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: GaPd2.
The XRD pattern shows main peaks at: 35.5°(0.26), 37.9°(0.18), 39.0°(0.58), 39.5°(0.25), 40.8°(1.0), 44.4°(0.45), 47.5°(0.24), 54.4°(0.05), 57.2°(0.06), 59.7°(0.1), 60.9°(0.14), 67.0°(0.17), 68.0°(0.08), 73.7°(0.12), 75.7°(0.1), 78.0°(0.07), 79.2°(0.17), 83.8°(0.06), 84.8°(0.09).
Generat... | JVASP-85865 | 4.08 5.60 7.87
90 90 90
Ga 0.750 0.707 0.892
Ga 0.250 0.293 0.108
Ga 0.750 0.207 0.608
Ga 0.250 0.793 0.392
Pd 0.750 0.663 0.567
Pd 0.250 0.337 0.433
Pd 0.750 0.163 0.933
Pd 0.250 0.837 0.067
Pd 0.750 0.541 0.206
Pd 0.250 0.459 0.794
Pd 0.750 0.041 0.294
Pd 0.250 0.959 0.706 |
Below is a description of a material. | The chemical formula is: PrIO.
The XRD pattern shows main peaks at: 9.6°(0.17), 29.1°(1.0), 30.7°(0.48), 36.5°(0.15), 39.0°(0.06), 43.9°(0.21), 45.0°(0.08), 50.5°(0.16), 53.5°(0.36), 59.3°(0.06), 60.2°(0.08), 63.9°(0.07), 71.7°(0.08), 72.5°(0.08), 85.6°(0.08), 88.0°(0.09).
Generate atomic structure description with lat... | JVASP-4056 | 4.12 4.12 9.23
90 90 90
Pr 0.000 0.500 0.871
Pr 0.500 0.000 0.129
I 0.500 0.000 0.668
I 0.000 0.500 0.332
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: NaVF.
The XRD pattern shows main peaks at: 22.6°(0.44), 36.7°(0.46), 39.7°(1.0), 43.6°(0.15), 46.2°(0.06), 55.2°(0.73), 60.4°(0.05), 72.1°(0.14), 83.8°(0.19), 85.7°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-138892 | 4.54 4.54 2.45
90 90 120
Na 0.333 0.667 0.000
V 0.667 0.333 0.000
F 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: CaScO3.
The XRD pattern shows main peaks at: 21.9°(0.11), 31.2°(1.0), 38.4°(0.17), 44.7°(0.59), 55.5°(0.34), 65.0°(0.36), 73.8°(0.15), 82.3°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-134391 | 4.06 4.06 4.06
90 90 90
Ca 0.000 0.000 0.000
Sc 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: ThGaAu2.
The XRD pattern shows main peaks at: 21.8°(0.1), 35.9°(1.0), 42.4°(0.06), 51.7°(0.18), 64.5°(0.36), 76.1°(0.12), 87.1°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-42099 | 5.00 5.00 5.00
60 60 60
Th 0.750 0.750 0.750
Ga 0.250 0.250 0.250
Au 0.500 0.500 0.500
Au 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: ReNCl4.
The XRD pattern shows main peaks at: 15.3°(1.0), 21.7°(0.36), 24.7°(0.99), 30.8°(0.08), 33.1°(0.37), 34.6°(0.46), 39.9°(0.23), 44.1°(0.11), 45.2°(0.08), 45.8°(0.24), 48.0°(0.11), 49.7°(0.2), 50.7°(0.09), 51.2°(0.27), 58.2°(0.17), 61.0°(0.15), 65.5°(0.11), 69.4°(0.11), 75.8°(0.13), 84.0°... | JVASP-118076 | 6.14 6.14 6.14
96 96 141
Re 0.012 0.012 0.000
N 0.436 0.436 0.000
Cl 0.195 0.004 0.345
Cl 0.849 0.195 0.191
Cl 0.004 0.659 0.809
Cl 0.659 0.849 0.655 |
Below is a description of a material. | The chemical formula is: SiNi3Mo2.
The XRD pattern shows main peaks at: 11.6°(0.13), 37.5°(0.36), 38.1°(0.47), 41.8°(1.0), 43.8°(0.12), 44.7°(0.4), 45.2°(0.99), 45.5°(0.59), 46.1°(0.32), 47.8°(0.14), 50.2°(0.09), 70.6°(0.18), 71.2°(0.12), 71.6°(0.15), 73.0°(0.22), 74.1°(0.09), 78.0°(0.23), 78.5°(0.11), 80.0°(0.12), 81.... | JVASP-133418 | 4.73 4.73 7.61
90 90 119
Si 0.173 0.334 0.000
Si 0.666 0.827 0.000
Ni 0.184 0.816 0.000
Ni 0.830 0.663 0.500
Ni 0.337 0.170 0.500
Ni 0.829 0.171 0.500
Ni 0.994 0.006 0.241
Ni 0.994 0.006 0.759
Mo 0.334 0.666 0.681
Mo 0.663 0.337 0.810
Mo 0.663 0.337 0.190
Mo 0.334 0.666 0.319 |
Below is a description of a material. | The chemical formula is: BeHg2Mo.
The XRD pattern shows main peaks at: 19.9°(0.42), 24.7°(0.1), 32.2°(0.26), 38.1°(1.0), 40.4°(0.21), 46.1°(0.27), 50.7°(0.16), 52.6°(0.14), 63.0°(0.23), 67.3°(0.1), 71.0°(0.06), 72.0°(0.16), 80.1°(0.22), 81.5°(0.11).
Generate atomic structure description with lattice lengths, angles, co... | JVASP-72450 | 5.26 5.26 5.26
136 136 63
Be 0.750 0.250 0.500
Hg 0.000 0.000 0.000
Hg 0.500 0.500 0.000
Mo 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: CaFe2P2.
The XRD pattern shows main peaks at: 17.8°(0.63), 35.8°(0.49), 37.8°(1.0), 47.5°(0.54), 49.7°(0.34), 51.1°(0.14), 60.9°(0.21), 66.0°(0.28), 69.4°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-14399 | 3.83 3.83 5.67
109 109 90
Ca 0.000 0.000 0.000
Fe 0.750 0.250 0.500
Fe 0.250 0.750 0.500
P 0.641 0.641 0.282
P 0.359 0.359 0.718 |
Below is a description of a material. | The chemical formula is: Al3Zn.
