5.32
90 90 90
Mg 0.593 0.874 0.997
Mg 0.407 0.126 0.497
Mg 0.907 0.374 0.497
Mg 0.093 0.626 0.997
Rh 0.579 0.359 0.008
Rh 0.421 0.641 0.508
Rh 0.921 0.859 0.508
Rh 0.079 0.141 0.008
N 0.570 0.389 0.371
N 0.430 0.611 0.871
N 0.930 0.889 0.871
N 0.070 0.111 0.371
N 0.601 0.872 0.394
N 0.399 0.128 0.894
N 0.899 ... |
Below is a description of a material. | The chemical formula is: TiZnBi2O6.
The XRD pattern shows main peaks at: 11.0°(0.1), 22.1°(0.13), 22.8°(0.32), 32.0°(1.0), 32.4°(0.54), 39.6°(0.35), 40.9°(0.13), 45.2°(0.12), 46.5°(0.32), 52.4°(0.09), 56.7°(0.15), 57.6°(0.36), 62.6°(0.05), 63.6°(0.07), 66.8°(0.13), 67.9°(0.1), 77.0°(0.11), 81.5°(0.12), 85.3°(0.07).
Gen... | JVASP-151631 | 3.91 3.91 8.03
90 90 90
Ti 0.500 0.500 0.500
Zn 0.500 0.500 0.000
Bi 0.000 0.000 0.223
Bi 0.000 0.000 0.777
O 0.000 0.500 0.000
O 0.500 0.000 0.000
O 0.000 0.500 0.500
O 0.500 0.000 0.500
O 0.500 0.500 0.258
O 0.500 0.500 0.742 |
Below is a description of a material. | The chemical formula is: CeGePd2.
The XRD pattern shows main peaks at: 30.1°(0.48), 32.0°(0.39), 33.2°(0.45), 34.1°(0.8), 35.7°(1.0), 37.3°(0.69), 37.6°(0.9), 39.5°(0.21), 40.7°(0.21), 41.8°(0.17), 42.3°(0.39), 43.4°(0.42), 48.3°(0.3), 52.2°(0.17), 59.8°(0.14), 61.1°(0.3), 62.0°(0.19), 73.1°(0.21), 73.9°(0.13), 76.6°(0... | JVASP-153320 | 5.73 7.00 7.98
90 90 90
Ce 0.657 0.750 0.045
Ce 0.157 0.250 0.455
Ce 0.343 0.250 0.955
Ce 0.843 0.750 0.545
Ge 0.339 0.750 0.385
Ge 0.839 0.250 0.115
Ge 0.661 0.250 0.615
Ge 0.161 0.750 0.885
Pd 0.093 0.951 0.180
Pd 0.593 0.049 0.320
Pd 0.907 0.451 0.820
Pd 0.407 0.549 0.680
Pd 0.907 0.049 0.820
Pd 0.407 0.951 0.680
Pd... |
Below is a description of a material. | The chemical formula is: CaSmCd2.
The XRD pattern shows main peaks at: 20.3°(0.14), 33.5°(1.0), 39.5°(0.08), 48.1°(0.17), 59.9°(0.35), 70.4°(0.1), 80.3°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-41016 | 5.35 5.35 5.35
60 60 60
Ca 0.250 0.250 0.250
Sm 0.750 0.750 0.750
Cd 0.500 0.500 0.500
Cd 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: SmPa3.
The XRD pattern shows main peaks at: 32.7°(1.0), 38.0°(0.45), 54.8°(0.32), 65.3°(0.4), 68.6°(0.11), 81.1°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-125729 | 4.74 4.74 4.74
90 90 90
Sm 0.000 0.000 0.500
Pa 0.000 0.500 0.000
Pa 0.500 0.000 0.000
Pa 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Er2ZnRu.
The XRD pattern shows main peaks at: 26.0°(0.12), 37.1°(1.0), 53.5°(0.17), 66.9°(0.35), 79.0°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-161288 | 4.85 4.85 4.85
60 60 60
Er 0.000 0.000 0.000
Er 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: Tb2CBr.
The XRD pattern shows main peaks at: 12.5°(0.05), 27.9°(0.24), 28.6°(0.07), 33.9°(1.0), 49.4°(0.24), 61.3°(0.17), 82.4°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-35599 | 3.69 3.69 14.13
90 90 120
Tb 0.333 0.667 0.591
Tb 0.667 0.333 0.409
Tb 0.667 0.333 0.091
Tb 0.333 0.667 0.909
C 0.000 0.000 0.000
C 0.000 0.000 0.500
Br 0.333 0.667 0.250
Br 0.667 0.333 0.750 |
Below is a description of a material. | The chemical formula is: BaBeBr.
The XRD pattern shows main peaks at: 10.4°(0.4), 20.9°(0.28), 22.3°(1.0), 24.7°(0.21), 30.7°(0.4), 31.7°(0.46), 33.5°(0.11), 38.3°(0.24), 39.0°(0.37), 45.4°(0.33), 50.6°(0.09), 51.2°(0.2), 55.9°(0.15), 56.4°(0.13), 59.0°(0.1), 61.4°(0.19), 63.9°(0.09), 75.3°(0.11), 77.6°(0.09), 84.0°(0.... | JVASP-133852 | 3.99 3.99 8.50
90 90 90
Ba 0.000 0.000 0.067
Be 0.000 0.000 0.445
Br 0.000 0.000 0.690 |
Below is a description of a material. | The chemical formula is: K2BeTc.
The XRD pattern shows main peaks at: 22.9°(0.43), 28.0°(0.47), 32.2°(0.34), 36.5°(1.0), 39.9°(0.2), 46.8°(0.24), 52.7°(0.09), 55.0°(0.07), 55.5°(0.14), 58.0°(0.23), 60.3°(0.21), 63.2°(0.09), 68.3°(0.06), 75.0°(0.06), 77.6°(0.1), 80.1°(0.16), 86.1°(0.07).
Generate atomic structure descri... | JVASP-72153 | 3.88 3.88 5.55
90 90 90
K 0.000 0.500 0.000
K 0.500 0.000 0.000
Be 0.000 0.000 0.500
Tc 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: PaPt5.
