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: RbFeO2.
The XRD pattern shows main peaks at: 17.8°(0.25), 19.2°(0.64), 21.2°(0.22), 22.5°(0.8), 23.2°(0.33), 24.9°(0.57), 26.0°(0.52), 27.6°(0.94), 28.5°(0.23), 30.3°(0.98), 33.4°(0.28), 33.9°(1.0), 34.2°(0.3), 38.3°(0.25), 43.1°(0.27), 44.1°(0.26), 44.9°(0.39), 48.1°(0.25), 51.7°(0.24), 55.2°(... | JVASP-119384 | 5.39 9.86 6.53
83 92 71
Rb 0.846 0.348 0.014
Rb 0.346 0.848 0.514
Rb 0.154 0.652 -0.014
Rb 0.654 0.152 0.486
Fe 0.250 0.499 0.503
Fe 0.250 0.001 -0.003
Fe 0.750 0.999 0.003
Fe 0.750 0.501 0.497
O 0.998 0.487 0.313
O 0.498 -0.014 0.813
O 0.509 0.464 0.323
O 0.009 0.964 0.823
O 0.491 0.536 0.677
O -0.009 0.036 0.177
O 0.... |
Below is a description of a material. | The chemical formula is: Sb2O.
The XRD pattern shows main peaks at: 26.2°(0.72), 29.0°(0.78), 31.2°(1.0), 39.3°(0.24), 39.6°(0.24), 43.1°(0.65), 49.4°(0.26), 53.9°(0.1), 58.2°(0.23), 60.1°(0.09), 62.6°(0.06), 65.0°(0.11), 66.4°(0.14), 69.3°(0.12), 72.7°(0.1), 81.2°(0.06).
Generate atomic structure description with latt... | JVASP-185145 | 4.84 4.87 3.17
71 109 90
Sb 0.682 0.609 0.971
Sb 0.222 0.148 0.470
O -0.004 -0.075 0.970 |
Below is a description of a material. | The chemical formula is: FeH3.
The XRD pattern shows main peaks at: 21.6°(1.0), 40.9°(0.55), 44.1°(0.14), 46.8°(0.64), 61.7°(0.3), 74.5°(0.08), 78.7°(0.13), 83.0°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-125393 | 4.11 2.55 2.55
59 89 89
Fe 0.341 0.333 0.333
H 0.975 0.333 0.334
H 0.122 0.667 0.667
H -0.438 0.667 -0.334 |
Below is a description of a material. | The chemical formula is: LaSbPt2.
The XRD pattern shows main peaks at: 26.7°(0.12), 30.2°(0.33), 31.4°(1.0), 37.7°(0.35), 44.1°(0.51), 45.0°(0.37), 55.1°(0.27), 60.1°(0.18), 65.5°(0.12), 67.3°(0.16), 73.8°(0.11), 74.4°(0.17), 82.3°(0.16), 84.7°(0.16).
Generate atomic structure description with lattice lengths, angles, ... | JVASP-180124 | 4.03 4.03 5.93
90 90 90
La 0.500 0.500 0.561
Sb -0.000 -0.000 -0.019
Pt -0.000 -0.000 0.434
Pt 0.500 0.500 0.035 |
Below is a description of a material. | The chemical formula is: TiBe2Pb.
The XRD pattern shows main peaks at: 15.5°(0.6), 26.4°(1.0), 30.8°(0.62), 31.4°(0.32), 37.7°(0.49), 41.0°(0.26), 41.5°(0.65), 49.8°(0.37), 54.4°(0.17), 55.5°(0.1), 56.9°(0.11), 61.4°(0.18), 62.5°(0.09), 63.8°(0.18), 64.1°(0.17), 70.6°(0.3), 71.9°(0.13), 78.1°(0.1), 81.4°(0.08), 88.9°(0... | JVASP-71494 | 3.37 3.37 5.70
90 90 90
Ti 0.500 0.500 0.500
Be 0.000 0.000 0.679
Be 0.000 0.000 0.321
Pb 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: Mn2Ga5.
The XRD pattern shows main peaks at: 32.2°(0.33), 33.3°(0.39), 36.9°(0.26), 39.3°(0.19), 40.6°(0.6), 42.4°(1.0), 43.7°(0.34), 44.5°(0.19), 46.2°(0.17), 47.0°(0.77), 50.5°(0.38), 53.8°(0.12), 69.9°(0.14), 76.6°(0.07).
Generate atomic structure description with lattice lengths, angles, co... | JVASP-54349 | 2.69 8.79 8.79
90 90 90
Mn 0.500 0.678 0.822
Mn 0.500 0.322 0.178
Mn 0.500 0.822 0.322
Mn 0.500 0.178 0.678
Ga 1.000 0.295 0.435
Ga 0.000 0.795 0.065
Ga 1.000 0.565 0.295
Ga 0.000 -0.000 0.500
Ga 0.000 0.205 0.935
Ga 0.000 0.935 0.795
Ga 1.000 0.065 0.205
Ga 1.000 0.500 -0.000
Ga 0.000 0.435 0.705
Ga 1.000 0.705 0.565 |
Below is a description of a material. | The chemical formula is: Sr2NdBiO6.
The XRD pattern shows main peaks at: 20.6°(0.33), 28.8°(0.28), 29.4°(1.0), 29.8°(0.26), 42.0°(0.32), 46.5°(0.06), 47.2°(0.11), 51.4°(0.21), 51.8°(0.14), 52.6°(0.2), 60.8°(0.08), 69.0°(0.1), 84.5°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates a... | JVASP-55616 | 6.00 6.19 10.46
90 124 90
Sr 0.763 0.050 0.249
Sr 0.237 0.550 0.251
Sr 0.237 0.950 0.751
Sr 0.763 0.450 0.749
Nd 0.500 0.500 -0.000
Nd 0.500 0.000 0.500
Bi -0.000 0.500 0.500
Bi 0.000 0.000 0.000
O 0.655 0.045 0.762
O 0.345 0.545 0.738
O 0.127 0.787 0.440
O 0.873 0.287 0.060
O 0.873 0.213 0.560
O 0.766 0.692 0.554
O 0.... |
Below is a description of a material. | The chemical formula is: RbAu.
The XRD pattern shows main peaks at: 20.6°(0.08), 21.9°(0.51), 30.2°(1.0), 38.4°(0.34), 41.9°(0.08), 44.0°(0.07), 44.6°(0.08), 47.7°(0.13), 49.6°(0.25), 58.1°(0.21), 60.3°(0.07), 62.8°(0.05), 64.4°(0.21), 69.3°(0.11), 76.1°(0.07), 82.1°(0.07), 84.5°(0.07).
Generate atomic structure descri... | JVASP-131142 | 4.69 4.69 4.32
90 90 120
Rb 0.667 0.333 0.750
Au 0.333 0.667 0.250 |
Below is a description of a material. | The chemical formula is: Li6SiAg.
The XRD pattern shows main peaks at: 18.1°(0.84), 19.4°(0.18), 26.6°(1.0), 31.6°(0.38), 36.6°(0.2), 37.3°(0.21), 39.4°(0.12), 41.8°(0.47), 43.7°(0.17), 51.3°(0.18), 53.3°(0.29), 54.9°(0.11), 73.1°(0.08), 79.6°(0.08).
Generate atomic structure description with lattice lengths, angles, c... | JVASP-191016 | 4.57 5.67 5.67
119 90 90
Li 0.000 0.111 0.431
Li 0.000 0.569 0.889
Li 0.000 0.569 0.431
Li 0.500 0.412 0.081
Li 0.500 0.919 0.588
Li 0.500 0.919 0.081
Si 0.500 0.417 0.583
Ag 0.000 0.083 0.917 |
Below is a description of a material. | The chemical formula is: TiVSi.
The XRD pattern shows main peaks at: 12.7°(0.19), 36.2°(0.33), 38.2°(1.0), 38.8°(0.37), 44.6°(0.73), 46.8°(0.23), 51.7°(0.5), 64.8°(0.09), 65.3°(0.12), 66.5°(0.26), 72.3°(0.12), 73.0°(0.1), 76.1°(0.13), 88.6°(0.16).
Generate atomic structure description with lattice lengths, angles, coor... | JVASP-193361 | 3.54 3.54 6.96
90 90 90
Si 0.250 0.250 0.264
Si 0.750 0.750 0.736
Ti 0.250 0.250 0.638
Ti 0.750 0.750 0.362
V 0.250 0.750 0.000
V 0.750 0.250 0.000 |
Below is a description of a material. | The chemical formula is: YSi2.
The XRD pattern shows main peaks at: 23.3°(0.16), 23.6°(0.2), 28.8°(0.43), 34.2°(1.0), 37.5°(0.5), 46.0°(0.32), 48.1°(0.25), 52.3°(0.09), 60.8°(0.26), 67.0°(0.11), 68.8°(0.17), 71.1°(0.08), 77.5°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and at... | JVASP-173058 | 3.95 3.95 8.03
104 104 89
Y 0.625 0.375 0.750
Y 0.375 0.625 0.250
Si 0.044 0.794 0.588
Si 0.956 0.206 0.412
Si 0.206 0.956 0.912
Si 0.794 0.044 0.088 |
Below is a description of a material. | The chemical formula is: DyMn2Si2.