The XRD pattern shows main peaks at: 22.0°(0.26), 31.3°(0.21), 38.5°(1.0), 44.8°(0.5), 50.4°(0.12), 55.6°(0.08), 65.2°(0.32), 69.7°(0.05), 78.4°(0.34), 82.6°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-79127 | 4.05 4.05 4.05
90 90 90
Al 0.000 0.500 0.500
Al 0.500 0.000 0.500
Al 0.500 0.500 0.000
Zn 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: F.
The XRD pattern shows main peaks at: 27.6°(0.08), 35.0°(1.0), 42.8°(0.22), 57.0°(0.07), 62.9°(0.07), 82.1°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-25204 | 3.05 3.05 6.47
90 89 113
F 0.901 0.401 0.599
F 0.401 0.901 0.901
F 0.099 0.599 0.401
F 0.599 0.099 0.099 |
Below is a description of a material. | The chemical formula is: FeO2.
The XRD pattern shows main peaks at: 19.9°(1.0), 37.5°(0.4), 39.3°(0.08), 46.0°(0.56), 50.6°(0.12), 61.6°(0.13), 66.4°(0.14), 67.8°(0.12), 70.0°(0.15), 84.5°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-18430 | 4.76 4.76 4.76
34 34 34
Fe 0.000 0.000 0.000
O 0.262 0.262 0.262
O 0.738 0.738 0.738 |
Below is a description of a material. | The chemical formula is: CeCo3Cu2.
The XRD pattern shows main peaks at: 22.2°(0.07), 30.5°(0.39), 36.3°(0.34), 42.1°(0.3), 42.9°(1.0), 45.3°(0.27), 48.1°(0.08), 59.3°(0.15), 63.6°(0.17), 65.3°(0.05), 69.8°(0.21), 77.0°(0.16), 82.0°(0.14), 83.0°(0.06).
Generate atomic structure description with lattice lengths, angles, ... | JVASP-109198 | 4.95 4.95 4.01
90 90 120
Ce 0.000 0.000 0.000
Co 0.500 0.500 0.500
Co 0.500 0.000 0.500
Co -0.000 0.500 0.500
Cu 0.667 0.333 0.000
Cu 0.333 0.667 0.000 |
Below is a description of a material. | The chemical formula is: Ce2VFeO6.
The XRD pattern shows main peaks at: 22.6°(0.21), 23.4°(0.19), 25.3°(0.26), 25.6°(0.25), 30.8°(0.21), 32.5°(0.75), 33.0°(1.0), 33.4°(0.38), 39.0°(0.11), 40.8°(0.07), 42.1°(0.1), 42.7°(0.1), 46.1°(0.19), 47.8°(0.36), 51.5°(0.24), 58.0°(0.09), 58.9°(0.24), 59.8°(0.19), 62.6°(0.08), 63.0... | JVASP-124146 | 5.81 5.36 9.22
55 90 90
Ce 0.583 0.725 0.751
Ce 0.083 0.275 0.749
Ce 0.417 0.275 0.249
Ce 0.917 0.725 0.251
V 0.000 0.000 0.500
V 0.500 0.000 0.000
Fe 0.000 0.500 0.000
Fe 0.500 0.500 0.500
O 0.703 0.231 0.442
O 0.203 0.769 0.058
O 0.685 0.634 0.055
O 0.185 0.366 0.445
O 0.297 0.769 0.558
O 0.464 0.131 0.752
O 0.536 0.... |
Below is a description of a material. | The chemical formula is: Na4FeO3.
The XRD pattern shows main peaks at: 17.8°(0.35), 19.2°(0.36), 23.1°(0.66), 23.6°(0.18), 26.6°(0.31), 29.0°(0.13), 34.2°(0.4), 35.4°(1.0), 36.6°(0.97), 37.1°(0.87), 46.7°(0.28), 47.5°(0.34), 48.3°(0.19), 55.0°(0.12), 56.0°(0.41), 59.1°(0.18), 62.0°(0.16), 62.4°(0.13), 63.5°(0.11), 67.0... | JVASP-11748 | 5.79 6.17 8.24
110 90 118
Na 0.277 0.221 0.951
Na 0.727 0.771 0.032
Na 0.944 0.221 0.451
Na 0.101 0.616 0.850
Na 0.515 0.616 0.350
Na 0.867 0.412 0.130
Na 0.044 0.771 0.532
Na 0.545 0.412 0.630
Fe 0.630 0.962 0.745
Fe 0.332 0.962 0.245
O 0.882 0.872 0.792
O 0.316 0.633 0.610
O 0.317 0.633 0.110
O 0.990 0.872 0.292
O 0.... |
Below is a description of a material. | The chemical formula is: KNdS2.
The XRD pattern shows main peaks at: 12.1°(0.61), 24.4°(0.14), 24.9°(0.23), 25.9°(0.31), 29.6°(1.0), 38.0°(0.16), 41.3°(0.34), 43.3°(0.35), 45.1°(0.1), 48.6°(0.08), 50.3°(0.06), 52.4°(0.07), 53.3°(0.18), 61.4°(0.11).
Generate atomic structure description with lattice lengths, angles, coo... | JVASP-36112 | 4.18 4.18 7.69
74 74 60
K 0.500 0.500 0.500
Nd 0.000 0.000 0.000
S 0.737 0.737 0.789
S 0.263 0.263 0.211 |
Below is a description of a material. | The chemical formula is: RbO3.
The XRD pattern shows main peaks at: 20.6°(0.3), 22.2°(0.49), 24.0°(0.16), 28.4°(0.89), 30.2°(0.57), 32.5°(1.0), 33.1°(0.42), 35.9°(0.19), 36.8°(0.38), 38.9°(0.25), 42.0°(0.13), 42.3°(0.18), 45.4°(0.38), 47.6°(0.11), 49.1°(0.13), 50.8°(0.11), 52.5°(0.17), 53.0°(0.21), 55.1°(0.15), 61.2°(0... | JVASP-9104 | 6.39 5.93 8.75
90 122 90
Rb 0.228 0.747 0.586
Rb 0.772 0.247 0.914
Rb 0.772 0.253 0.414
Rb 0.228 0.753 0.086
O 0.095 0.436 0.788
O 0.905 0.936 0.712
O 0.905 0.564 0.212
O 0.095 0.064 0.288
O 0.285 0.212 0.386
O 0.715 0.712 0.114
O 0.715 0.788 0.614
O 0.285 0.288 0.886
O 0.326 0.256 0.554
O 0.674 0.756 0.946
O 0.674 0.7... |
Below is a description of a material. | The chemical formula is: Be2FeBi.