The XRD pattern shows main peaks at: 33.7°(0.32), 39.7°(1.0), 41.6°(0.41), 60.3°(0.12), 64.4°(0.33), 70.9°(0.29), 80.8°(0.06), 84.5°(0.12), 85.7°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-93913 | 5.32 5.32 5.32
60 60 60
Pa 0.000 0.000 0.000
Pt 0.750 0.750 0.750
Pt 0.874 0.375 0.375
Pt 0.375 0.874 0.375
Pt 0.375 0.375 0.874
Pt 0.375 0.375 0.375 |
Below is a description of a material. | The chemical formula is: La3Mg.
The XRD pattern shows main peaks at: 17.2°(0.06), 19.6°(0.21), 25.0°(0.06), 30.5°(1.0), 31.4°(0.06), 34.7°(0.19), 35.6°(0.35), 41.0°(0.06), 50.6°(0.25), 51.3°(0.12), 60.8°(0.32), 63.4°(0.13), 83.5°(0.06), 85.8°(0.05), 86.3°(0.06).
Generate atomic structure description with lattice length... | JVASP-168072 | 5.04 5.04 10.34
90 90 90
La -0.000 -0.000 0.500
La 0.500 0.000 0.250
La 0.000 0.500 0.250
La 0.500 0.500 0.000
La -0.000 0.500 0.750
La 0.500 0.000 0.750
Mg 0.500 0.500 0.500
Mg 0.000 -0.000 -0.000 |
Below is a description of a material. | The chemical formula is: MnCu2PdS4.
The XRD pattern shows main peaks at: 29.5°(1.0), 33.5°(0.1), 48.1°(0.2), 49.6°(0.37), 57.5°(0.25), 60.0°(0.11), 70.4°(0.06), 80.4°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-155448 | 6.32 6.32 5.35
64 64 50
Mn 0.500 0.500 0.500
Cu 0.250 0.250 0.250
Cu 0.750 0.750 0.750
Pd 0.000 0.000 0.000
S 0.856 0.392 0.144
S 0.144 0.608 0.392
S 0.392 0.856 0.608
S 0.608 0.144 0.856 |
Below is a description of a material. | The chemical formula is: C2Br.
The XRD pattern shows main peaks at: 14.6°(0.64), 23.6°(0.22), 27.9°(1.0), 29.5°(0.44), 37.0°(0.29), 38.2°(0.13), 40.0°(0.45), 48.0°(0.25), 50.9°(0.16), 51.4°(0.15), 53.2°(0.18), 57.7°(0.1), 59.9°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and a... | JVASP-120013 | 3.98 3.98 6.05
90 89 142
C 0.158 0.676 0.415
C 0.661 0.174 0.415
Br 0.914 0.929 0.915 |
Below is a description of a material. | The chemical formula is: PrMg2Ag.
The XRD pattern shows main peaks at: 24.9°(0.53), 35.4°(1.0), 43.8°(0.16), 51.0°(0.18), 57.5°(0.22), 63.6°(0.36), 75.0°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-16435 | 5.07 5.07 5.07
60 60 60
Pr 0.500 0.500 0.500
Mg 0.750 0.750 0.750
Mg 0.250 0.250 0.250
Ag 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: DyCr2Si2.
The XRD pattern shows main peaks at: 16.5°(0.07), 24.6°(0.52), 32.9°(0.12), 33.4°(0.2), 34.2°(0.61), 37.0°(1.0), 47.2°(0.36), 48.6°(0.29), 53.9°(0.13), 59.1°(0.15), 59.6°(0.26), 62.1°(0.16), 65.6°(0.05), 69.0°(0.11), 70.1°(0.21), 79.3°(0.06), 81.0°(0.2), 89.0°(0.13).
Generate atomic s... | JVASP-93213 | 3.85 3.85 6.01
108 108 90
Dy 0.000 0.000 0.000
Cr 0.250 0.750 0.500
Cr 0.750 0.250 0.500
Si 0.384 0.384 0.769
Si 0.616 0.616 0.231 |
Below is a description of a material. | The chemical formula is: LiAlSn.
The XRD pattern shows main peaks at: 23.9°(1.0), 27.7°(0.27), 39.5°(0.57), 46.7°(0.47), 49.0°(0.07), 57.2°(0.11), 62.9°(0.2), 64.7°(0.11), 71.7°(0.21), 76.9°(0.16), 85.2°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-160804 | 4.56 4.56 4.56
60 60 60
Li 0.750 0.750 0.750
Al 0.250 0.250 0.250
Sn 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Mg2HgBi.
The XRD pattern shows main peaks at: 24.2°(0.72), 34.5°(1.0), 42.6°(0.23), 49.6°(0.18), 56.0°(0.3), 61.9°(0.35), 72.8°(0.12), 78.0°(0.16), 83.1°(0.17), 88.2°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-157318 | 5.20 5.20 5.20
60 60 60
Mg 0.000 0.000 0.000
Mg 0.500 0.500 0.500
Hg 0.750 0.750 0.750
Bi 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: B4MoIr.
The XRD pattern shows main peaks at: 11.8°(0.33), 23.7°(0.59), 35.0°(0.32), 37.1°(1.0), 42.7°(0.27), 48.5°(0.11), 51.0°(0.51), 61.2°(0.11), 62.8°(0.18), 68.1°(0.2), 73.0°(0.13), 75.2°(0.13), 83.1°(0.15), 85.0°(0.11).
Generate atomic structure description with lattice lengths, angles, co... | JVASP-102805 | 2.96 2.96 7.51
90 90 120
B 0.333 0.667 0.205
B 0.000 0.000 0.294
B 0.000 0.000 0.706
B 0.333 0.667 0.795
Mo 0.000 0.000 0.000
Ir 0.333 0.667 0.500 |
Below is a description of a material. | The chemical formula is: YTiS.
The XRD pattern shows main peaks at: 24.6°(0.16), 33.6°(1.0), 43.4°(0.39), 45.8°(0.1), 55.9°(0.2), 64.9°(0.21), 73.3°(0.18), 76.9°(0.08), 79.6°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-185119 | 4.17 4.17 3.96
90 90 120
Y 0.000 0.000 -0.000
Ti 0.667 0.333 0.500
S 0.333 0.667 0.500 |
Below is a description of a material. | The chemical formula is: Sc3PbN.
The XRD pattern shows main peaks at: 19.8°(0.52), 28.2°(0.76), 34.7°(1.0), 40.3°(0.59), 45.3°(0.31), 49.9°(0.31), 58.3°(0.36), 62.3°(0.16), 66.0°(0.14), 69.7°(0.4), 73.3°(0.13), 76.8°(0.08), 80.3°(0.18), 87.1°(0.06).