The XRD pattern shows main peaks at: 24.4°(0.53), 32.5°(0.1), 34.8°(0.74), 37.0°(1.0), 46.6°(0.36), 50.0°(0.23), 53.3°(0.07), 59.4°(0.38), 63.7°(0.16), 68.1°(0.11), 80.1°(0.19).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-15494 | 3.90 3.90 5.85
109 109 89
Dy 0.000 0.000 0.000
Mn 0.250 0.750 0.500
Mn 0.750 0.250 0.500
Si 0.621 0.621 0.241
Si 0.379 0.379 0.759 |
Below is a description of a material. | The chemical formula is: LiCoNiO4.
The XRD pattern shows main peaks at: 19.2°(1.0), 37.1°(0.26), 38.9°(0.17), 45.0°(0.39), 45.5°(0.18), 66.0°(0.21), 83.5°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-48298 | 5.66 5.66 5.66
119 60 89
Li 0.500 0.000 0.000
Li 0.500 0.500 0.500
Co 0.000 0.000 0.000
Co 0.500 -0.000 0.500
Ni -0.000 0.500 0.000
Ni -0.000 -0.000 0.500
O 0.214 0.764 0.022
O 0.240 0.229 0.969
O 0.241 0.236 0.522
O 0.240 0.792 0.531
O 0.760 0.208 0.469
O 0.759 0.764 0.478
O 0.760 0.771 0.031
O 0.786 0.236 0.978 |
Below is a description of a material. | The chemical formula is: YNi2B2.
The XRD pattern shows main peaks at: 26.6°(0.2), 31.8°(0.14), 32.7°(0.59), 37.4°(0.82), 37.9°(1.0), 40.5°(0.08), 44.0°(0.4), 44.5°(0.29), 46.3°(0.1), 52.7°(0.13), 54.5°(0.13), 55.7°(0.08), 56.5°(0.2), 61.8°(0.16), 63.1°(0.19), 68.4°(0.18), 69.6°(0.1), 77.3°(0.12), 82.3°(0.09), 87.0°(0.0... | JVASP-168026 | 4.95 4.95 6.08
103 102 115
Y 0.881 0.631 0.750
Y 0.119 0.369 0.250
Ni 0.533 0.977 0.699
Ni 0.278 0.333 0.801
Ni 0.467 0.023 0.301
Ni 0.722 0.667 0.199
B 0.846 0.028 0.524
B 0.505 0.822 0.976
B 0.154 0.972 0.476
B 0.495 0.178 0.024 |
Below is a description of a material. | The chemical formula is: Os.
The XRD pattern shows main peaks at: 40.3°(1.0), 46.9°(0.49), 68.5°(0.32), 82.6°(0.38), 87.1°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-16089 | 2.74 2.74 2.74
59 60 60
Os 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: YbBO3.
The XRD pattern shows main peaks at: 20.9°(0.61), 24.3°(0.94), 28.2°(0.31), 32.2°(1.0), 35.3°(0.39), 40.1°(0.18), 42.5°(0.12), 45.6°(0.2), 47.6°(0.25), 49.5°(0.38), 51.8°(0.16), 52.5°(0.28), 54.5°(0.26), 59.9°(0.08), 62.6°(0.09), 65.7°(0.11), 67.4°(0.13), 68.0°(0.14), 77.0°(0.09), 82.1°(... | JVASP-108048 | 3.88 3.88 8.51
90 90 109
Yb 0.916 0.916 0.500
Yb 0.916 0.916 0.000
B 0.511 0.228 0.250
B 0.228 0.511 0.750
O 0.675 0.340 0.392
O 0.340 0.675 0.608
O 0.340 0.675 0.892
O 0.675 0.340 0.108
O 0.171 -0.025 0.250
O -0.025 0.171 0.750 |
Below is a description of a material. | The chemical formula is: MnBe12.
The XRD pattern shows main peaks at: 17.6°(0.93), 25.1°(1.0), 35.7°(0.87), 40.1°(0.32), 44.2°(0.47), 48.0°(0.14), 51.4°(0.99), 54.7°(0.07), 58.0°(0.06), 61.2°(0.14), 67.1°(0.08), 70.0°(0.18), 73.0°(0.05), 75.7°(0.18), 78.4°(0.06), 81.4°(0.07), 84.0°(0.07), 86.8°(0.14).
Generate atomic s... | JVASP-153589 | 5.43 5.43 5.43
98 98 135
Mn 0.000 0.000 0.000
Be 0.000 0.500 -0.000
Be 0.500 0.000 0.000
Be 0.500 0.500 0.500
Be 0.000 -0.000 0.500
Be 0.654 0.000 0.654
Be 0.346 -0.000 0.346
Be -0.000 0.346 0.346
Be 0.000 0.654 0.654
Be 0.709 0.500 0.209
Be 0.291 0.500 0.791
Be 0.500 0.291 0.791
Be 0.500 0.709 0.209 |
Below is a description of a material. | The chemical formula is: CaBeHg2.
The XRD pattern shows main peaks at: 12.4°(0.63), 28.6°(0.97), 36.0°(1.0), 36.6°(0.58), 37.7°(0.2), 38.8°(0.2), 51.0°(0.06), 52.7°(0.18), 53.5°(0.27), 54.4°(0.08), 57.9°(0.05), 61.1°(0.24), 64.4°(0.13), 65.5°(0.34), 66.6°(0.16), 71.2°(0.16), 76.4°(0.08), 77.8°(0.06), 84.9°(0.05), 89.2°... | JVASP-68195 | 3.47 3.47 7.16
90 90 90
Ca 0.500 0.500 0.738
Be 0.000 0.000 0.428
Hg 0.000 0.000 0.018
Hg 0.500 0.500 0.317 |
Below is a description of a material. | The chemical formula is: CePr3.
The XRD pattern shows main peaks at: 30.1°(1.0), 34.9°(0.5), 50.2°(0.35), 59.7°(0.46), 62.7°(0.12), 73.8°(0.06), 81.7°(0.18), 84.3°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-111257 | 5.14 5.14 5.14
90 90 90
Ce 0.000 0.000 0.000
Pr 0.000 0.500 0.500
Pr 0.500 0.000 0.500
Pr 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: TiNbTc2.
The XRD pattern shows main peaks at: 24.5°(0.05), 40.5°(1.0), 58.7°(0.17), 73.7°(0.31), 87.7°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-191601 | 4.45 4.45 4.45
60 60 60
Nb 0.500 0.500 0.500
Tc 0.250 0.250 0.250
Tc 0.750 0.750 0.750
Ti -0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: ZrAlCoRu.
The XRD pattern shows main peaks at: 25.0°(0.2), 41.3°(1.0), 48.9°(0.05), 59.9°(0.18), 75.4°(0.34).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-187955 | 4.37 4.37 4.37
59 60 59
Ru 0.250 0.250 0.250
Co 0.750 0.750 0.750
Al -0.000 -0.000 -0.000
Zr 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: BaN6.
The XRD pattern shows main peaks at: 9.3°(0.21), 16.4°(0.18), 17.4°(0.64), 18.6°(0.56), 20.1°(0.38), 22.4°(1.0), 26.2°(0.41), 26.9°(0.2), 28.0°(0.19), 28.8°(0.83), 30.1°(0.37), 30.7°(0.87), 32.9°(0.27), 34.9°(0.62), 39.1°(0.33), 40.8°(0.24), 41.4°(0.35), 44.0°(0.28), 45.3°(0.28), 46.2°(0.... | JVASP-9100 | 5.49 4.36 9.69
90 99 90
Ba 0.170 0.750 0.217
Ba 0.830 0.250 0.783
N 0.707 0.750 0.332
N 0.293 0.250 0.668
N 0.860 0.250 0.096
N 0.140 0.750 0.904
N 0.647 0.250 0.107
N 0.353 0.750 0.893
N 0.436 0.250 0.115
N 0.564 0.750 0.885
N 0.225 0.250 0.419
N 0.775 0.750 0.581
N 0.259 0.250 0.544
N 0.741 0.750 0.456 |
Below is a description of a material. | The chemical formula is: K3YF6.
The XRD pattern shows main peaks at: 16.6°(0.25), 19.1°(0.3), 27.2°(1.0), 38.8°(0.58), 48.1°(0.35), 56.1°(0.37), 70.3°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-109441 | 6.56 6.56 6.56
60 60 60
K 0.750 0.750 0.750
K 0.250 0.250 0.250
K 0.500 0.500 0.500
Y 0.000 0.000 0.000
F 0.767 0.233 0.233
F 0.233 0.233 0.767
F 0.233 0.767 0.767
F 0.233 0.767 0.233
F 0.767 0.233 0.767
F 0.767 0.767 0.233 |
Below is a description of a material. | The chemical formula is: TmSi2Tc2.
The XRD pattern shows main peaks at: 23.4°(0.32), 34.5°(0.29), 35.7°(1.0), 44.1°(0.35), 50.4°(0.15), 57.1°(0.15), 57.9°(0.17), 64.0°(0.18), 69.1°(0.1), 75.6°(0.28).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-156007 | 4.11 4.11 5.82
110 110 89
Tm 0.000 0.000 0.000
Si 0.621 0.621 0.241
Si 0.379 0.379 0.759
Tc 0.750 0.250 0.500
Tc 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: AlCo2Si.
The XRD pattern shows main peaks at: 18.1°(0.54), 34.3°(0.08), 36.7°(0.62), 40.5°(1.0), 41.5°(0.49), 44.7°(0.21), 45.6°(0.1), 51.1°(0.07), 55.8°(0.69), 56.6°(0.3), 73.1°(0.08), 75.0°(0.15), 84.7°(0.1), 86.5°(0.17), 87.7°(0.1).