The XRD pattern shows main peaks at: 14.3°(0.99), 28.9°(0.41), 32.4°(1.0), 41.3°(0.97), 43.9°(0.36), 51.2°(0.16), 53.4°(0.1), 59.9°(0.13), 61.9°(0.27), 67.8°(0.19), 69.8°(0.2), 75.3°(0.26), 77.1°(0.1), 84.3°(0.12).
Generate atomic structure description with lattice lengths, angles, coo... | JVASP-71484 | 3.09 3.09 6.19
90 90 90
Be 0.000 0.000 0.977
Be 0.500 0.500 0.161
Fe 0.500 0.500 0.837
Bi 0.000 0.000 0.524 |
Below is a description of a material. | The chemical formula is: Na2PdSe2.
The XRD pattern shows main peaks at: 15.7°(0.46), 18.4°(1.0), 22.9°(0.43), 29.0°(0.17), 29.8°(0.16), 34.8°(0.88), 35.7°(0.38), 37.2°(0.11), 38.3°(0.29), 40.9°(0.46), 41.4°(0.11), 42.5°(0.17), 46.8°(0.18), 47.8°(0.19), 48.7°(0.2), 49.8°(0.23), 52.4°(0.13), 57.2°(0.09), 66.1°(0.1), 69.8... | JVASP-151559 | 5.66 5.66 11.30
90 90 141
Na 0.437 0.563 0.871
Na 0.563 0.437 0.371
Na 0.825 0.175 0.595
Na 0.175 0.825 0.095
Pd 0.136 0.864 0.752
Pd 0.864 0.136 0.252
Se 0.723 0.277 0.875
Se 0.277 0.723 0.375
Se 0.548 0.452 0.630
Se 0.452 0.548 0.130 |
Below is a description of a material. | The chemical formula is: Ge3As4.
The XRD pattern shows main peaks at: 22.8°(0.07), 28.0°(1.0), 36.4°(0.19), 40.0°(0.18), 46.5°(0.61), 49.5°(0.07), 55.2°(0.34), 67.9°(0.08), 70.3°(0.08), 72.7°(0.07), 75.0°(0.13), 86.3°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-56261 | 5.52 5.52 5.52
90 90 90
Ge 0.000 0.000 0.000
Ge 0.000 0.500 0.500
Ge 0.500 0.000 0.500
As 0.282 0.718 0.218
As 0.718 0.282 0.218
As 0.282 0.282 0.782
As 0.718 0.718 0.782 |
Below is a description of a material. | The chemical formula is: BaLaGa.
The XRD pattern shows main peaks at: 19.8°(0.07), 27.3°(1.0), 34.7°(0.56), 37.6°(0.14), 44.7°(0.27), 52.1°(0.32), 57.8°(0.25), 61.7°(0.1), 62.2°(0.1), 72.8°(0.06), 73.2°(0.06), 75.0°(0.11), 85.3°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and ... | JVASP-179119 | 5.17 5.17 4.79
90 90 120
Ba 0.000 0.000 0.000
La 0.667 0.333 0.500
Ga 0.333 0.667 0.500 |
Below is a description of a material. | The chemical formula is: TiV2W.
The XRD pattern shows main peaks at: 25.0°(0.41), 28.9°(0.21), 41.3°(1.0), 48.9°(0.23), 51.2°(0.06), 59.9°(0.17), 65.9°(0.1), 67.8°(0.08), 75.4°(0.33), 80.8°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-157304 | 4.37 4.37 4.37
60 60 60
Ti 0.250 0.250 0.250
V 0.000 0.000 0.000
V 0.500 0.500 0.500
W 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: Ba2Tc2O5.
The XRD pattern shows main peaks at: 31.0°(1.0), 31.9°(0.39), 38.6°(0.06), 43.1°(0.15), 45.8°(0.26), 54.6°(0.18), 56.3°(0.34), 64.7°(0.17), 66.8°(0.07), 75.4°(0.07), 75.9°(0.07), 82.8°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom type... | JVASP-109022 | 3.96 3.96 8.40
90 90 90
Ba 0.000 0.000 0.000
Ba 0.000 0.000 0.500
Tc 0.500 0.500 0.242
Tc 0.500 0.500 0.758
O 0.500 0.000 0.237
O 0.500 0.000 0.763
O 0.000 0.500 0.237
O 0.000 0.500 0.763
O 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: MnB2W2.
The XRD pattern shows main peaks at: 28.0°(0.53), 31.0°(0.29), 34.8°(0.9), 35.8°(0.2), 42.3°(0.72), 44.4°(0.15), 45.2°(1.0), 50.0°(0.26), 58.0°(0.16), 66.9°(0.22), 69.4°(0.27), 74.0°(0.36), 76.1°(0.26), 80.0°(0.13).
Generate atomic structure description with lattice lengths, angles, coo... | JVASP-23330 | 5.77 5.77 3.18
90 90 90
Mn 0.500 0.500 0.000
Mn 0.000 0.000 0.000
B 0.115 0.615 0.000
B 0.885 0.385 0.000
B 0.615 0.885 0.000
B 0.385 0.115 0.000
W 0.822 0.678 0.500
W 0.178 0.322 0.500
W 0.678 0.178 0.500
W 0.322 0.822 0.500 |
Below is a description of a material. | The chemical formula is: Na3Cr.
The XRD pattern shows main peaks at: 18.8°(0.06), 20.2°(0.19), 31.8°(1.0), 36.2°(0.34), 38.2°(0.15), 52.1°(0.11), 53.6°(0.22), 62.3°(0.26), 65.0°(0.11), 66.4°(0.09), 87.8°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-37712 | 5.88 5.88 5.88
130 130 73
Na 0.500 0.500 0.000
Na 0.250 0.750 0.500
Na 0.750 0.250 0.500
Cr 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Ba2VTe.
The XRD pattern shows main peaks at: 18.4°(0.06), 30.2°(1.0), 43.3°(0.19), 53.7°(0.4), 62.9°(0.12), 71.3°(0.16), 87.2°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-65694 | 5.91 5.91 5.91
60 60 60
Ba 0.250 0.250 0.250
Ba 0.750 0.750 0.750
V 0.500 0.500 0.500
Te 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: ZnGeSe.