Generate atomic structure description with lattice lengths, angles, co... | JVASP-193613 | 4.47 4.47 4.47
90 90 90
Pb 0.000 0.000 0.000
Sc 0.000 0.500 0.500
Sc 0.500 0.500 0.000
Sc 0.500 0.000 0.500
N 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: ErFe2SiC.
The XRD pattern shows main peaks at: 17.0°(0.11), 21.6°(0.09), 25.5°(0.19), 26.6°(0.11), 28.9°(0.13), 31.8°(0.25), 35.4°(0.39), 37.2°(1.0), 38.0°(0.47), 44.1°(0.26), 49.2°(0.22), 52.2°(0.08), 54.8°(0.23), 59.8°(0.1), 61.4°(0.11), 63.2°(0.17), 66.3°(0.17), 68.2°(0.1), 69.5°(0.11), 84.1... | JVASP-102626 | 5.53 5.53 6.70
90 90 140
Er 0.550 0.450 0.250
Er 0.450 0.550 0.750
Fe 0.835 0.165 0.062
Fe 0.165 0.835 0.938
Fe 0.165 0.835 0.562
Fe 0.835 0.165 0.438
Si 0.270 0.730 0.250
Si 0.730 0.270 0.750
C 0.000 0.000 0.000
C 0.000 0.000 0.500 |
Below is a description of a material. | The chemical formula is: ScBeGe4.
The XRD pattern shows main peaks at: 20.1°(0.68), 33.1°(0.06), 39.0°(1.0), 40.8°(0.78), 47.5°(0.23), 52.0°(0.18), 63.0°(0.31), 69.4°(0.29), 73.0°(0.12), 82.5°(0.1), 83.7°(0.28), 88.4°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-65206 | 5.42 5.42 5.42
60 60 60
Sc 0.250 0.250 0.250
Be 0.000 0.000 0.000
Ge 0.124 0.625 0.625
Ge 0.625 0.625 0.625
Ge 0.625 0.124 0.625
Ge 0.625 0.625 0.124 |
Below is a description of a material. | The chemical formula is: Be2CdNi.
The XRD pattern shows main peaks at: 15.0°(0.17), 30.4°(0.52), 31.6°(1.0), 35.2°(0.15), 44.4°(0.94), 45.3°(0.47), 55.5°(0.4), 63.1°(0.07), 66.0°(0.14), 72.3°(0.19), 74.3°(0.15), 75.0°(0.15), 81.1°(0.13), 83.0°(0.29).
Generate atomic structure description with lattice lengths, angles, c... | JVASP-71588 | 2.83 2.83 5.89
90 90 90
Be 0.000 0.000 0.683
Be 0.000 0.000 0.317
Cd 0.500 0.500 0.000
Ni 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: W3Se2S4.
The XRD pattern shows main peaks at: 4.6°(0.14), 13.9°(1.0), 32.0°(0.2), 32.6°(0.13), 32.9°(0.17), 34.4°(0.07), 35.7°(0.08), 38.0°(0.31), 38.9°(0.37), 56.9°(0.2), 58.9°(0.15), 70.5°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-90296 | 3.24 3.24 19.24
94 90 120
W 0.224 0.447 0.017
W 0.445 0.889 0.681
W 0.665 0.330 0.343
Se 0.748 0.496 0.591
Se 0.808 0.616 0.770
S 0.359 0.718 0.424
S 0.530 0.059 0.936
S 0.584 0.168 0.099
S 0.304 0.609 0.261 |
Below is a description of a material. | The chemical formula is: Be2CuOs.
The XRD pattern shows main peaks at: 22.1°(0.17), 29.5°(1.0), 39.0°(0.09), 43.6°(0.35), 45.3°(0.61), 56.4°(0.16), 61.1°(0.06), 64.5°(0.1), 64.9°(0.22), 73.9°(0.15), 74.9°(0.13), 83.2°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-74663 | 4.64 4.64 4.64
138 138 59
Be 0.000 0.000 0.000
Be 0.250 0.750 0.500
Cu 0.500 0.500 0.000
Os 0.750 0.250 0.500 |
Below is a description of a material. | The chemical formula is: LiMn2F5.
The XRD pattern shows main peaks at: 17.2°(0.7), 19.1°(0.27), 23.5°(1.0), 25.1°(0.13), 29.3°(0.15), 31.2°(0.65), 34.0°(0.09), 34.5°(0.1), 35.6°(0.1), 38.8°(0.17), 43.3°(0.14), 43.7°(0.2), 44.6°(0.38), 47.5°(0.18), 50.4°(0.08), 55.5°(0.21), 56.5°(0.32), 60.6°(0.08), 64.2°(0.1), 67.2°(0.... | JVASP-48119 | 4.06 5.58 10.30
90 90 111
Li 0.178 0.355 0.250
Li 0.822 0.645 0.750
Mn 0.139 0.278 0.571
Mn 0.139 0.278 0.929
Mn 0.861 0.722 0.071
Mn 0.861 0.722 0.429
F 0.310 0.619 0.430
F 0.054 0.107 0.117
F 0.054 0.107 0.383
F 0.310 0.619 0.070
F 0.241 0.483 0.750
F 0.759 0.517 0.250
F 0.946 0.893 0.617
F 0.690 0.381 0.570
F 0.690 ... |
Below is a description of a material. | The chemical formula is: Li2GeAuS4.
The XRD pattern shows main peaks at: 17.4°(0.51), 17.9°(0.34), 22.2°(0.59), 28.3°(1.0), 30.6°(0.15), 31.5°(0.09), 36.2°(0.37), 41.9°(0.24), 45.2°(0.24), 47.9°(0.4), 48.8°(0.15), 50.9°(0.14), 54.2°(0.31), 58.9°(0.06), 63.3°(0.15), 65.8°(0.07), 85.4°(0.14).
Generate atomic structure de... | JVASP-155430 | 5.67 5.67 6.50
115 115 90
Li 0.750 0.250 0.500
Li 0.250 0.750 0.500
Ge 0.500 0.500 0.000
Au 0.000 0.000 0.000
S 0.393 0.393 0.248
S 0.854 0.854 0.248
S 0.607 0.146 0.752
S 0.146 0.607 0.752 |
Below is a description of a material. | The chemical formula is: Hf2MnIr.