Generate atomic structure description with lattice lengths,... | JVASP-79459 | 9.80 5.52 5.52
27 27 27
Al 0.000 0.000 0.000
Co 0.267 -0.000 0.000
Co 0.733 0.000 -0.000
Si 0.500 0.000 -0.000 |
Below is a description of a material. | The chemical formula is: MnSi2O5.
The XRD pattern shows main peaks at: 19.3°(0.16), 29.0°(1.0), 29.6°(0.19), 30.4°(0.95), 32.3°(0.24), 36.4°(0.6), 37.0°(0.36), 37.7°(0.19), 42.3°(0.2), 43.0°(0.15), 43.5°(0.19), 46.9°(0.19), 51.8°(0.23), 55.3°(0.38), 56.9°(0.18), 58.0°(0.33), 63.4°(0.31), 66.6°(0.23), 67.5°(0.16), 73.4°... | JVASP-153337 | 5.22 5.22 6.67
74 74 103
Mn 0.318 0.682 0.250
Mn 0.682 0.318 0.750
Si 0.000 0.000 0.000
Si -0.000 -0.000 0.500
Si 0.328 0.672 0.750
Si 0.672 0.328 0.250
O 0.065 0.935 0.250
O 0.935 0.065 0.750
O 0.742 0.655 0.100
O 0.345 0.258 0.400
O 0.258 0.345 0.900
O 0.655 0.742 0.600
O 0.132 0.709 0.595
O 0.291 0.868 0.905
O 0.868... |
Below is a description of a material. | The chemical formula is: Ti2FeTc.
The XRD pattern shows main peaks at: 25.5°(0.07), 29.5°(0.09), 42.2°(1.0), 61.2°(0.15), 77.1°(0.27).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-103318 | 4.28 4.28 4.28
60 60 60
Ti 0.250 0.250 0.250
Ti 0.750 0.750 0.750
Fe 0.500 0.500 0.500
Tc 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Ba2SrW.
The XRD pattern shows main peaks at: 18.4°(0.06), 30.2°(1.0), 43.2°(0.18), 53.6°(0.36), 62.8°(0.12), 71.3°(0.15), 87.1°(0.19).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-69226 | 5.92 5.92 5.92
60 60 60
Ba 0.250 0.250 0.250
Ba 0.750 0.750 0.750
Sr 0.000 0.000 0.000
W 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: NaPr2Pb.
The XRD pattern shows main peaks at: 19.6°(0.24), 32.2°(1.0), 37.9°(0.14), 46.2°(0.18), 50.6°(0.07), 57.4°(0.39), 61.2°(0.05), 67.4°(0.11), 70.9°(0.06), 76.6°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-157264 | 5.56 5.56 5.56
60 60 60
Na 0.250 0.250 0.250
Pr 0.000 0.000 0.000
Pr 0.500 0.500 0.500
Pb 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: Na2SO4.
The XRD pattern shows main peaks at: 19.0°(0.51), 23.2°(0.11), 28.0°(0.41), 29.0°(0.4), 32.3°(1.0), 33.8°(0.48), 38.6°(0.22), 48.9°(0.47), 54.5°(0.18), 55.3°(0.11), 59.5°(0.17), 65.6°(0.08), 71.1°(0.07), 74.4°(0.1).
Generate atomic structure description with lattice lengths, angles, coo... | JVASP-9682 | 5.70 5.70 6.82
102 102 117
Na 0.559 0.441 0.250
Na 0.191 0.809 0.250
Na 0.809 0.191 0.750
Na 0.441 0.559 0.750
S 0.875 0.125 0.250
S 0.125 0.875 0.750
O 0.250 0.179 0.886
O 0.293 0.863 0.614
O 0.821 0.750 0.614
O 0.137 0.707 0.886
O 0.750 0.821 0.114
O 0.707 0.137 0.386
O 0.863 0.293 0.114
O 0.179 0.250 0.386 |
Below is a description of a material. | The chemical formula is: CoSbS.
The XRD pattern shows main peaks at: 18.2°(0.34), 23.7°(0.12), 28.9°(0.27), 30.6°(0.46), 34.3°(1.0), 35.7°(0.62), 36.8°(0.08), 40.0°(0.1), 43.8°(0.11), 47.4°(0.59), 48.5°(0.13), 50.2°(0.3), 53.2°(0.31), 55.1°(0.07), 56.7°(0.16), 58.8°(0.09), 63.1°(0.22), 64.7°(0.07), 75.6°(0.1), 83.9°(0.... | JVASP-15488 | 3.64 4.89 5.86
90 90 90
Co 0.000 0.282 0.999
Co 0.500 0.718 0.499
Sb 0.000 0.036 0.371
Sb 0.500 0.964 0.871
S 0.500 0.542 0.137
S 0.000 0.458 0.637 |
Below is a description of a material. | The chemical formula is: LiMoS2.
The XRD pattern shows main peaks at: 14.2°(1.0), 14.9°(0.07), 30.8°(0.07), 33.4°(0.21), 33.9°(0.21), 34.1°(0.21), 42.0°(0.17), 42.5°(0.23), 43.5°(0.08), 48.2°(0.06), 54.2°(0.12), 55.1°(0.06), 59.2°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates an... | JVASP-154232 | 6.67 6.79 6.24
89 90 118
Li 0.990 0.740 0.979
Li 0.010 0.260 0.021
Li 0.520 0.293 0.009
Li 0.480 0.707 0.991
Mo 0.057 0.808 0.496
Mo 0.943 0.192 0.504
Mo 0.508 0.210 0.500
Mo 0.492 0.790 0.500
S 0.344 0.931 0.224
S 0.656 0.069 0.776
S 0.818 0.896 0.251
S 0.182 0.104 0.749
S 0.322 0.409 0.299
S 0.678 0.591 0.701
S 0.847... |
Below is a description of a material. | The chemical formula is: Li6Br3N.
The XRD pattern shows main peaks at: 17.4°(0.11), 20.2°(0.06), 28.4°(1.0), 28.9°(0.24), 33.5°(0.06), 40.2°(0.11), 41.0°(0.2), 50.3°(0.19), 58.9°(0.08), 66.9°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-99163 | 6.18 6.28 8.98
90 90 90
Li 0.399 0.430 0.696
Li 0.337 0.264 0.422
Li 0.837 0.236 0.922
Li 0.601 0.570 0.304
Li 0.663 0.736 0.578
Li 0.101 0.930 0.804
Li 0.899 0.070 0.196
Li 0.750 0.330 0.536
Li 0.250 0.670 0.464
Li 0.250 0.170 0.036
Li 0.750 0.830 0.964
Li 0.163 0.764 0.078
Br 0.007 0.481 0.257
Br 0.993 0.519 0.743
Br... |
Below is a description of a material. | The chemical formula is: NiSnRh2.
The XRD pattern shows main peaks at: 40.2°(1.0), 45.1°(0.32), 49.9°(0.13), 65.8°(0.11), 69.5°(0.18), 80.0°(0.25), 86.9°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-191559 | 3.66 4.02 4.02
90 90 90
Ni 0.000 0.000 0.000
Rh 0.500 0.500 0.000
Rh 0.500 0.000 0.500
Sn 0.000 0.500 0.500 |
Below is a description of a material. | The chemical formula is: CdCl2.
The XRD pattern shows main peaks at: 12.7°(1.0), 22.5°(0.73), 25.9°(0.36), 27.4°(0.33), 35.4°(0.42), 35.7°(0.33), 38.7°(0.07), 42.4°(0.52), 45.3°(0.07), 46.0°(0.12), 47.9°(0.07), 49.5°(0.08), 51.9°(0.1), 54.3°(0.08), 55.0°(0.11), 56.7°(0.08), 57.8°(0.1), 59.4°(0.16), 79.5°(0.07), 82.6°(0... | JVASP-134437 | 3.68 3.95 6.98
90 90 90
Cd 0.467 0.000 0.000
Cl -0.033 0.000 0.750
Cl -0.033 0.000 0.250 |
Below is a description of a material. | The chemical formula is: CePdRh2.
The XRD pattern shows main peaks at: 38.1°(1.0), 43.6°(0.34), 45.6°(0.13), 63.3°(0.1), 65.0°(0.18), 76.4°(0.25), 79.3°(0.11), 81.5°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-104966 | 4.15 4.15 3.97
90 90 90
Ce 0.000 0.000 0.000
Pd 0.500 0.500 0.000
Rh 0.000 0.500 0.500
Rh 0.500 0.000 0.500 |
Below is a description of a material. | The chemical formula is: CrBr2.
The XRD pattern shows main peaks at: 14.4°(0.36), 27.9°(0.95), 29.1°(0.23), 30.0°(0.2), 30.7°(0.19), 31.6°(1.0), 37.1°(0.12), 39.7°(0.3), 41.2°(0.38), 45.5°(0.43), 49.0°(0.11), 49.9°(0.17), 52.0°(0.25), 53.4°(0.14), 57.7°(0.09), 58.2°(0.22), 60.4°(0.1), 71.5°(0.12), 75.7°(0.1), 76.2°(0.1... | JVASP-32731 | 3.65 4.02 6.15
94 90 117
Cr 0.000 0.000 0.000
Br 0.648 0.296 0.245
Br 0.352 0.704 0.755 |
Below is a description of a material. | The chemical formula is: Yb3Ca.