The XRD pattern shows main peaks at: 33.2°(0.4), 35.0°(1.0), 49.0°(0.78), 62.7°(0.18), 72.8°(0.23), 73.9°(0.1), 80.4°(0.18), 83.4°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-139038 | 5.13 5.13 2.70
90 90 120
Zn 0.667 0.333 0.000
Ge 0.000 0.000 0.000
Se 0.333 0.667 0.000 |
Below is a description of a material. | The chemical formula is: BiO.
The XRD pattern shows main peaks at: 25.3°(1.0), 27.6°(0.35), 28.2°(0.51), 29.1°(0.81), 30.4°(0.38), 37.2°(0.16), 38.1°(0.41), 39.3°(0.28), 39.8°(0.45), 40.2°(0.28), 46.2°(0.12), 46.6°(0.14), 52.0°(0.19), 52.8°(0.14), 53.4°(0.16), 54.0°(0.26), 57.0°(0.24), 59.4°(0.11), 61.9°(0.13), 65.6°(0... | JVASP-120895 | 3.58 4.98 5.02
103 65 106
Bi -0.008 0.056 0.074
Bi 0.242 0.512 0.526
O 0.934 0.637 0.219
O 0.515 0.213 0.648 |
Below is a description of a material. | The chemical formula is: AgRh3.
The XRD pattern shows main peaks at: 40.0°(1.0), 46.5°(0.48), 67.9°(0.3), 81.8°(0.36), 86.3°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-126539 | 3.91 3.91 3.91
90 90 90
Ag 0.000 0.500 0.000
Rh 0.000 0.000 0.500
Rh 0.500 0.500 0.500
Rh 0.500 0.000 0.000 |
Below is a description of a material. | The chemical formula is: CoAu2O2.
The XRD pattern shows main peaks at: 9.5°(1.0), 28.8°(0.42), 37.3°(0.41), 38.7°(0.17), 39.0°(0.29), 40.2°(0.73), 43.4°(0.41), 49.5°(0.25), 59.8°(0.27), 66.2°(0.19), 73.7°(0.19), 79.3°(0.13), 80.4°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates an... | JVASP-179719 | 9.45 9.45 9.45
17 17 17
Co -0.000 -0.000 -0.000
Au 0.788 0.788 0.788
Au 0.212 0.212 0.212
O 0.368 0.368 0.368
O 0.632 0.632 0.632 |
Below is a description of a material. | The chemical formula is: Ga2AsRh5.
The XRD pattern shows main peaks at: 32.5°(0.17), 37.0°(0.1), 38.1°(0.14), 38.6°(0.18), 39.5°(0.14), 40.5°(0.93), 41.6°(1.0), 42.0°(0.35), 43.4°(0.27), 44.8°(0.5), 48.4°(0.08), 55.7°(0.09), 60.6°(0.09), 63.1°(0.2), 72.8°(0.12), 74.1°(0.07), 75.0°(0.09), 79.6°(0.12), 80.3°(0.14), 87.7°... | JVASP-89024 | 4.05 5.52 10.29
90 90 90
Ga 0.500 0.388 0.350
Ga 0.500 0.612 0.650
Ga 0.500 0.112 0.850
Ga 0.500 0.888 0.150
As 0.000 0.000 0.500
As 0.000 0.500 0.000
Rh 0.500 0.332 0.104
Rh 0.500 0.668 0.896
Rh 0.500 0.832 0.396
Rh 0.500 0.168 0.604
Rh 0.000 0.861 0.725
Rh 0.000 0.139 0.275
Rh 0.000 0.361 0.775
Rh 0.000 0.639 0.225
R... |
Below is a description of a material. | The chemical formula is: Li2CrF6.
The XRD pattern shows main peaks at: 20.1°(0.38), 21.8°(1.0), 27.5°(0.53), 34.3°(0.22), 41.4°(0.6), 44.2°(0.16), 45.4°(0.16), 49.9°(0.05), 54.5°(0.38), 56.8°(0.18), 60.8°(0.06), 69.2°(0.19).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-164223 | 4.59 4.58 8.84
90 90 90
Li 1.000 1.000 0.336
Li 0.500 0.500 0.836
Li 0.000 0.000 0.664
Li 0.500 0.500 0.164
Cr 0.500 0.500 0.500
Cr 0.000 -0.000 0.000
F 0.693 0.306 0.654
F 0.193 0.194 0.846
F 0.284 0.717 -0.000
F 0.784 0.783 0.500
F 0.716 0.283 0.000
F 0.216 0.217 0.500
F 0.193 0.194 0.154
F 0.693 0.306 0.346
F 0.807 ... |
Below is a description of a material. | The chemical formula is: Lu.
The XRD pattern shows main peaks at: 32.8°(1.0), 47.1°(0.19), 58.6°(0.4), 68.8°(0.12), 78.4°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-25068 | 3.34 3.34 3.34
109 109 109
Lu 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: MgSb.
The XRD pattern shows main peaks at: 22.4°(0.31), 27.7°(0.53), 30.7°(1.0), 40.6°(0.46), 47.1°(0.31), 52.8°(0.17), 55.5°(0.07), 57.3°(0.16), 63.9°(0.12), 75.7°(0.06), 77.2°(0.13), 83.1°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-92318 | 3.86 3.86 11.91
90 90 119
Mg 0.000 0.000 0.000
Mg 0.667 0.333 0.333
Mg 0.333 0.667 0.667
Sb 0.333 0.667 0.167
Sb 0.000 0.000 0.500
Sb 0.667 0.333 0.833 |
Below is a description of a material. | The chemical formula is: Li2Fe3O3F5.
The XRD pattern shows main peaks at: 18.6°(0.95), 21.4°(0.49), 30.5°(0.44), 36.0°(1.0), 43.8°(0.34), 49.3°(0.09), 57.9°(0.26), 63.6°(0.33).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-42543 | 5.85 5.87 5.85
90 120 119
Li 0.741 0.627 0.377
Li 0.262 0.627 0.377
Fe 0.226 0.585 0.867
Fe 0.508 0.253 0.763
Fe 0.765 0.150 0.379
O 0.755 0.365 0.610
O 0.756 0.361 0.151
O 0.221 0.365 0.610
F 0.230 0.845 0.615
F 0.724 0.882 0.136
F 0.278 0.412 0.145
F 0.740 0.897 0.583
F 0.294 0.882 0.136 |
Below is a description of a material. | The chemical formula is: Er5SbPt2.