The XRD pattern shows main peaks at: 24.0°(0.12), 39.7°(1.0), 57.4°(0.17), 72.1°(0.35), 85.6°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-79929 | 4.54 4.54 4.54
60 60 60
Hf 0.000 0.000 1.000
Hf 0.500 0.500 0.500
Mn 0.750 0.750 0.750
Ir 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: Yb2AlSi2.
The XRD pattern shows main peaks at: 18.3°(0.08), 19.5°(0.4), 26.0°(0.18), 26.9°(0.06), 29.2°(0.44), 32.8°(0.38), 35.4°(1.0), 39.7°(0.21), 41.7°(0.16), 48.1°(0.08), 50.0°(0.21), 55.4°(0.16), 57.1°(0.09), 59.3°(0.23), 61.0°(0.14), 69.2°(0.14), 70.3°(0.13), 71.8°(0.09), 78.1°(0.07), 87.... | JVASP-14268 | 6.84 6.84 4.54
90 90 90
Yb 0.326 0.826 0.500
Yb 0.826 0.674 0.500
Yb 0.174 0.326 0.500
Yb 0.674 0.174 0.500
Al 0.500 0.500 0.000
Al 0.000 0.000 0.000
Si 0.624 0.876 0.000
Si 0.876 0.376 0.000
Si 0.376 0.124 0.000
Si 0.124 0.624 0.000 |
Below is a description of a material. | The chemical formula is: TaAsOs2.
The XRD pattern shows main peaks at: 24.3°(0.08), 40.2°(1.0), 58.2°(0.18), 73.2°(0.35), 87.0°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-75537 | 4.48 4.48 4.48
60 60 60
Ta 0.250 0.250 0.250
As 0.500 0.500 0.500
Os 0.000 0.000 0.000
Os 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: KNa2BO3.
The XRD pattern shows main peaks at: 27.0°(0.32), 29.7°(0.26), 31.9°(0.59), 33.9°(0.69), 35.5°(0.44), 35.9°(0.68), 37.6°(0.82), 38.9°(0.41), 47.2°(1.0), 49.0°(0.11), 51.4°(0.13), 55.6°(0.1), 56.6°(0.18), 59.5°(0.21), 60.8°(0.15), 61.8°(0.32), 66.7°(0.12), 73.6°(0.1), 76.9°(0.11), 78.1°... | JVASP-10231 | 5.58 5.61 6.01
90 90 90
K 0.919 0.500 0.000
K 0.081 0.000 0.500
Na 0.374 0.500 0.270
Na 0.374 0.500 0.730
Na 0.626 0.000 0.230
Na 0.626 0.000 0.770
B 0.797 0.500 0.500
B 0.203 0.000 0.000
O 0.665 0.287 0.500
O 0.335 0.213 0.000
O 0.045 0.500 0.500
O 0.955 0.000 0.000
O 0.335 0.787 0.000
O 0.665 0.713 0.500 |
Below is a description of a material. | The chemical formula is: CoAgO2.
The XRD pattern shows main peaks at: 14.3°(0.08), 28.9°(0.56), 36.3°(0.19), 37.3°(1.0), 41.0°(0.46), 54.0°(0.4), 59.9°(0.06), 62.4°(0.23), 64.6°(0.23), 72.3°(0.22), 77.0°(0.1), 79.5°(0.07), 82.4°(0.06), 89.0°(0.09).
Generate atomic structure description with lattice lengths, angles, coo... | JVASP-47099 | 2.88 6.40 2.88
103 120 90
Co 0.500 0.500 -0.000
Ag 0.000 0.000 0.000
O 0.115 0.345 0.230
O 0.885 0.655 0.770 |
Below is a description of a material. | The chemical formula is: Li3VO3F2.
The XRD pattern shows main peaks at: 17.7°(0.74), 18.5°(0.92), 23.6°(0.23), 27.1°(1.0), 27.5°(0.22), 28.0°(0.3), 36.4°(0.07), 37.4°(0.11), 37.9°(0.48), 38.5°(0.09), 39.4°(0.1), 44.1°(0.43), 48.4°(0.1), 49.8°(0.35), 56.1°(0.23), 57.8°(0.09), 61.3°(0.08), 64.4°(0.08), 68.9°(0.1), 75.4°(... | JVASP-109824 | 3.66 5.19 6.49
53 90 69
Li 0.145 0.706 0.553
Li 0.678 0.644 0.915
Li 0.811 0.368 0.419
V 0.014 0.021 0.970
O 0.065 0.864 0.795
O 0.523 0.945 0.046
O 0.766 0.469 0.716
F 0.235 0.520 0.362
F 0.910 0.171 0.231 |
Below is a description of a material. | The chemical formula is: HIN.
The XRD pattern shows main peaks at: 23.2°(0.61), 26.3°(1.0), 35.4°(0.89), 46.4°(0.29), 47.5°(0.09), 52.5°(0.38), 54.1°(0.13), 55.1°(0.26), 59.7°(0.2), 68.6°(0.17), 74.0°(0.11), 74.8°(0.1), 78.8°(0.18), 80.4°(0.08).
Generate atomic structure description with lattice lengths, angles, coordi... | JVASP-118419 | 3.91 3.91 3.83
90 90 120
H 0.000 0.000 0.000
I 0.333 0.667 0.000
N 0.667 0.333 0.000 |
Below is a description of a material. | The chemical formula is: LiVF4.
The XRD pattern shows main peaks at: 18.6°(0.35), 24.7°(1.0), 32.5°(0.12), 37.7°(0.21), 46.6°(0.34), 50.6°(0.08), 53.5°(0.38), 61.5°(0.15), 68.1°(0.08), 73.6°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-47334 | 3.90 3.90 5.51
110 110 89
Li 0.751 0.248 0.502
V 0.001 0.998 0.002
F 0.800 0.797 0.600
F 0.202 0.200 0.404
F 0.988 0.485 0.975
F 0.515 0.012 0.029 |
Below is a description of a material. | The chemical formula is: BeTlSb4.
The XRD pattern shows main peaks at: 17.2°(0.25), 19.8°(0.19), 28.2°(0.19), 33.2°(1.0), 34.7°(0.45), 40.3°(0.07), 44.1°(0.08), 45.3°(0.08), 49.9°(0.08), 53.2°(0.36), 58.3°(0.25), 61.3°(0.05), 68.8°(0.12), 69.7°(0.18), 82.9°(0.22).