The XRD pattern shows main peaks at: 18.2°(0.11), 21.0°(0.06), 29.9°(1.0), 42.8°(0.19), 53.1°(0.37), 62.1°(0.13), 70.4°(0.17), 86.0°(0.19).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-107647 | 5.98 5.98 5.98
60 60 60
Yb 0.250 0.250 0.250
Yb 0.750 0.750 0.750
Yb 0.500 0.500 0.500
Ca 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: ScTlF6.
The XRD pattern shows main peaks at: 17.8°(0.18), 20.4°(0.43), 22.9°(1.0), 31.0°(0.41), 34.1°(0.19), 36.0°(0.14), 38.8°(0.25), 40.1°(0.1), 41.5°(0.17), 46.8°(0.15), 50.5°(0.32), 53.0°(0.09), 54.8°(0.17), 59.2°(0.09), 61.1°(0.12).
Generate atomic structure description with lattice length... | JVASP-99936 | 5.83 5.83 5.83
53 53 53
Sc 0.500 0.500 0.500
Tl 0.000 0.000 0.000
F 0.590 0.888 0.261
F 0.261 0.590 0.888
F 0.888 0.261 0.590
F 0.739 0.410 0.112
F 0.112 0.739 0.410
F 0.410 0.112 0.739 |
Below is a description of a material. | The chemical formula is: TiSiTc2.
The XRD pattern shows main peaks at: 28.9°(0.3), 30.3°(0.13), 41.3°(0.58), 42.4°(1.0), 52.1°(0.12), 59.8°(0.19), 63.1°(0.07), 67.7°(0.06), 68.5°(0.05), 76.0°(0.36), 78.2°(0.16), 89.6°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-186972 | 3.09 3.09 5.89
90 90 90
Si 0.500 0.500 0.000
Tc 0.000 0.000 0.764
Tc -0.000 -0.000 0.236
Ti 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Zr5TePb3.
The XRD pattern shows main peaks at: 23.2°(0.12), 24.7°(0.28), 28.8°(0.17), 34.1°(0.62), 35.3°(1.0), 45.0°(0.35), 50.6°(0.19), 54.5°(0.16), 59.6°(0.1), 62.6°(0.13), 63.1°(0.15), 66.1°(0.06), 71.0°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates a... | JVASP-137327 | 8.86 8.86 6.21
90 90 120
Zr 0.667 0.333 0.000
Zr 0.000 0.723 0.250
Zr 0.277 0.277 0.250
Zr -0.000 0.277 0.750
Zr 0.277 -0.000 0.750
Zr 0.723 0.000 0.250
Zr 0.667 0.333 0.500
Zr 0.333 0.667 0.500
Zr 0.333 0.667 0.000
Zr 0.723 0.723 0.750
Te 0.000 0.000 0.000
Te 0.000 0.000 0.500
Pb 0.388 0.000 0.250
Pb 0.388 0.388 0.750... |
Below is a description of a material. | The chemical formula is: MgBeRu2.
The XRD pattern shows main peaks at: 25.8°(0.7), 42.8°(1.0), 50.7°(0.35), 62.2°(0.16), 68.5°(0.14), 78.5°(0.33), 84.3°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-67743 | 4.22 4.22 4.22
119 119 90
Mg 0.750 0.250 0.500
Be 0.500 0.500 0.000
Ru 0.000 0.000 0.000
Ru 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: PmPrIn2.
The XRD pattern shows main peaks at: 32.8°(1.0), 47.1°(0.18), 58.6°(0.35), 68.8°(0.11), 78.3°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-102121 | 5.46 5.46 5.46
60 60 60
Pm 0.500 0.500 0.500
Pr 0.000 0.000 0.000
In 0.250 0.250 0.250
In 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: LiCa2Ag.
The XRD pattern shows main peaks at: 10.1°(0.41), 20.3°(0.11), 24.5°(1.0), 34.2°(0.37), 35.3°(0.39), 35.7°(0.09), 40.1°(0.07), 49.1°(0.13), 55.6°(0.19), 61.9°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-81751 | 17.48 9.12 9.13
23 16 16
Li 0.000 0.000 0.000
Ca 0.669 1.000 0.000
Ca 0.331 0.000 1.000
Ag 0.500 -0.000 0.000 |
Below is a description of a material. | The chemical formula is: BaSe2.
The XRD pattern shows main peaks at: 18.1°(0.31), 23.8°(0.08), 28.5°(1.0), 30.9°(0.17), 31.8°(0.42), 34.0°(0.53), 37.4°(0.25), 40.2°(0.23), 41.3°(0.11), 41.9°(0.17), 47.1°(0.12), 48.8°(0.09), 50.9°(0.14), 56.1°(0.16), 58.9°(0.18), 59.5°(0.12), 60.8°(0.13), 63.7°(0.1), 66.0°(0.08), 66.7°(... | JVASP-123645 | 6.25 4.49 4.45
90 120 111
Ba -0.000 0.333 0.167
Se 0.748 0.707 0.458
Se 0.252 -0.041 0.876 |
Below is a description of a material. | The chemical formula is: ScSnRh2.
The XRD pattern shows main peaks at: 24.0°(0.13), 38.9°(1.0), 41.5°(0.42), 52.0°(0.11), 60.1°(0.14), 68.6°(0.19), 73.9°(0.3), 83.4°(0.1), 89.4°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-191590 | 4.35 4.67 4.67
55 62 62
Sc 0.750 0.750 0.750
Rh 0.000 0.000 -0.000
Rh 0.500 0.500 0.500
Sn 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: HfNbO.
The XRD pattern shows main peaks at: 29.9°(0.21), 34.7°(1.0), 46.6°(0.12), 53.1°(0.18), 62.4°(0.16), 65.1°(0.33), 86.3°(0.06), 88.7°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-184141 | 3.45 3.45 5.15
90 90 120
Hf -0.000 0.000 0.000
Nb 0.333 0.667 0.500
O 0.667 0.333 0.500 |
Below is a description of a material. | The chemical formula is: YbGa2Pd2.
The XRD pattern shows main peaks at: 23.0°(0.06), 33.0°(0.46), 34.8°(1.0), 43.6°(0.48), 45.8°(0.1), 47.7°(0.22), 55.8°(0.22), 60.6°(0.15), 63.4°(0.14), 66.6°(0.16), 70.1°(0.05), 73.4°(0.06), 74.4°(0.22), 86.3°(0.13), 89.4°(0.06).
Generate atomic structure description with lattice leng... | JVASP-162966 | 6.12 6.12 6.12
140 140 57
Ga 0.383 0.383 0.000
Ga 0.617 0.617 -0.000
Pd 0.750 0.250 0.500
Pd 0.250 0.750 0.500
Yb 0.000 0.000 -0.000 |
Below is a description of a material. | The chemical formula is: Y3Si3Ni.
The XRD pattern shows main peaks at: 10.1°(0.08), 26.3°(0.06), 27.3°(0.35), 30.6°(0.15), 32.9°(1.0), 33.4°(0.53), 37.6°(0.21), 42.8°(0.22), 43.5°(0.26), 44.3°(0.14), 46.1°(0.22), 52.1°(0.11), 54.1°(0.06), 58.1°(0.21), 62.7°(0.14), 65.2°(0.14), 73.4°(0.05).
Generate atomic structure des... | JVASP-106321 | 9.21 9.21 9.21
155 153 36
Y 0.819 0.319 0.500
Y 0.185 0.685 0.500
Y 0.998 0.998 0.000
Si 0.646 0.146 0.500
Si 0.361 0.861 0.500
Si 0.559 0.559 0.000
Ni 0.432 0.432 0.000 |
Below is a description of a material. | The chemical formula is: Na3P.
The XRD pattern shows main peaks at: 20.2°(0.13), 20.7°(0.1), 29.1°(0.17), 36.3°(1.0), 37.1°(0.82), 41.9°(0.1), 52.9°(0.28), 55.9°(0.06), 65.3°(0.14), 65.9°(0.26), 77.1°(0.09), 88.8°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-2148 | 4.95 4.95 8.81
90 90 120
Na 0.000 0.000 0.750
Na 0.000 0.000 0.250
Na 0.667 0.333 0.420
Na 0.333 0.667 0.920
Na 0.333 0.667 0.580
Na 0.667 0.333 0.080
P 0.667 0.333 0.750
P 0.333 0.667 0.250 |
Below is a description of a material. | The chemical formula is: Ti5Te4.
The XRD pattern shows main peaks at: 17.4°(0.05), 24.6°(0.47), 25.3°(0.17), 27.6°(0.41), 30.8°(1.0), 35.6°(0.87), 37.3°(0.14), 39.4°(0.44), 43.8°(0.64), 45.3°(0.11), 48.5°(0.25), 50.9°(0.19), 52.2°(0.23), 64.2°(0.21), 71.8°(0.2), 77.2°(0.1).
Generate atomic structure description with la... | JVASP-15817 | 3.75 7.46 7.46
86 75 75
Ti 0.000 0.000 0.000
Ti 0.314 0.064 0.307
Ti 0.621 0.693 0.064
Ti 0.379 0.307 0.936
Ti 0.686 0.936 0.693
Te 0.059 0.220 0.661
Te 0.721 0.339 0.220
Te 0.279 0.661 0.780
Te 0.941 0.780 0.339 |
Below is a description of a material. | The chemical formula is: FeCuTeO.