The XRD pattern shows main peaks at: 13.3°(0.17), 31.5°(0.1), 32.9°(1.0), 35.6°(0.14), 36.9°(0.47), 40.6°(0.07), 42.9°(0.17), 50.3°(0.05), 55.1°(0.07), 69.0°(0.21).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-140342 | 8.61 8.61 8.61
126 126 78
Er 0.000 0.000 0.000
Er 0.500 0.500 -0.000
Er 0.795 0.295 0.811
Er 0.205 0.705 0.189
Er 0.484 0.984 0.189
Er 0.295 0.484 0.500
Er 0.016 0.205 0.500
Er 0.516 0.016 0.811
Er 0.705 0.516 0.500
Er 0.984 0.795 0.500
Sb 0.250 0.250 -0.000
Sb 0.750 0.750 0.000
Pt 0.140 0.640 0.780
Pt 0.860 0.360 0.22... |
Below is a description of a material. | The chemical formula is: Er6I7.
The XRD pattern shows main peaks at: 8.6°(0.14), 9.7°(0.2), 25.9°(0.05), 27.3°(0.12), 30.4°(0.33), 30.9°(1.0), 31.4°(0.1), 32.8°(0.28), 33.3°(0.07), 35.0°(0.09), 35.6°(0.07), 36.9°(0.06), 42.7°(0.13), 43.1°(0.13), 44.7°(0.12), 45.9°(0.15), 56.0°(0.07), 57.3°(0.05), 75.5°(0.06).
Generate ... | JVASP-29663 | 3.96 11.05 11.31
66 79 79
Er 0.871 0.712 0.547
Er 0.686 0.007 0.622
Er 0.237 0.729 0.797
Er 0.314 0.993 0.378
Er 0.763 0.271 0.203
Er 0.129 0.288 0.453
I 0.387 0.160 0.065
I 0.834 0.500 0.832
I 0.166 0.500 0.168
I 0.613 0.840 0.935
I 0.953 0.834 0.260
I 0.500 0.500 0.500
I 0.047 0.166 0.740 |
Below is a description of a material. | The chemical formula is: Cr3Os.
The XRD pattern shows main peaks at: 10.9°(0.87), 21.9°(0.22), 33.2°(0.12), 37.7°(0.12), 39.3°(0.22), 42.1°(0.27), 44.0°(1.0), 44.7°(0.23), 48.0°(0.06), 51.1°(0.06), 54.7°(0.06), 59.9°(0.07), 63.1°(0.15), 64.9°(0.08), 70.2°(0.07), 78.3°(0.16), 80.5°(0.08), 82.3°(0.07).
Generate atomic st... | JVASP-102777 | 2.58 2.58 8.10
90 90 112
Cr 0.500 0.500 0.735
Cr 0.000 0.000 0.500
Cr 0.500 0.500 0.265
Os 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Ba3CaTa2O9.
The XRD pattern shows main peaks at: 12.1°(0.06), 17.2°(0.09), 21.1°(0.07), 30.0°(1.0), 42.9°(0.37), 53.3°(0.35), 62.2°(0.12), 62.5°(0.12), 70.6°(0.13), 78.8°(0.06), 86.6°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-112703 | 5.94 5.94 7.33
90 90 120
Ba 0.667 0.333 0.334
Ba 0.333 0.667 0.666
Ba 0.000 0.000 0.000
Ca 0.000 0.000 0.500
Ta 0.667 0.333 0.832
Ta 0.333 0.667 0.168
O 0.177 0.823 0.314
O 0.823 0.177 0.686
O 0.500 0.500 0.000
O 0.000 0.500 0.000
O 0.646 0.823 0.314
O 0.354 0.177 0.686
O 0.177 0.354 0.314
O 0.823 0.646 0.686
O 0.500 0... |
Below is a description of a material. | The chemical formula is: FeHO2.
The XRD pattern shows main peaks at: 15.4°(1.0), 28.1°(0.84), 39.6°(0.76), 40.5°(0.22), 47.7°(0.3), 50.4°(0.09), 51.2°(0.25), 57.0°(0.23), 63.7°(0.27), 64.9°(0.07), 66.0°(0.09), 70.8°(0.1), 72.6°(0.15), 73.2°(0.09), 84.5°(0.06), 85.4°(0.08), 89.0°(0.06).
Generate atomic structure descrip... | JVASP-52431 | 5.92 5.92 3.81
90 90 27
Fe 0.322 0.322 0.250
Fe 0.678 0.678 0.750
H 0.000 0.000 0.500
H 0.000 0.000 0.000
O 0.706 0.706 0.250
O 0.294 0.294 0.750
O 0.935 0.935 0.250
O 0.065 0.065 0.750 |
Below is a description of a material. | The chemical formula is: TiMoAs.
The XRD pattern shows main peaks at: 22.8°(0.16), 32.9°(0.19), 40.0°(1.0), 40.4°(0.69), 52.7°(0.3), 58.1°(0.24), 68.9°(0.06), 72.8°(0.23), 82.0°(0.09), 82.8°(0.22), 86.2°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-186906 | 4.51 4.51 2.72
90 90 120
Ti -0.000 -0.000 -0.000
Mo 0.667 0.333 0.500
As 0.333 0.667 0.500 |
Below is a description of a material. | The chemical formula is: EuS.
The XRD pattern shows main peaks at: 27.5°(0.81), 31.9°(1.0), 45.7°(0.75), 54.2°(0.38), 56.8°(0.26), 66.6°(0.12), 75.7°(0.3), 84.5°(0.25).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-99009 | 3.97 3.97 3.97
60 60 59
Eu 0.000 0.000 0.000
S 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: BeCr2Cu.
The XRD pattern shows main peaks at: 22.4°(0.05), 29.3°(0.39), 43.9°(0.13), 45.1°(1.0), 45.8°(0.24), 55.8°(0.24), 64.3°(0.07), 75.0°(0.18), 82.8°(0.07), 84.3°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-71745 | 4.60 4.60 4.60
137 137 60
Be 0.750 0.250 0.500
Cr 0.000 0.000 0.000
Cr 0.500 0.500 0.000
Cu 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: NaCa2Tl.