Generate atomic structure description with lattice leng... | JVASP-65282 | 6.33 6.33 6.33
60 60 60
Be 0.000 0.000 0.000
Tl 0.250 0.250 0.250
Sb 0.121 0.626 0.626
Sb 0.626 0.626 0.626
Sb 0.626 0.121 0.626
Sb 0.626 0.626 0.121 |
Below is a description of a material. | The chemical formula is: Zn2IN.
The XRD pattern shows main peaks at: 26.3°(0.39), 27.8°(0.27), 28.3°(0.32), 29.9°(0.85), 33.6°(1.0), 35.9°(0.16), 36.5°(0.67), 39.0°(0.28), 41.7°(0.4), 48.2°(0.16), 51.1°(0.11), 54.3°(0.19), 56.1°(0.16), 56.9°(0.18), 58.5°(0.16), 59.5°(0.13), 62.1°(0.15), 63.0°(0.11), 65.2°(0.16), 70.9°(... | JVASP-119428 | 6.31 6.42 8.00
90 90 90
Zn 0.250 0.652 0.697
Zn 0.250 0.152 0.803
Zn 0.750 0.348 0.303
Zn 0.750 0.848 0.197
Zn 0.000 0.000 0.500
Zn 0.500 0.500 0.000
Zn 0.500 0.000 0.500
Zn 0.000 0.500 0.000
I 0.250 0.418 0.382
I 0.250 0.918 0.118
I 0.750 0.582 0.618
I 0.750 0.082 0.882
N 0.250 0.442 0.874
N 0.250 0.942 0.626
N 0.750 ... |
Below is a description of a material. | The chemical formula is: LuGePt.
The XRD pattern shows main peaks at: 27.0°(0.23), 34.1°(0.31), 35.4°(1.0), 37.9°(0.07), 41.4°(0.55), 41.8°(0.35), 49.5°(0.06), 53.4°(0.07), 55.8°(0.19), 60.1°(0.11), 62.8°(0.06), 67.8°(0.17), 69.7°(0.07), 72.2°(0.11), 76.0°(0.08), 77.1°(0.12), 78.3°(0.06).
Generate atomic structure desc... | JVASP-21917 | 4.32 6.86 7.58
90 90 90
Lu 0.750 0.497 0.797
Lu 0.250 0.003 0.297
Lu 0.750 0.997 0.703
Lu 0.250 0.503 0.203
Ge 0.250 0.690 0.590
Ge 0.250 0.190 0.910
Ge 0.750 0.310 0.410
Ge 0.750 0.810 0.090
Pt 0.250 0.791 0.916
Pt 0.250 0.291 0.584
Pt 0.750 0.709 0.416
Pt 0.750 0.209 0.084 |
Below is a description of a material. | The chemical formula is: DyPOsO.
The XRD pattern shows main peaks at: 11.3°(0.29), 22.7°(0.29), 24.9°(0.26), 31.9°(0.58), 33.6°(1.0), 34.3°(0.25), 39.2°(0.53), 41.2°(0.06), 45.2°(0.5), 51.2°(0.12), 52.3°(0.08), 56.4°(0.23), 57.1°(0.45), 58.0°(0.23), 65.9°(0.14), 76.0°(0.2), 76.4°(0.11), 77.2°(0.09), 79.4°(0.13).
Genera... | JVASP-159742 | 4.01 4.01 7.84
90 90 90
Dy 0.000 0.000 0.134
Dy 0.500 0.500 0.866
P 0.500 0.500 0.341
P 0.000 0.000 0.659
Os 0.500 0.000 0.500
Os 0.000 0.500 0.500
O 0.500 0.000 0.000
O 0.000 0.500 0.000 |
Below is a description of a material. | The chemical formula is: ZrTi2Rh.
The XRD pattern shows main peaks at: 12.6°(0.05), 25.4°(0.13), 28.5°(0.17), 38.5°(1.0), 40.7°(0.45), 48.6°(0.12), 52.2°(0.1), 59.0°(0.16), 60.5°(0.06), 68.2°(0.15), 72.7°(0.32), 82.6°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-187030 | 3.13 3.13 7.01
90 90 90
Rh 0.500 0.500 -0.000
Zr 0.500 0.500 0.500
Ti 0.000 0.000 0.782
Ti -0.000 -0.000 0.218 |
Below is a description of a material. | The chemical formula is: Zn2P2O7.
The XRD pattern shows main peaks at: 17.5°(0.11), 20.2°(0.15), 29.5°(1.0), 30.1°(0.51), 35.3°(0.29), 42.8°(0.18), 43.6°(0.18), 44.7°(0.08), 49.0°(0.14), 52.1°(0.05), 54.2°(0.09), 56.6°(0.07), 57.6°(0.07), 58.2°(0.16), 60.5°(0.06), 62.6°(0.12), 70.9°(0.08).
Generate atomic structure des... | JVASP-34264 | 4.54 5.32 5.32
103 99 99
Zn 0.500 0.691 0.309
Zn 0.500 0.309 0.691
P 0.092 0.785 0.785
P 0.908 0.215 0.215
O 0.277 0.930 0.625
O 0.723 0.375 0.070
O 0.723 0.070 0.375
O 0.277 0.625 0.930
O 0.214 0.382 0.382
O -0.000 0.000 0.000
O 0.786 0.618 0.618 |
Below is a description of a material. | The chemical formula is: CaNi.
The XRD pattern shows main peaks at: 26.2°(0.06), 37.4°(1.0), 54.0°(0.15), 67.5°(0.31), 79.8°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-78435 | 3.40 3.40 3.40
90 90 90
Ca 0.000 0.000 0.000
Ni 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: KFeSeS.
The XRD pattern shows main peaks at: 15.9°(0.93), 27.8°(0.67), 30.9°(1.0), 31.8°(0.16), 32.2°(0.14), 33.7°(0.12), 35.9°(0.36), 40.8°(0.48), 42.8°(0.2), 44.2°(0.16), 44.5°(0.16), 48.7°(0.09), 49.2°(0.24), 52.7°(0.26), 54.4°(0.15), 54.9°(0.14), 56.1°(0.12), 56.9°(0.1), 57.6°(0.16), 59.8°(... | JVASP-102333 | 6.62 6.62 5.47
77 77 116
K 0.359 0.641 0.500
K 0.638 0.362 -0.000
Fe 0.003 0.997 0.500
Fe 0.007 0.993 0.000
Se 0.089 0.318 0.145
Se 0.682 0.911 0.855
S 0.923 0.701 0.349
S 0.299 0.077 0.651 |
Below is a description of a material. | The chemical formula is: Li8Co3NiO8.