The XRD pattern shows main peaks at: 9.4°(0.26), 18.9°(0.13), 24.5°(1.0), 28.5°(0.17), 29.6°(0.21), 32.1°(0.16), 33.5°(0.11), 37.5°(0.28), 38.3°(0.07), 43.4°(0.74), 44.9°(0.35), 46.0°(0.45), 52.8°(0.25), 55.0°(0.1), 55.6°(0.08), 61.3°(0.05), 66.2°(0.21), 67.1°(0.13), 69.0°(0.06), 83.3°... | JVASP-159867 | 3.95 3.95 9.40
90 90 90
Fe 0.250 0.250 -0.028
Fe 0.750 0.750 0.028
Cu 0.750 0.250 0.500
Cu 0.250 0.750 0.500
Te 0.750 0.750 0.318
Te 0.250 0.250 0.682
O 0.750 0.250 0.000
O 0.250 0.750 0.000 |
Below is a description of a material. | The chemical formula is: Ho2CdS4.
The XRD pattern shows main peaks at: 13.7°(0.23), 22.4°(0.18), 26.4°(1.0), 27.6°(0.18), 31.9°(0.32), 41.9°(0.41), 45.8°(0.64), 53.6°(0.13), 63.8°(0.13), 66.7°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-10011 | 7.93 7.93 7.93
60 60 59
Ho 0.500 0.500 0.000
Ho 0.500 0.500 0.500
Ho -0.000 0.500 0.500
Ho 0.500 0.000 0.500
Cd 0.125 0.125 0.125
Cd 0.875 0.875 0.875
S 0.743 0.743 0.743
S 0.257 0.257 0.728
S 0.257 0.728 0.257
S 0.728 0.257 0.257
S 0.743 0.272 0.743
S 0.272 0.743 0.743
S 0.257 0.257 0.257
S 0.743 0.743 0.272 |
Below is a description of a material. | The chemical formula is: RbScMo2O8.
The XRD pattern shows main peaks at: 21.3°(1.0), 29.9°(0.41), 30.7°(0.53), 37.6°(0.06), 40.6°(0.12), 43.3°(0.21), 49.3°(0.19), 54.0°(0.15), 54.6°(0.09), 59.0°(0.17), 63.9°(0.11), 76.4°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom typ... | JVASP-141348 | 5.83 5.83 7.43
90 90 120
Rb 0.000 0.000 0.000
Sc 0.000 0.000 0.500
Mo 0.333 0.667 0.253
Mo 0.667 0.333 0.747
O 0.165 0.835 0.330
O 0.835 0.165 0.670
O 0.165 0.331 0.330
O 0.835 0.669 0.670
O 0.669 0.835 0.330
O 0.331 0.165 0.670
O 0.333 0.667 0.020
O 0.667 0.333 0.980 |
Below is a description of a material. | The chemical formula is: PrAsO4.
The XRD pattern shows main peaks at: 18.1°(0.12), 24.2°(1.0), 32.2°(0.81), 34.4°(0.25), 39.1°(0.07), 46.5°(0.06), 47.8°(0.6), 49.5°(0.17), 55.8°(0.17), 60.3°(0.18), 61.8°(0.14), 67.4°(0.12), 71.3°(0.16), 77.8°(0.09), 81.6°(0.13), 82.9°(0.16).
Generate atomic structure description with l... | JVASP-46043 | 6.16 6.16 6.16
106 106 115
Pr 0.750 0.250 0.500
Pr 0.000 0.000 0.000
As 0.500 0.500 0.000
As 0.250 0.750 0.500
O 0.510 0.332 0.179
O 0.668 0.847 0.179
O 0.082 0.403 0.321
O 0.668 0.490 0.821
O 0.153 0.332 0.821
O 0.240 0.918 0.321
O 0.597 0.918 0.679
O 0.082 0.760 0.679 |
Below is a description of a material. | The chemical formula is: PrCuO3.
The XRD pattern shows main peaks at: 23.2°(0.09), 33.0°(1.0), 40.7°(0.14), 47.3°(0.28), 58.9°(0.38), 69.2°(0.18), 78.8°(0.16), 88.1°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-110021 | 3.84 3.84 3.84
90 90 90
Pr 0.000 0.000 0.000
Cu 0.500 0.500 0.500
O 0.500 0.500 0.000
O 0.500 0.000 0.500
O 0.000 0.500 0.500 |
Below is a description of a material. | The chemical formula is: PrIn6Cu6.
The XRD pattern shows main peaks at: 30.5°(0.13), 32.6°(0.32), 33.1°(0.61), 38.0°(0.55), 38.6°(1.0), 39.0°(0.31), 41.2°(0.09), 42.9°(0.5), 43.5°(0.27), 58.4°(0.12), 62.1°(0.16), 68.2°(0.12), 69.4°(0.2), 70.3°(0.24).
Generate atomic structure description with lattice lengths, angles, c... | JVASP-166391 | 5.50 7.12 7.12
98 112 67
Pr 0.000 0.000 0.000
In 0.661 0.339 0.661
In 0.339 0.661 0.339
In 0.000 0.344 0.344
In -0.000 0.656 0.656
In 0.500 0.815 0.815
In 0.500 0.185 0.185
Cu 0.500 0.000 0.500
Cu 0.000 0.000 0.500
Cu 0.500 0.500 0.000
Cu 0.000 0.500 0.000
Cu 0.736 0.764 0.236
Cu 0.264 0.236 0.764 |
Below is a description of a material. | The chemical formula is: AlV2Ru3.
The XRD pattern shows main peaks at: 29.8°(0.21), 42.6°(1.0), 52.8°(0.07), 61.9°(0.11), 70.2°(0.06), 78.1°(0.22).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-190846 | 3.00 3.00 9.03
90 90 90
Al 0.500 0.500 0.500
V 0.500 0.500 0.831
V 0.500 0.500 0.169
Ru -0.000 -0.000 0.000
Ru 0.000 -0.000 0.671
Ru -0.000 0.000 0.329 |
Below is a description of a material. | The chemical formula is: K2NaGaAs2.
The XRD pattern shows main peaks at: 11.9°(0.87), 14.5°(0.71), 22.4°(0.36), 26.6°(0.17), 27.0°(0.24), 29.2°(0.18), 29.6°(0.16), 30.6°(1.0), 36.1°(0.59), 36.4°(0.63), 38.3°(0.89), 45.7°(0.15), 50.0°(0.24), 51.1°(0.11), 52.9°(0.28), 54.8°(0.09), 55.7°(0.16), 62.4°(0.06).
Generate atomi... | JVASP-10544 | 6.60 6.70 8.81
112 112 89
K 0.327 0.586 0.654
K 0.827 0.067 0.654
K 0.173 0.933 0.346
K 0.673 0.414 0.346
Na 0.750 0.000 -0.000
Na 0.250 -0.000 0.000
Ga 0.250 0.500 -0.000
Ga 0.750 0.500 0.000
As 0.597 0.802 0.194
As 0.403 0.198 0.806
As 0.903 0.608 0.806
As 0.097 0.392 0.194 |
Below is a description of a material. | The chemical formula is: CeFeGe3.
The XRD pattern shows main peaks at: 29.4°(0.11), 34.2°(0.3), 34.6°(1.0), 36.2°(0.18), 42.0°(0.55), 47.2°(0.13), 50.6°(0.09), 55.2°(0.06), 56.6°(0.22), 60.9°(0.18), 64.0°(0.15), 72.0°(0.22), 72.9°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-17806 | 4.30 4.30 5.83
111 111 90
Ce 0.326 0.326 0.652
Fe 0.000 0.000 0.001
Ge 0.589 0.089 0.178
Ge 0.774 0.774 0.547
Ge 0.089 0.589 0.178 |
Below is a description of a material. | The chemical formula is: MgRh3.
The XRD pattern shows main peaks at: 20.2°(0.12), 21.3°(0.25), 33.9°(0.06), 36.1°(0.05), 37.5°(0.32), 41.2°(0.36), 43.0°(1.0), 43.3°(0.55), 56.9°(0.19), 67.5°(0.09), 68.2°(0.17), 76.3°(0.18), 82.2°(0.1), 82.9°(0.18), 83.7°(0.16), 84.6°(0.05).
Generate atomic structure description with la... | JVASP-79983 | 2.78 5.18 4.75
62 90 74
Mg 0.750 0.500 0.085
Rh 0.996 0.008 0.001
Rh 0.504 0.992 0.509
Rh 0.250 0.500 0.572 |
Below is a description of a material. | The chemical formula is: CeMg6C.
The XRD pattern shows main peaks at: 13.0°(0.68), 14.5°(0.99), 17.9°(0.5), 19.7°(0.28), 21.0°(0.46), 23.7°(0.39), 24.6°(0.85), 26.8°(0.47), 29.0°(0.63), 32.1°(0.42), 33.0°(1.0), 34.4°(0.56), 35.6°(0.92), 36.3°(0.44), 39.7°(0.24), 40.1°(0.52), 42.8°(0.35), 52.2°(0.19), 55.2°(0.26), 60.1°... | JVASP-93140 | 6.89 6.18 4.50
90 90 99
Ce 0.126 0.340 0.250
Mg 0.609 0.350 0.250
Mg 0.547 0.866 0.250
Mg 0.269 0.020 0.750
Mg 0.424 0.572 0.750
Mg 0.809 0.108 0.750
Mg 0.883 0.637 0.750
C 0.333 0.107 0.250 |
Below is a description of a material. | The chemical formula is: CeTe.