The XRD pattern shows main peaks at: 19.7°(0.68), 22.8°(0.21), 32.4°(1.0), 38.2°(0.41), 40.0°(0.07), 46.5°(0.17), 50.9°(0.18), 52.3°(0.11), 57.8°(0.36), 61.7°(0.13), 67.8°(0.11), 71.4°(0.14), 72.6°(0.05), 77.2°(0.15), 80.6°(0.05), 89.5°(0.08).
Generate atomic structure description with... | JVASP-41281 | 5.53 5.53 5.53
60 60 60
Na 0.250 0.250 0.250
Ca 0.500 0.500 0.500
Ca 0.000 0.000 0.000
Tl 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: MgScZn2.
The XRD pattern shows main peaks at: 27.2°(0.15), 38.9°(1.0), 56.1°(0.16), 70.4°(0.32), 83.4°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-106563 | 4.63 4.63 4.63
60 60 60
Mg 0.500 0.500 0.500
Sc 0.000 0.000 0.000
Zn 0.250 0.250 0.250
Zn 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: TlSbO3.
The XRD pattern shows main peaks at: 19.4°(0.15), 20.7°(0.12), 25.3°(1.0), 28.4°(0.46), 33.1°(0.72), 38.1°(0.08), 39.0°(0.12), 42.1°(0.33), 44.1°(0.14), 51.4°(0.39), 54.6°(0.27), 59.1°(0.17), 69.5°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates an... | JVASP-5752 | 7.74 7.74 7.74
40 40 40
Tl 0.625 0.625 0.625
Tl 0.375 0.375 0.375
Sb 0.834 0.834 0.834
Sb 0.166 0.166 0.166
O 0.830 0.447 0.064
O 0.447 0.064 0.830
O 0.064 0.830 0.447
O 0.170 0.553 0.936
O 0.936 0.170 0.553
O 0.553 0.936 0.170 |
Below is a description of a material. | The chemical formula is: Cr7Se8.
The XRD pattern shows main peaks at: 29.7°(0.07), 31.4°(1.0), 40.9°(0.55), 41.2°(0.45), 49.0°(0.55), 53.6°(0.17), 59.3°(0.13), 61.7°(0.11), 65.5°(0.14), 65.9°(0.09), 80.2°(0.06), 81.9°(0.09), 86.0°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates an... | JVASP-52857 | 7.43 7.08 8.74
54 51 75
Cr 0.500 0.500 0.500
Cr 0.500 0.000 -0.000
Cr -0.000 0.500 0.500
Cr 0.769 0.769 0.731
Cr 0.231 0.231 0.269
Cr 0.766 0.234 0.243
Cr 0.234 0.766 0.757
Se 0.952 0.048 0.716
Se 0.048 0.952 0.284
Se 0.464 0.536 0.204
Se 0.536 0.464 0.796
Se 0.470 0.042 0.699
Se 0.042 0.470 0.789
Se 0.958 0.530 0.211
... |
Below is a description of a material. | The chemical formula is: Nb2VW.
The XRD pattern shows main peaks at: 24.0°(0.23), 39.7°(1.0), 46.9°(0.12), 57.4°(0.17), 63.1°(0.05), 72.0°(0.31), 85.5°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-156949 | 4.54 4.54 4.54
60 60 60
Nb 0.000 0.000 0.000
Nb 0.500 0.500 0.500
V 0.250 0.250 0.250
W 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: ZrNb2VC4.
The XRD pattern shows main peaks at: 8.6°(0.1), 34.6°(1.0), 40.3°(0.93), 58.1°(0.34), 69.5°(0.32), 73.0°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-107014 | 10.47 10.47 10.47
17 17 17
Zr 0.122 0.122 0.122
Nb 0.877 0.877 0.877
Nb 0.628 0.628 0.628
V 0.373 0.373 0.373
C 0.501 0.501 0.501
C 0.252 0.252 0.252
C 0.003 0.003 0.003
C 0.744 0.744 0.744 |
Below is a description of a material. | The chemical formula is: RbSnF3.
The XRD pattern shows main peaks at: 18.9°(0.09), 26.8°(1.0), 38.3°(0.38), 47.3°(0.41), 55.2°(0.24), 62.4°(0.19), 69.2°(0.09), 75.6°(0.21), 88.1°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-136612 | 4.70 4.70 4.70
90 90 90
Rb 0.000 0.000 0.000
Sn 0.500 0.500 0.500
F 0.000 0.500 0.500
F 0.500 0.000 0.500
F 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: Li3Fe3O8.
The XRD pattern shows main peaks at: 18.6°(1.0), 19.2°(0.33), 22.1°(0.14), 31.0°(0.1), 37.4°(0.35), 45.0°(0.59), 49.1°(0.07), 58.9°(0.17), 64.6°(0.16), 66.4°(0.16), 83.9°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-147379 | 5.78 5.63 5.63
60 90 60
Li 0.999 0.001 1.000
Li 0.137 0.242 0.379
Li 0.861 0.759 0.621
Fe 0.499 0.001 1.000
Fe 0.499 0.501 0.500
Fe 0.499 0.501 1.000
O 0.287 0.962 0.249
O 0.287 0.962 0.790
O 0.287 0.502 0.249
O 0.284 0.477 0.761
O 0.711 0.039 0.751
O 0.711 0.039 0.210
O 0.711 0.499 0.751
O 0.714 0.524 0.238 |
Below is a description of a material. | The chemical formula is: K2PAu.
The XRD pattern shows main peaks at: 15.1°(1.0), 18.2°(0.36), 24.1°(0.11), 30.1°(0.43), 32.6°(0.56), 33.4°(0.09), 34.2°(0.21), 37.0°(0.07), 37.8°(0.38), 42.3°(0.27), 44.6°(0.07), 47.5°(0.07), 48.1°(0.1), 53.1°(0.1), 53.9°(0.12), 55.4°(0.17), 57.2°(0.11), 58.2°(0.06), 68.1°(0.08), 70.3°(0... | JVASP-3030 | 6.10 6.10 6.22
90 90 105
K 0.973 0.320 0.750
K 0.027 0.680 0.250
K 0.680 0.027 0.250
K 0.320 0.973 0.750
P 0.247 0.247 0.250
P 0.753 0.753 0.750
Au 0.500 0.500 0.500
Au 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: Tb3Ce.