The XRD pattern shows main peaks at: 20.4°(0.98), 21.6°(1.0), 24.1°(0.1), 27.9°(0.21), 31.8°(0.35), 33.7°(0.4), 35.0°(0.65), 37.0°(0.18), 38.1°(0.16), 41.0°(0.41), 41.6°(0.13), 42.9°(0.13), 47.3°(0.13), 48.1°(0.13), 49.4°(0.13), 51.8°(0.13), 53.0°(0.15), 54.2°(0.12), 55.6°(0.21), 62... | JVASP-141042 | 5.13 5.33 6.92
86 89 89
Li 0.755 -0.129 0.612
Li 0.712 0.248 0.285
Li 0.103 0.214 0.733
Li 0.354 0.422 0.079
Li 0.845 0.578 0.917
Li 0.599 0.795 0.281
Li 0.205 0.751 0.705
Li 0.253 0.146 0.398
Co 0.077 0.613 0.340
Co 0.581 0.395 0.640
Co 0.059 0.011 0.088
Ni 0.516 0.966 0.917
O 0.430 0.070 0.163
O 0.427 0.064 0.639
O 0... |
Below is a description of a material. | The chemical formula is: TaVNi.
The XRD pattern shows main peaks at: 21.0°(0.19), 22.1°(0.15), 23.7°(0.13), 30.6°(0.13), 36.8°(0.73), 39.7°(0.96), 42.7°(0.14), 43.3°(1.0), 44.2°(0.41), 45.0°(0.06), 61.6°(0.14), 66.2°(0.13), 68.2°(0.36), 70.7°(0.2), 73.9°(0.26), 78.2°(0.17).
Generate atomic structure description with la... | JVASP-143181 | 4.89 4.89 8.06
90 90 119
Ta 0.325 0.675 0.184
Ta 0.660 0.340 0.306
Ta 0.660 0.340 0.694
Ta 0.325 0.675 0.816
V 0.842 0.158 0.000
V 0.167 0.341 0.500
V 0.659 0.833 0.500
V 0.172 0.828 0.500
Ni -0.000 0.000 0.245
Ni -0.000 0.000 0.755
Ni 0.839 0.650 0.000
Ni 0.350 0.161 0.000 |
Below is a description of a material. | The chemical formula is: HfPd.
The XRD pattern shows main peaks at: 26.9°(0.11), 35.0°(1.0), 37.6°(0.18), 40.8°(0.19), 41.6°(0.29), 43.2°(0.43), 55.4°(0.16), 56.7°(0.11), 57.3°(0.11), 66.9°(0.09), 70.0°(0.09), 70.8°(0.07), 71.3°(0.11), 71.7°(0.1), 77.0°(0.08), 81.9°(0.1), 84.8°(0.11).
Generate atomic structure descript... | JVASP-36131 | 3.33 4.34 5.40
90 72 90
Hf 0.142 0.750 0.715
Hf 0.858 0.250 0.285
Pd 0.410 0.750 0.180
Pd 0.590 0.250 0.820 |
Below is a description of a material. | The chemical formula is: FePt.
The XRD pattern shows main peaks at: 23.7°(0.28), 32.8°(0.24), 40.9°(1.0), 47.1°(0.33), 48.5°(0.15), 53.4°(0.14), 59.8°(0.1), 68.8°(0.1), 69.9°(0.2), 73.9°(0.05), 83.3°(0.25), 85.3°(0.12), 88.6°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and ato... | JVASP-20447 | 2.73 2.73 3.76
90 90 90
Fe 0.000 0.000 0.000
Pt 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: TiNiSn.
The XRD pattern shows main peaks at: 25.1°(0.27), 29.1°(0.46), 41.6°(1.0), 51.5°(0.14), 60.2°(0.17), 68.2°(0.17), 75.8°(0.34).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-18299 | 4.35 4.35 4.35
60 60 60
Ti 0.250 0.250 0.250
Ni 0.000 0.000 0.000
Sn 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: In3Pt5.
The XRD pattern shows main peaks at: 8.0°(0.08), 25.0°(0.46), 29.8°(0.53), 41.2°(1.0), 44.0°(0.72), 51.3°(0.07), 54.1°(0.09), 61.9°(0.33), 79.0°(0.32), 80.9°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-106805 | 4.12 4.12 11.10
90 90 120
In 0.000 0.000 0.500
In 0.667 0.333 0.235
In 0.667 0.333 0.765
Pt 0.333 0.667 0.121
Pt 0.333 0.667 0.627
Pt 0.333 0.667 0.373
Pt 0.333 0.667 0.879
Pt 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: ZrH2O3.
The XRD pattern shows main peaks at: 21.8°(0.62), 24.1°(1.0), 28.4°(0.34), 34.2°(0.07), 40.7°(0.23), 41.1°(0.24), 42.4°(0.24), 42.9°(0.22), 43.7°(0.22), 44.5°(0.09), 49.4°(0.14), 53.0°(0.16), 54.1°(0.11), 57.0°(0.09), 57.6°(0.08), 59.9°(0.08), 62.5°(0.12), 63.0°(0.15), 69.1°(0.07), 72.0... | JVASP-135029 | 4.86 4.86 3.39
109 109 50
Zr 0.500 0.500 0.500
H 0.785 0.785 0.277
H 0.215 0.215 -0.277
O 0.662 0.662 0.157
O 1.000 1.000 0.500
O 0.338 0.338 -0.157 |
Below is a description of a material. | The chemical formula is: RbMnCl3.
The XRD pattern shows main peaks at: 25.1°(0.99), 30.8°(0.65), 35.8°(1.0), 44.2°(0.43), 51.5°(0.66), 58.1°(0.19), 61.2°(0.25), 64.2°(0.21), 70.1°(0.22), 75.8°(0.1), 81.3°(0.1), 84.0°(0.1), 86.7°(0.31).