The XRD pattern shows main peaks at: 28.2°(1.0), 40.3°(0.75), 49.9°(0.26), 58.3°(0.12), 66.0°(0.33), 73.3°(0.26).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-19738 | 4.47 4.47 4.47
60 60 60
Ce 0.000 0.000 0.000
Te 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: As2Se.
The XRD pattern shows main peaks at: 16.7°(0.7), 16.9°(0.69), 23.8°(0.36), 31.5°(0.88), 34.2°(0.65), 35.9°(0.31), 37.9°(1.0), 39.8°(0.17), 47.2°(0.47), 48.8°(0.14), 50.1°(0.98), 59.2°(0.16), 62.4°(0.11), 63.7°(0.16), 65.7°(0.1), 72.8°(0.22), 76.2°(0.12), 78.4°(0.26), 79.6°(0.13), 89.6°(0... | JVASP-137192 | 5.24 2.84 5.32
90 90 90
As -0.011 0.000 0.758
As -0.011 0.000 0.242
Se 0.421 0.000 0.000 |
Below is a description of a material. | The chemical formula is: V2FeO6.
The XRD pattern shows main peaks at: 13.7°(0.24), 18.7°(0.37), 19.8°(0.39), 23.9°(0.25), 25.9°(0.15), 28.5°(1.0), 30.4°(0.54), 33.2°(0.44), 35.7°(0.22), 39.2°(0.09), 45.5°(0.22), 46.5°(0.08), 51.8°(0.17), 53.1°(0.12), 55.3°(0.2), 62.3°(0.06), 63.9°(0.07), 66.2°(0.11), 67.1°(0.1), 72.4°(... | JVASP-44616 | 6.71 6.71 5.77
74 105 96
V 0.203 0.609 0.761
V 0.391 0.797 0.261
V 0.609 0.203 0.739
V 0.797 0.391 0.239
Fe 0.084 0.084 0.750
Fe 0.916 0.916 0.250
O 0.807 0.032 0.859
O 0.623 0.344 0.436
O 0.628 0.915 0.270
O 0.656 0.377 0.936
O 0.344 0.623 0.064
O 0.193 0.968 0.141
O 0.377 0.656 0.564
O 0.915 0.628 0.230
O 0.085 0.372... |
Below is a description of a material. | The chemical formula is: TiH2.
The XRD pattern shows main peaks at: 35.1°(1.0), 40.4°(0.3), 41.4°(0.14), 58.4°(0.1), 59.2°(0.21), 70.0°(0.22), 71.4°(0.11), 74.1°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-18414 | 3.12 3.12 3.12
91 119 119
Ti 0.000 0.000 0.000
H 0.500 0.250 0.750
H 0.500 0.750 0.250 |
Below is a description of a material. | The chemical formula is: MnN.
The XRD pattern shows main peaks at: 36.5°(1.0), 42.5°(0.27), 61.6°(0.43), 73.8°(0.35), 77.7°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-78284 | 3.01 3.01 3.01
60 60 60
Mn 0.000 0.000 0.000
N 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: RbRhF3.
The XRD pattern shows main peaks at: 20.9°(0.08), 29.7°(1.0), 42.6°(0.42), 52.8°(0.45), 61.8°(0.26), 70.1°(0.18), 77.9°(0.08), 85.6°(0.22).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-138926 | 4.25 4.25 4.25
90 90 90
Rb 0.000 0.000 0.000
Rh 0.500 0.500 0.500
F 0.500 0.500 0.000
F 0.500 0.000 0.500
F 0.000 0.500 0.500 |
Below is a description of a material. | The chemical formula is: TcSb5.
The XRD pattern shows main peaks at: 31.1°(1.0), 34.7°(0.07), 39.2°(0.41), 49.4°(0.28), 59.5°(0.15), 64.8°(0.1), 80.9°(0.13), 85.6°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-124704 | 3.69 3.69 13.20
90 90 120
Tc 0.000 0.000 0.250
Sb 0.667 0.333 0.120
Sb 0.667 0.333 0.582
Sb 0.333 0.667 0.380
Sb 0.333 0.667 0.918
Sb 0.000 0.000 0.750 |
Below is a description of a material. | The chemical formula is: Ba2SmMoO6.
The XRD pattern shows main peaks at: 29.6°(1.0), 42.4°(0.26), 52.5°(0.39), 61.4°(0.17), 69.7°(0.17), 77.5°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-165012 | 6.04 6.04 6.04
120 120 90
Ba 0.250 0.750 0.500
Ba 0.750 0.250 0.500
Sm 0.500 0.500 -0.000
Mo 0.000 -0.000 -0.000
O 0.769 0.769 0.000
O 0.231 0.769 0.000
O 0.769 0.231 0.000
O 0.231 0.231 0.000
O 0.231 0.231 0.462
O 0.769 0.769 0.538 |
Below is a description of a material. | The chemical formula is: PCl3.
The XRD pattern shows main peaks at: 17.4°(0.41), 18.0°(0.36), 19.2°(0.16), 23.8°(0.86), 24.1°(0.8), 26.8°(0.38), 30.0°(0.68), 32.3°(0.46), 32.7°(1.0), 33.2°(0.42), 33.7°(0.14), 38.8°(0.31), 39.5°(0.24), 44.6°(0.12), 47.5°(0.16), 54.1°(0.44), 55.3°(0.2), 55.9°(0.45), 57.4°(0.13), 60.0°(0.... | JVASP-115910 | 5.95 5.74 4.06
109 110 104
P 0.645 0.880 -0.029
Cl 0.331 0.915 0.585
Cl 0.667 0.556 0.577
Cl -0.039 0.200 0.065 |
Below is a description of a material. | The chemical formula is: LiCu2Pd.
The XRD pattern shows main peaks at: 12.1°(0.22), 13.4°(1.0), 14.2°(0.15), 15.9°(0.34), 21.3°(0.13), 21.8°(0.15), 26.3°(0.21), 27.0°(0.18), 32.1°(0.06), 33.9°(0.11), 39.5°(0.14), 40.5°(0.06), 41.1°(0.06), 41.9°(0.06), 43.3°(0.05).
Generate atomic structure description with lattice leng... | JVASP-82023 | 9.73 8.46 8.46
57 54 54
Li 0.000 0.000 0.000
Cu 0.744 0.000 0.000
Cu 0.256 -0.000 -0.000
Pd 0.500 -0.000 -0.000 |
Below is a description of a material. | The chemical formula is: YBiO3.
The XRD pattern shows main peaks at: 18.0°(0.21), 20.8°(0.15), 29.4°(1.0), 29.7°(0.99), 34.8°(0.23), 42.3°(0.4), 47.3°(0.23), 52.0°(0.13), 52.5°(0.54), 61.6°(0.14), 64.9°(0.09), 69.3°(0.1), 69.7°(0.17), 80.6°(0.09), 85.2°(0.2).
Generate atomic structure description with lattice lengths, ... | JVASP-50932 | 6.08 6.08 6.08
59 59 59
Y 0.141 0.141 0.141
Y 0.859 0.859 0.859
Bi 0.360 0.360 0.360
Bi 0.640 0.640 0.640
O 0.009 0.781 0.456
O 0.544 0.991 0.219
O 0.219 0.544 0.991
O 0.781 0.456 0.009
O 0.456 0.009 0.781
O 0.991 0.219 0.544 |
Below is a description of a material. | The chemical formula is: MgCo3.
The XRD pattern shows main peaks at: 19.7°(0.13), 29.2°(0.07), 40.1°(0.26), 43.4°(0.25), 45.8°(1.0), 58.6°(0.05), 60.6°(0.14), 72.8°(0.15), 81.5°(0.15), 88.8°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-107195 | 5.20 5.20 4.17
90 90 120
Mg 0.667 0.333 0.250
Mg 0.333 0.667 0.750
Co 0.159 0.317 0.250
Co 0.683 0.841 0.250
Co 0.159 0.841 0.250
Co 0.841 0.159 0.750
Co 0.317 0.159 0.750
Co 0.841 0.683 0.750 |
Below is a description of a material. | The chemical formula is: Li4CoTeO6.
The XRD pattern shows main peaks at: 18.4°(1.0), 19.8°(0.3), 20.7°(0.5), 23.1°(0.36), 27.2°(0.25), 31.9°(0.13), 35.2°(0.33), 36.7°(0.23), 37.3°(0.06), 42.5°(0.29), 43.0°(0.53), 47.0°(0.13), 56.5°(0.05), 57.2°(0.09), 61.7°(0.15), 62.5°(0.16), 78.2°(0.09).
Generate atomic structure des... | JVASP-112668 | 5.19 5.19 5.14
79 79 119
Li 0.825 0.175 0.500
Li 0.174 0.826 0.500
Li 0.502 0.498 0.500
Li 0.666 0.334 -0.000
Co 0.335 0.665 -0.000
Te -0.000 0.000 -0.000
O 0.084 0.393 0.763
O 0.386 0.071 0.763
O 0.929 0.614 0.237
O 0.607 0.916 0.237
O 0.231 0.238 0.227
O 0.762 0.769 0.773 |
Below is a description of a material. | The chemical formula is: LiVBO3.