The XRD pattern shows main peaks at: 31.1°(1.0), 36.1°(0.5), 52.0°(0.32), 61.8°(0.42), 64.9°(0.12), 76.5°(0.05), 84.9°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-101025 | 6.10 6.10 6.10
131 131 70
Tb 0.750 0.250 0.500
Tb 0.250 0.750 0.500
Tb 0.500 0.500 -0.000
Ce 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: PbClO.
The XRD pattern shows main peaks at: 21.5°(1.0), 24.9°(0.55), 33.1°(0.67), 37.8°(0.51), 43.9°(0.18), 45.8°(0.59), 51.1°(0.31), 56.1°(0.17), 65.3°(0.41), 68.2°(0.09), 69.6°(0.1), 73.8°(0.15), 86.0°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and a... | JVASP-136389 | 4.76 4.76 3.58
90 90 120
Pb 0.667 0.333 0.000
Cl 0.000 0.000 0.000
O 0.333 0.667 0.000 |
Below is a description of a material. | The chemical formula is: Ta2CrNO5.
The XRD pattern shows main peaks at: 19.2°(0.09), 21.2°(0.37), 26.8°(0.71), 33.1°(0.06), 34.8°(1.0), 38.2°(0.29), 44.2°(0.07), 47.9°(0.06), 52.5°(0.43), 54.8°(0.1), 55.3°(0.1), 62.1°(0.1), 66.8°(0.23), 79.3°(0.08), 79.9°(0.08), 81.7°(0.05).
Generate atomic structure description with l... | JVASP-42453 | 4.72 4.72 9.23
90 90 89
Ta 0.000 0.000 0.343
Ta 0.000 0.000 0.657
Ta 0.500 0.500 0.168
Ta 0.500 0.500 0.832
Cr 0.000 0.000 0.000
Cr 0.500 0.500 0.500
N 0.199 0.801 0.500
N 0.801 0.199 0.500
O 0.695 0.695 0.672
O 0.695 0.695 0.328
O 0.697 0.697 0.000
O 0.303 0.303 0.000
O 0.198 0.802 0.838
O 0.305 0.305 0.328
O 0.198 0.... |
Below is a description of a material. | The chemical formula is: PaGa3.
The XRD pattern shows main peaks at: 16.3°(0.07), 25.6°(0.48), 28.5°(0.21), 33.0°(0.28), 38.7°(1.0), 39.8°(0.21), 44.1°(0.09), 48.7°(0.09), 49.6°(0.1), 52.6°(0.15), 58.9°(0.19), 60.9°(0.07), 65.3°(0.1), 71.4°(0.17), 72.7°(0.14), 73.4°(0.18), 79.9°(0.06).
Generate atomic structure descrip... | JVASP-172261 | 6.27 6.27 4.53
90 90 119
Pa 0.333 0.667 0.750
Pa 0.667 0.333 0.250
Ga 0.149 0.298 0.250
Ga 0.702 0.851 0.250
Ga 0.149 0.851 0.250
Ga 0.851 0.702 0.750
Ga 0.298 0.149 0.750
Ga 0.851 0.149 0.750 |
Below is a description of a material. | The chemical formula is: BN.
The XRD pattern shows main peaks at: 27.2°(1.0), 41.5°(0.05), 43.8°(0.23), 56.1°(0.07), 60.0°(0.07), 75.7°(0.07), 82.2°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-22673 | 2.51 2.51 6.56
90 90 120
B 0.000 0.000 0.000
B 0.333 0.667 0.500
N 0.333 0.667 0.000
N 0.667 0.333 0.500 |
Below is a description of a material. | The chemical formula is: AlFeO2.
The XRD pattern shows main peaks at: 17.7°(0.24), 33.4°(0.17), 35.8°(0.55), 38.1°(1.0), 48.0°(0.81), 49.8°(0.35), 51.6°(0.06), 61.4°(0.41), 65.9°(0.31), 70.3°(0.21), 76.0°(0.08), 81.5°(0.18), 82.8°(0.2).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-186621 | 2.68 2.68 5.01
90 90 90
Al 0.500 0.500 0.476
Fe -0.000 -0.000 -0.067
O -0.000 -0.000 0.488
O 0.500 0.500 0.112 |
Below is a description of a material. | The chemical formula is: Y2NiAgC.
The XRD pattern shows main peaks at: 35.2°(1.0), 36.0°(0.51), 49.4°(0.09), 51.8°(0.18), 62.6°(0.17), 64.2°(0.31), 74.4°(0.11), 76.3°(0.05), 83.3°(0.07), 86.9°(0.07), 87.3°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-192857 | 4.99 4.99 3.69
90 90 90
Y 0.000 0.500 0.000
Y 0.500 -0.000 -0.000
Ni -0.000 -0.000 0.500
C -0.000 -0.000 -0.000
Ag 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: ZrPdF3.
The XRD pattern shows main peaks at: 20.8°(0.05), 29.5°(1.0), 42.3°(0.41), 52.4°(0.44), 61.3°(0.25), 69.5°(0.18), 77.3°(0.08), 84.9°(0.2).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-178847 | 4.28 4.28 4.28
90 90 90
Zr 0.000 0.000 0.000
Pd 0.500 0.500 0.500
F 0.000 0.500 0.500
F 0.500 0.500 0.000
F 0.500 0.000 0.500 |
Below is a description of a material. | The chemical formula is: Pu2O3.
The XRD pattern shows main peaks at: 27.4°(0.26), 30.1°(0.26), 31.3°(1.0), 41.1°(0.22), 48.4°(0.28), 54.2°(0.26), 58.0°(0.24), 58.8°(0.18), 65.3°(0.05), 75.6°(0.1), 79.5°(0.16), 82.8°(0.09), 85.3°(0.05), 87.4°(0.07).
Generate atomic structure description with lattice lengths, angles, coo... | JVASP-18087 | 3.76 3.76 5.94
90 90 120
Pu 0.333 0.667 0.758
Pu 0.667 0.333 0.242
O 0.000 0.000 0.000
O 0.333 0.667 0.358
O 0.667 0.333 0.642 |
Below is a description of a material. | The chemical formula is: Y2Si5Ni3.