Generate atomic structure description with lattice lengths, angles, coordinates and ... | JVASP-134533 | 5.02 5.02 5.02
90 90 90
Rb 0.000 0.000 0.000
Mn 0.500 0.500 0.500
Cl 0.500 0.000 0.500
Cl 0.500 0.500 0.000
Cl 0.000 0.500 0.500 |
Below is a description of a material. | The chemical formula is: CaNiN.
The XRD pattern shows main peaks at: 25.1°(0.12), 35.8°(1.0), 51.6°(0.19), 64.4°(0.31), 75.9°(0.1), 86.9°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-193042 | 3.55 3.55 3.54
90 90 90
Ca 0.000 -0.000 0.500
Ni 0.500 0.500 0.000
N 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: V3O4F2.
The XRD pattern shows main peaks at: 26.8°(0.98), 27.7°(1.0), 35.9°(0.88), 38.9°(0.08), 40.7°(0.18), 41.4°(0.18), 43.2°(0.07), 53.5°(0.45), 54.5°(0.49), 55.2°(0.16), 57.2°(0.18), 62.6°(0.17), 68.5°(0.25), 69.7°(0.09).
Generate atomic structure description with lattice lengths, angles, c... | JVASP-143292 | 4.62 5.50 7.54
84 88 88
V 0.492 0.837 0.674
V 0.506 0.497 0.977
V 0.539 0.163 0.346
V 0.015 0.335 0.667
V 0.946 0.657 0.321
V 0.005 0.007 0.008
O 0.198 0.297 0.900
O 0.292 0.799 0.901
O 0.304 0.134 0.566
O 0.705 0.864 0.437
O 0.689 0.205 0.105
O 0.791 0.698 0.100
O 0.806 0.368 0.433
O 0.706 0.534 0.760
F 0.203 0.964 0.... |
Below is a description of a material. | The chemical formula is: Ba4SiTc.
The XRD pattern shows main peaks at: 16.2°(0.35), 26.5°(0.1), 31.2°(1.0), 32.6°(0.61), 37.9°(0.17), 41.4°(0.11), 49.9°(0.32), 54.6°(0.33), 57.4°(0.08), 64.3°(0.12), 65.1°(0.26), 77.1°(0.21), 80.9°(0.05), 89.2°(0.06).
Generate atomic structure description with lattice lengths, angles, c... | JVASP-66351 | 6.72 6.72 6.72
60 60 60
Ba 0.125 0.625 0.625
Ba 0.625 0.625 0.625
Ba 0.625 0.125 0.625
Ba 0.625 0.625 0.125
Si 0.250 0.250 0.250
Tc 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: CaAgO2.
The XRD pattern shows main peaks at: 18.6°(0.4), 26.4°(0.2), 26.8°(0.17), 32.5°(0.69), 32.8°(0.64), 37.6°(0.49), 38.0°(1.0), 42.6°(0.2), 46.6°(0.08), 54.5°(0.6), 55.3°(0.15), 65.0°(0.26), 65.6°(0.18), 68.0°(0.14), 68.8°(0.14), 81.3°(0.08), 89.6°(0.09).
Generate atomic structure descript... | JVASP-36791 | 3.32 5.85 5.85
70 90 90
Ca 0.000 0.500 0.000
Ca 0.000 -0.000 0.500
Ag 0.500 0.500 0.500
Ag 0.500 0.000 0.000
O 0.500 0.223 0.223
O 0.000 0.708 0.292
O 0.000 0.292 0.708
O 0.500 0.777 0.777 |
Below is a description of a material. | The chemical formula is: HoGeO3.
The XRD pattern shows main peaks at: 22.9°(0.12), 32.6°(1.0), 40.2°(0.14), 46.8°(0.28), 52.7°(0.06), 58.2°(0.36), 68.3°(0.18), 77.7°(0.17), 86.8°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-37724 | 3.89 3.89 3.89
90 90 90
Ho 0.000 0.000 0.000
Ge 0.500 0.500 0.500
O 0.000 0.500 0.500
O 0.500 0.500 0.000
O 0.500 0.000 0.500 |
Below is a description of a material. | The chemical formula is: LiB3.
The XRD pattern shows main peaks at: 21.1°(1.0), 30.2°(0.06), 40.2°(0.08), 42.9°(0.06), 43.7°(0.05), 53.4°(0.17), 53.9°(0.1), 67.1°(0.07), 70.8°(0.07), 79.2°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-141120 | 5.96 5.96 4.15
90 90 90
Li 0.679 0.179 0.500
Li 0.321 0.821 0.500
Li 0.179 0.321 0.500
Li 0.821 0.679 0.500
B 0.500 0.500 0.705
B 0.000 0.000 0.705
B 0.500 0.500 0.295
B 0.000 0.000 0.295
B 0.632 0.665 0.000
B 0.368 0.335 0.000
B 0.132 0.835 0.000
B 0.868 0.165 0.000
B 0.335 0.632 0.000
B 0.665 0.368 0.000
B 0.165 0.13... |
Below is a description of a material. | The chemical formula is: YMg3.
The XRD pattern shows main peaks at: 18.9°(0.32), 19.5°(0.14), 26.8°(0.12), 27.3°(0.26), 33.4°(1.0), 38.3°(0.33), 39.7°(0.14), 43.1°(0.07), 47.7°(0.11), 55.3°(0.11), 56.3°(0.2), 66.2°(0.25), 68.0°(0.12), 70.2°(0.11).
Generate atomic structure description with lattice lengths, angles, coor... | JVASP-173472 | 6.54 4.54 4.70
90 90 134
Y 0.250 0.750 0.250
Mg 0.750 0.750 0.250
Mg 0.250 0.250 0.750
Mg 0.750 0.250 0.750 |
Below is a description of a material. | The chemical formula is: V2O3F.
The XRD pattern shows main peaks at: 26.3°(0.98), 27.9°(1.0), 36.4°(0.95), 38.7°(0.1), 40.9°(0.23), 42.0°(0.19), 44.6°(0.06), 53.3°(0.55), 54.2°(0.16), 55.1°(0.54), 57.7°(0.18), 62.0°(0.07), 64.0°(0.15), 64.5°(0.08), 68.6°(0.38), 70.4°(0.09), 71.2°(0.1), 83.1°(0.06), 88.6°(0.07).