The XRD pattern shows main peaks at: 19.6°(0.11), 21.5°(0.55), 22.5°(1.0), 28.9°(0.12), 32.6°(0.8), 34.3°(0.11), 37.6°(0.18), 39.8°(0.6), 40.2°(0.41), 42.4°(0.13), 43.2°(0.2), 44.2°(0.1), 45.9°(0.14), 48.0°(0.23), 52.1°(0.09), 53.6°(0.09), 54.7°(0.14), 56.4°(0.14), 59.9°(0.2), 60.8°(0.1... | JVASP-44057 | 4.50 5.18 6.04
96 108 114
Li 0.443 0.378 0.664
Li 0.557 0.622 0.336
V 0.202 0.760 0.750
V 0.798 0.240 0.250
B 0.793 0.102 0.746
B 0.207 0.898 0.254
O 0.976 0.292 0.638
O 0.627 0.195 0.873
O 0.719 0.806 0.708
O 0.281 0.194 0.292
O 0.373 0.805 0.127
O 0.024 0.708 0.362 |
Below is a description of a material. | The chemical formula is: Sr4Fe4O11.
The XRD pattern shows main peaks at: 33.1°(1.0), 40.7°(0.13), 47.1°(0.33), 48.0°(0.16), 58.8°(0.25), 59.4°(0.14), 69.5°(0.18), 78.4°(0.1), 79.9°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-116783 | 6.66 6.66 5.45
90 90 110
Sr 0.258 0.742 0.000
Sr 0.742 0.258 0.000
Sr 0.000 0.000 0.500
Sr 0.500 0.500 0.500
Fe 0.000 0.500 0.500
Fe 0.500 0.000 0.500
Fe 0.746 0.746 0.000
Fe 0.254 0.254 0.000
O 0.500 0.500 0.000
O 0.350 0.108 0.241
O 0.650 0.892 0.241
O 0.108 0.350 0.759
O 0.892 0.650 0.241
O 0.650 0.892 0.759
O 0.350... |
Below is a description of a material. | The chemical formula is: BaMo6S8.
The XRD pattern shows main peaks at: 13.2°(1.0), 18.5°(0.56), 19.0°(0.42), 22.4°(0.14), 23.2°(0.15), 30.2°(0.52), 32.9°(0.38), 39.5°(0.41), 40.9°(0.43), 42.4°(0.41), 43.1°(0.2), 45.1°(0.78), 45.8°(0.13), 49.7°(0.17), 51.0°(0.16), 51.6°(0.14), 58.6°(0.22), 61.3°(0.14), 69.8°(0.19), 76.9... | JVASP-86430 | 6.69 6.69 6.69
88 88 88
Ba 0.000 0.000 0.000
Mo 0.434 0.764 0.583
Mo 0.764 0.583 0.434
Mo 0.583 0.434 0.764
Mo 0.566 0.236 0.417
Mo 0.236 0.417 0.566
Mo 0.417 0.566 0.236
S 0.748 0.748 0.748
S 0.252 0.252 0.252
S 0.608 0.877 0.264
S 0.877 0.264 0.608
S 0.264 0.608 0.877
S 0.392 0.123 0.736
S 0.123 0.736 0.392
S 0.736 0... |
Below is a description of a material. | The chemical formula is: HfS2.
The XRD pattern shows main peaks at: 13.5°(1.0), 24.8°(0.52), 25.4°(0.09), 27.2°(0.07), 28.4°(0.36), 28.9°(0.37), 35.8°(0.08), 37.6°(0.34), 38.4°(0.36), 41.4°(0.08), 45.6°(0.37), 48.9°(0.1), 50.9°(0.07), 52.1°(0.07), 55.8°(0.09), 58.6°(0.08), 59.6°(0.11), 60.4°(0.09), 62.4°(0.07), 65.0°(0... | JVASP-136799 | 3.51 3.59 6.55
90 90 90
Hf 0.467 0.000 0.000
S -0.033 0.000 0.737
S -0.033 0.000 0.263 |
Below is a description of a material. | The chemical formula is: ZnPbF.
The XRD pattern shows main peaks at: 12.3°(0.7), 24.7°(0.38), 28.2°(1.0), 30.8°(0.32), 37.5°(0.18), 37.8°(0.52), 40.3°(0.38), 42.3°(0.14), 47.5°(0.34), 47.8°(0.29), 56.2°(0.21), 58.3°(0.12), 59.0°(0.07), 64.3°(0.11), 65.9°(0.17), 67.4°(0.09), 71.6°(0.18), 72.1°(0.11), 78.4°(0.16), 79.1°(... | JVASP-138914 | 3.17 3.17 7.20
90 90 90
Zn 0.000 0.000 0.018
Pb 0.000 0.000 0.615
F 0.000 0.000 0.283 |
Below is a description of a material. | The chemical formula is: ScAlCo2.
The XRD pattern shows main peaks at: 30.0°(0.1), 42.9°(1.0), 62.3°(0.15), 78.7°(0.29).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-41920 | 4.21 4.21 4.21
60 60 60
Sc 0.750 0.750 0.750
Al 0.250 0.250 0.250
Co 0.500 0.500 0.500
Co 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: FePb2C6N6.
The XRD pattern shows main peaks at: 14.3°(0.2), 16.3°(0.3), 21.7°(1.0), 24.9°(0.81), 29.9°(0.45), 33.3°(0.51), 36.1°(0.36), 42.0°(0.39), 43.9°(0.23), 44.3°(0.22), 47.1°(0.15), 51.1°(0.13), 51.5°(0.33), 52.6°(0.16), 54.0°(0.06), 56.2°(0.17), 64.1°(0.13), 65.1°(0.15), 68.2°(0.11), 69.... | JVASP-13894 | 7.15 7.15 5.44
90 90 120
Fe 0.000 0.000 0.000
Pb 0.667 0.333 0.597
Pb 0.333 0.667 0.403
C 0.240 0.056 0.192
C 0.815 0.760 0.192
C 0.944 0.185 0.192
C 0.056 0.815 0.808
C 0.760 0.944 0.808
C 0.185 0.240 0.808
N 0.690 0.605 0.303
N 0.395 0.084 0.303
N 0.916 0.310 0.303
N 0.310 0.395 0.697
N 0.084 0.690 0.697
N 0.605 0.91... |
Below is a description of a material. | The chemical formula is: SmBrO.
The XRD pattern shows main peaks at: 11.1°(0.17), 25.1°(0.07), 31.9°(1.0), 39.4°(0.06), 45.9°(0.15), 51.4°(0.07), 56.9°(0.31), 66.7°(0.06), 71.3°(0.06), 76.0°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-4059 | 3.96 3.96 7.96
90 90 90
Sm 0.500 0.000 0.852
Sm 0.000 0.500 0.148
Br 0.000 0.500 0.653
Br 0.500 0.000 0.347
O 0.000 0.000 0.000
O 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: PrMoPO.
The XRD pattern shows main peaks at: 19.4°(0.16), 24.6°(0.39), 29.3°(0.29), 29.9°(1.0), 32.1°(0.05), 33.6°(0.69), 37.3°(0.12), 37.8°(0.48), 46.1°(0.43), 51.7°(0.53), 52.9°(0.1), 55.5°(0.23), 55.9°(0.35), 60.7°(0.06), 67.2°(0.15), 70.2°(0.08), 74.9°(0.12), 77.3°(0.12), 79.8°(0.09), 89.6°... | JVASP-159734 | 3.94 3.94 9.15
90 90 90
Pr 0.250 0.250 0.138
Pr 0.750 0.750 0.862
Mo 0.750 0.250 0.500
Mo 0.250 0.750 0.500
P 0.750 0.750 0.328
P 0.250 0.250 0.672
O 0.750 0.250 0.000
O 0.250 0.750 0.000 |
Below is a description of a material. | The chemical formula is: NbSe2Br2.
The XRD pattern shows main peaks at: 13.4°(0.57), 16.1°(0.28), 17.2°(0.22), 26.9°(0.17), 27.5°(0.1), 30.3°(0.11), 30.9°(0.09), 32.5°(1.0), 34.9°(0.4), 38.6°(0.27), 41.2°(0.27), 42.2°(0.21), 44.1°(0.09), 47.0°(0.25), 54.5°(0.08), 56.9°(0.15), 57.9°(0.09), 59.9°(0.08), 62.6°(0.09), 78.0... | JVASP-12026 | 6.70 6.78 7.14
79 68 60
Nb 0.126 0.747 -0.000
Nb 0.874 0.253 0.000
Se 0.854 0.000 0.333
Se 0.649 -0.000 0.135
Se 0.351 0.000 0.865
Se 0.146 -0.000 0.667
Br 0.571 0.417 0.767
Br 0.429 0.583 0.233
Br 0.988 0.583 0.767
Br 0.012 0.417 0.233 |
Below is a description of a material. | The chemical formula is: Te2Br.
The XRD pattern shows main peaks at: 15.7°(0.15), 20.1°(0.06), 24.9°(0.96), 29.2°(1.0), 36.9°(0.34), 38.6°(0.52), 40.6°(0.25), 44.7°(0.35), 48.2°(0.13), 50.4°(0.14), 51.1°(0.12), 53.2°(0.11), 57.3°(0.09), 59.7°(0.09), 60.2°(0.1), 63.1°(0.07), 64.0°(0.11), 66.1°(0.06), 67.9°(0.06), 72.8°(... | JVASP-134314 | 9.31 4.79 5.67
91 127 45
Te 0.674 0.144 0.372
Te 0.325 0.190 0.748
Br -0.000 0.167 0.060 |
Below is a description of a material. | The chemical formula is: MgTaRu2.