Generat... | JVASP-46946 | 7.02 5.49 5.49
76 71 71
V 0.834 0.666 0.671
V 0.664 0.363 0.307
V 0.336 0.693 0.637
V 0.166 0.329 0.334
V 0.500 0.983 0.017
V -0.000 0.961 0.039
O -0.000 0.692 0.308
O 0.335 0.967 0.361
O 0.665 0.639 0.033
O 0.365 0.434 0.432
O 0.298 0.903 0.899
O 0.702 0.101 0.097
O 0.635 0.568 0.566
O 0.966 0.230 0.233
O 0.034 0.767 ... |
Below is a description of a material. | The chemical formula is: Pr4As3.
The XRD pattern shows main peaks at: 27.7°(0.15), 31.0°(1.0), 36.9°(0.66).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-57689 | 7.89 7.89 7.89
109 109 109
Pr 0.133 0.133 0.133
Pr 0.867 0.500 0.000
Pr 0.000 0.867 0.500
Pr 0.500 0.000 0.867
Pr 0.000 0.367 0.500
Pr 0.500 0.000 0.367
Pr 0.367 0.500 0.000
Pr 0.633 0.633 0.633
As 0.250 0.625 0.375
As 0.375 0.250 0.625
As 0.125 0.750 0.875
As 0.875 0.125 0.750
As 0.625 0.375 0.250
As 0.750 0.875 0.125 |
Below is a description of a material. | The chemical formula is: ScAlO2.
The XRD pattern shows main peaks at: 16.5°(0.43), 31.0°(0.08), 33.4°(0.74), 35.4°(0.77), 44.5°(1.0), 46.3°(0.21), 47.8°(0.08), 56.8°(0.51), 61.0°(0.42), 64.7°(0.28), 70.1°(0.05), 74.8°(0.22), 76.0°(0.18), 87.0°(0.1).
Generate atomic structure description with lattice lengths, angles, co... | JVASP-139428 | 2.88 2.88 5.36
90 90 90
Sc 0.500 0.500 0.487
Al 0.000 0.000 0.976
O 0.000 0.000 0.622
O 0.500 0.500 0.925 |
Below is a description of a material. | The chemical formula is: Sc2MnC.
The XRD pattern shows main peaks at: 25.8°(0.21), 42.7°(1.0), 50.5°(0.11), 62.0°(0.13), 78.2°(0.25).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-37106 | 4.24 4.24 4.24
60 60 60
Sc 0.250 0.250 0.250
Sc 0.750 0.750 0.750
Mn 0.500 0.500 0.500
C 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Na2Zn3S4.
The XRD pattern shows main peaks at: 13.7°(1.0), 17.5°(0.07), 18.2°(0.06), 27.6°(0.09), 31.5°(0.45), 33.2°(0.37), 34.4°(0.36), 39.5°(0.12), 41.3°(0.28), 42.3°(0.27), 46.7°(0.11), 48.3°(0.21), 52.5°(0.18), 53.3°(0.11), 54.2°(0.12), 56.2°(0.09), 57.1°(0.16), 62.4°(0.06), 71.0°(0.06).
Ge... | JVASP-35268 | 5.95 8.62 8.62
68 69 69
Na 0.753 0.623 0.377
Na 0.247 0.377 0.623
Na 0.747 0.123 0.877
Na 0.253 0.877 0.123
Zn 0.750 0.457 0.043
Zn 0.250 0.543 0.957
Zn 0.750 0.043 0.457
Zn 0.250 0.250 0.250
Zn 0.750 0.750 0.750
Zn 0.250 0.957 0.543
S 0.089 0.769 0.507
S 0.589 0.007 0.269
S 0.135 0.269 0.007
S 0.911 0.231 0.493
S 0.36... |
Below is a description of a material. | The chemical formula is: K2AgP.
The XRD pattern shows main peaks at: 14.7°(1.0), 18.2°(0.41), 23.2°(0.1), 27.7°(0.18), 29.8°(0.72), 33.6°(0.88), 35.3°(0.25), 36.3°(0.34), 36.8°(0.09), 38.3°(0.32), 42.7°(0.34), 48.2°(0.08), 51.1°(0.17), 54.2°(0.15), 55.1°(0.27), 56.5°(0.09), 57.1°(0.09), 57.7°(0.15), 59.5°(0.08), 70.7°(... | JVASP-3045 | 5.95 6.21 6.21
103 90 90
K 0.750 0.312 0.969
K 0.750 0.969 0.312
K 0.250 0.688 0.031
K 0.250 0.031 0.688
Ag 0.500 0.500 0.500
Ag 0.000 0.500 0.500
P 0.750 0.757 0.757
P 0.250 0.243 0.243 |
Below is a description of a material. | The chemical formula is: Ta2NbTc.
The XRD pattern shows main peaks at: 27.7°(0.1), 39.1°(1.0), 39.5°(0.47), 55.8°(0.08), 57.1°(0.15), 70.5°(0.17), 71.4°(0.34), 84.0°(0.11), 85.1°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-190023 | 3.22 3.22 6.59
90 90 90
Nb 0.500 0.500 0.500
Tc 0.500 0.500 0.000
Ta -0.000 -0.000 0.760
Ta 0.000 -0.000 0.240 |
Below is a description of a material. | The chemical formula is: PaHgTe2.
The XRD pattern shows main peaks at: 23.2°(0.08), 33.0°(1.0), 47.4°(0.19), 59.0°(0.38), 69.3°(0.12), 78.9°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-109069 | 5.43 5.43 5.43
60 60 60
Pa 0.000 0.000 0.000
Hg 0.500 0.500 0.500
Te 0.250 0.250 0.250
Te 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: LiLuO2.
The XRD pattern shows main peaks at: 22.3°(1.0), 34.3°(0.5), 36.2°(0.21), 41.5°(0.28), 47.7°(0.24), 50.5°(0.12), 54.8°(0.13), 56.3°(0.21), 60.2°(0.1), 63.9°(0.1), 65.0°(0.05), 67.4°(0.11), 71.1°(0.12), 72.3°(0.1).
Generate atomic structure description with lattice lengths, angles, coord... | JVASP-49861 | 4.35 5.84 4.35
68 90 111
Li 0.250 0.500 0.250
Li 0.500 0.000 0.500
Lu 0.000 0.000 0.000
Lu 0.750 0.500 0.750
O 0.774 0.549 0.226
O 0.226 0.451 0.774
O 0.524 0.049 0.976
O 0.976 0.951 0.524 |
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