The XRD pattern shows main peaks at: 24.6°(0.3), 40.8°(1.0), 48.2°(0.16), 59.1°(0.16), 65.0°(0.07), 74.3°(0.32), 79.6°(0.05), 88.4°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-41157 | 4.42 4.42 4.42
60 60 60
Mg 0.250 0.250 0.250
Ta 0.750 0.750 0.750
Ru 0.000 0.000 0.000
Ru 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: CdC3.
The XRD pattern shows main peaks at: 13.4°(1.0), 27.0°(0.41), 32.1°(0.47), 34.9°(0.59), 41.0°(0.06), 42.4°(0.42), 53.0°(0.19), 57.3°(0.12), 59.1°(0.13), 64.4°(0.18), 65.7°(0.11), 68.9°(0.08), 72.8°(0.07), 73.8°(0.08), 83.9°(0.08).
Generate atomic structure description with lattice lengths... | JVASP-124847 | 3.22 3.22 6.61
90 90 119
Cd 0.000 0.000 0.000
C 0.000 0.000 0.500
C 0.667 0.333 0.000
C 0.333 0.667 0.500 |
Below is a description of a material. | The chemical formula is: Tb5Ni2Sb.
The XRD pattern shows main peaks at: 26.9°(0.32), 31.8°(0.37), 33.1°(1.0), 36.0°(0.37), 37.1°(0.7), 41.1°(0.05), 53.4°(0.1), 55.5°(0.16), 58.2°(0.22), 69.3°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-170316 | 7.67 7.67 8.53
116 116 90
Tb -0.000 0.000 0.000
Tb 0.500 0.500 0.000
Tb 0.293 0.793 0.274
Tb 0.707 0.207 0.726
Tb 0.981 0.481 0.274
Tb 0.481 0.293 0.274
Tb 0.207 0.019 0.726
Tb 0.019 0.519 0.726
Tb 0.519 0.707 0.726
Tb 0.793 0.981 0.274
Ni 0.633 0.133 0.000
Ni 0.367 0.867 -0.000
Ni 0.867 0.633 0.000
Ni 0.133 0.367 -0.0... |
Below is a description of a material. | The chemical formula is: AlFe2S2.
The XRD pattern shows main peaks at: 14.4°(1.0), 29.1°(0.13), 32.9°(0.34), 37.9°(0.41), 46.0°(0.3), 50.1°(0.25), 52.4°(0.13), 57.5°(0.29), 59.0°(0.06), 61.2°(0.09), 73.5°(0.07), 82.1°(0.06), 85.8°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates an... | JVASP-180540 | 6.66 6.66 6.66
148 148 45
Al 0.000 0.000 -0.000
Fe 0.750 0.250 0.500
Fe 0.250 0.750 0.500
S 0.653 0.653 0.000
S 0.347 0.347 0.000 |
Below is a description of a material. | The chemical formula is: PrInCu.
The XRD pattern shows main peaks at: 31.9°(1.0), 34.8°(0.83), 36.3°(0.56), 41.4°(0.22), 42.5°(0.17), 43.3°(0.28), 50.3°(0.12), 55.2°(0.24), 57.8°(0.29), 61.5°(0.12), 66.2°(0.25), 68.5°(0.1), 72.3°(0.12), 74.0°(0.08).
Generate atomic structure description with lattice lengths, angles, co... | JVASP-150476 | 7.55 7.55 4.18
90 90 120
Pr 0.587 0.000 0.500
Pr 0.000 0.587 0.500
Pr 0.413 0.413 0.500
In 0.247 0.000 0.000
In 0.000 0.247 0.000
In 0.753 0.753 0.000
Cu 0.333 0.667 0.000
Cu 0.667 0.333 0.000
Cu -0.000 -0.000 0.500 |
Below is a description of a material. | The chemical formula is: CoNiAs2.
The XRD pattern shows main peaks at: 28.5°(0.11), 33.7°(1.0), 46.2°(0.93), 50.5°(0.65), 62.1°(0.16), 62.6°(0.14), 70.9°(0.22), 75.2°(0.06), 84.1°(0.13), 84.5°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-100010 | 3.61 3.61 5.05
90 90 119
Co 0.000 0.000 0.500
Ni 0.000 0.000 0.000
As 0.667 0.333 0.259
As 0.333 0.667 0.741 |
Below is a description of a material. | The chemical formula is: RbCuC2.
The XRD pattern shows main peaks at: 26.9°(1.0), 28.3°(0.67), 36.3°(0.13), 40.4°(0.26), 46.6°(0.24), 49.2°(0.38), 55.4°(0.15), 58.4°(0.07), 59.8°(0.14), 65.5°(0.08), 66.2°(0.1), 70.8°(0.07), 74.6°(0.13), 77.9°(0.11), 79.8°(0.09).
Generate atomic structure description with lattice length... | JVASP-8102 | 4.47 4.47 4.95
90 90 90
Rb 0.500 0.500 0.500
Cu 0.000 0.000 0.000
C 0.000 0.000 0.626
C 0.000 0.000 0.374 |
Below is a description of a material. | The chemical formula is: Li2SiAu.
The XRD pattern shows main peaks at: 25.3°(1.0), 29.3°(0.39), 41.9°(0.59), 49.6°(0.5), 52.0°(0.1), 60.8°(0.1), 66.9°(0.21), 76.6°(0.19).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-109720 | 4.31 4.31 4.31
60 60 60
Li 0.250 0.250 0.250
Li 0.000 0.000 0.000
Si 0.500 0.500 0.500
Au 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: YbF3.
The XRD pattern shows main peaks at: 28.2°(1.0), 32.6°(0.56), 46.8°(0.95), 55.5°(0.53), 58.2°(0.15), 68.3°(0.13), 86.9°(0.28).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-109311 | 3.88 3.88 3.88
60 60 60
Yb 0.000 0.000 0.000
F 0.250 0.250 0.250
F 0.750 0.750 0.750
F 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: K2TaAgCl6.
The XRD pattern shows main peaks at: 14.9°(0.13), 17.3°(1.0), 24.5°(0.97), 35.0°(0.72), 39.3°(0.45), 43.2°(0.43), 50.3°(0.49), 62.7°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-102066 | 7.26 7.26 7.26
60 60 60
K 0.250 0.250 0.250
K 0.750 0.750 0.750
Ta 0.500 0.500 0.500
Ag 0.000 0.000 0.000
Cl 0.259 0.259 0.741
Cl 0.259 0.741 0.741
Cl 0.741 0.741 0.259
Cl 0.259 0.741 0.259
Cl 0.741 0.259 0.741
Cl 0.741 0.259 0.259 |
Below is a description of a material. | The chemical formula is: DyAl3.
The XRD pattern shows main peaks at: 20.9°(0.92), 29.7°(0.8), 36.5°(1.0), 42.4°(0.48), 47.7°(0.42), 52.6°(0.33), 61.6°(0.35), 65.8°(0.22), 69.8°(0.14), 73.8°(0.41), 77.7°(0.11), 81.5°(0.1), 85.3°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and a... | JVASP-125497 | 4.26 4.26 4.26
90 90 90
Dy 0.000 0.000 0.000
Al 0.000 0.500 0.500
Al 0.500 0.000 0.500
Al 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: NdRu2.
The XRD pattern shows main peaks at: 33.6°(0.39), 35.4°(0.85), 39.1°(1.0), 40.3°(0.81), 44.3°(0.12), 61.3°(0.33), 63.9°(0.22), 65.2°(0.33), 70.7°(0.27), 81.6°(0.17), 84.2°(0.09), 84.7°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-152250 | 5.33 5.33 9.12
90 90 119
Nd 0.333 0.667 0.067
Nd 0.667 0.333 0.567
Nd 0.667 0.333 0.933
Nd 0.333 0.667 0.433
Ru 0.000 0.000 0.000
Ru 0.000 0.000 0.500
Ru 0.831 0.662 0.250
Ru 0.338 0.169 0.250
Ru 0.831 0.169 0.250
Ru 0.169 0.338 0.750
Ru 0.662 0.831 0.750
Ru 0.169 0.831 0.750 |
Below is a description of a material. | The chemical formula is: RbTlBr3.
The XRD pattern shows main peaks at: 15.4°(0.69), 21.8°(0.68), 26.8°(0.1), 31.0°(1.0), 34.8°(0.39), 44.4°(0.6), 55.2°(0.19), 64.6°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-36924 | 5.77 5.77 5.77
89 90 90
Rb -0.015 0.010 0.009
Tl 0.514 0.501 0.499
Br 0.523 0.499 -0.001
Br 0.016 0.498 0.496
Br 0.522 0.001 0.497 |
Below is a description of a material. | The chemical formula is: MgSnAu.
The XRD pattern shows main peaks at: 23.7°(0.97), 39.2°(1.0), 46.4°(0.47), 56.7°(0.17), 62.3°(0.07), 71.1°(0.37), 76.1°(0.1), 84.3°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-15598 | 4.59 4.59 4.59
60 60 60
Mg 0.000 0.000 0.000
Sn 0.500 0.500 0.500
Au 0.250 0.250 0.250 |
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