The XRD pattern shows main peaks at: 25.7°(0.12), 31.5°(0.18), 32.1°(0.16), 36.1°(1.0), 36.8°(0.55), 37.4°(0.46), 45.6°(0.66), 53.1°(0.26), 59.1°(0.2), 59.9°(0.2), 65.8°(0.11), 67.3°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-169174 | 5.67 7.87 7.87
74 68 68
Y 0.631 0.106 0.632
Y 0.369 0.894 0.368
Y 0.869 0.368 0.894
Y 0.131 0.632 0.106
Si 0.250 -0.000 0.000
Si 0.750 -0.000 0.000
Si 0.984 0.266 0.266
Si 0.516 0.734 0.734
Si 0.016 0.734 0.734
Si 0.484 0.266 0.266
Si 0.393 0.455 0.759
Si 0.607 0.545 0.241
Si 0.893 0.759 0.455
Si 0.107 0.241 0.545
Ni 0... |
Below is a description of a material. | The chemical formula is: Sr2SiS4.
The XRD pattern shows main peaks at: 19.5°(0.55), 20.8°(0.11), 26.5°(0.31), 26.9°(0.5), 28.5°(0.11), 30.5°(1.0), 33.4°(0.81), 35.5°(0.78), 39.6°(0.46), 44.0°(0.3), 44.5°(0.14), 45.6°(0.19), 48.5°(0.11), 51.9°(0.23), 52.3°(0.13), 55.5°(0.17), 57.9°(0.12), 60.7°(0.19), 64.7°(0.16), 73.4°... | JVASP-174445 | 6.62 6.60 8.23
71 90 90
Sr 0.750 0.283 0.049
Sr 0.250 0.717 0.951
Sr 0.750 0.223 0.572
Sr 0.250 0.777 0.428
Si 0.750 0.719 0.204
Si 0.250 0.281 0.796
S 0.750 0.887 0.936
S 0.250 0.113 0.064
S 0.750 0.915 0.367
S 0.250 0.085 0.633
S 0.499 0.506 0.264
S 0.999 0.494 0.736
S 0.501 0.494 0.736
S 0.001 0.506 0.264 |
Below is a description of a material. | The chemical formula is: Ca2CrSbO6.
The XRD pattern shows main peaks at: 15.9°(0.13), 16.4°(0.13), 22.9°(0.48), 27.9°(0.08), 32.1°(0.24), 32.5°(1.0), 33.1°(0.25), 46.8°(0.33), 52.1°(0.08), 52.6°(0.12), 57.6°(0.24), 58.3°(0.12), 58.8°(0.27), 68.2°(0.15), 77.8°(0.06).
Generate atomic structure description with lattice le... | JVASP-19386 | 5.41 7.80 5.57
90 90 90
Ca 0.484 0.250 0.567
Ca 0.516 0.750 0.433
Ca 0.007 0.250 0.043
Ca 0.993 0.750 0.957
Cr 0.500 0.500 -0.000
Cr 0.500 0.000 -0.000
Sb -0.000 0.500 0.500
Sb -0.000 0.000 0.500
O 0.298 0.451 0.300
O 0.588 0.250 0.973
O 0.702 0.951 0.700
O 0.099 0.750 0.530
O 0.198 0.049 0.794
O 0.802 0.951 0.206
O 0.... |
Below is a description of a material. | The chemical formula is: CrFeGe2.
The XRD pattern shows main peaks at: 32.9°(0.27), 38.1°(0.09), 42.8°(1.0), 47.2°(0.55), 65.5°(0.08), 75.4°(0.18), 81.4°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-108944 | 4.69 4.73 4.73
90 90 90
Cr 0.635 0.627 0.892
Cr 0.135 0.373 0.108
Fe 0.366 0.862 0.382
Fe 0.866 0.138 0.618
Ge 0.342 0.338 0.587
Ge 0.842 0.662 0.413
Ge 0.657 0.152 0.097
Ge 0.157 0.848 0.903 |
Below is a description of a material. | The chemical formula is: HePb3.
The XRD pattern shows main peaks at: 18.5°(0.3), 26.3°(0.25), 32.3°(1.0), 37.5°(0.51), 42.1°(0.16), 46.4°(0.11), 54.1°(0.33), 57.6°(0.08), 61.1°(0.05), 64.4°(0.44), 67.6°(0.12), 73.9°(0.06), 80.0°(0.06), 88.9°(0.2).
Generate atomic structure description with lattice lengths, angles, coor... | JVASP-126387 | 4.80 4.80 4.80
90 90 90
He 0.000 0.500 0.000
Pb 0.000 0.000 0.500
Pb 0.500 0.500 0.500
Pb 0.500 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Ac2CuSi.
The XRD pattern shows main peaks at: 23.2°(0.52), 33.0°(1.0), 40.8°(0.16), 47.4°(0.19), 53.4°(0.22), 59.0°(0.42), 69.3°(0.13), 74.2°(0.12), 79.0°(0.17), 83.7°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-40236 | 5.42 5.42 5.42
60 60 60
Ac 0.000 0.000 0.000
Ac 0.500 0.500 0.500
Cu 0.250 0.250 0.250
Si 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: PO7.
The XRD pattern shows main peaks at: 18.8°(0.41), 23.6°(0.81), 25.4°(0.11), 26.1°(0.14), 36.7°(0.32), 38.2°(1.0), 38.8°(0.21), 39.4°(0.59), 43.7°(0.11), 48.2°(0.19), 53.7°(0.17), 57.4°(0.06), 61.6°(0.15), 67.9°(0.08), 71.9°(0.1), 75.8°(0.07).
Generate atomic structure description with latt... | JVASP-124589 | 4.16 5.14 5.14
71 70 70
P 0.791 0.293 0.787
O 0.207 0.212 0.708
O 0.164 0.716 0.221
O 0.836 0.779 0.284
O 0.816 0.219 0.219
O 0.185 0.780 0.781
O 0.151 0.154 0.155
O 0.850 0.845 0.845 |
Below is a description of a material. | The chemical formula is: NdBi5.
The XRD pattern shows main peaks at: 27.2°(1.0), 38.9°(0.77), 48.1°(0.22), 56.1°(0.13), 63.5°(0.2), 70.4°(0.22).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-123824 | 4.63 4.63 11.35
90 90 120
Nd 0.000 0.000 0.250
Bi 0.667 0.333 0.083
Bi 0.667 0.333 0.584
Bi 0.333 0.667 0.417
Bi 0.333 0.667 0.916
Bi 0.000 0.000 0.750 |
Below is a description of a material. | The chemical formula is: YTlCd.
The XRD pattern shows main peaks at: 21.6°(0.21), 25.0°(0.34), 35.6°(1.0), 42.0°(0.1), 44.0°(0.1), 51.2°(0.18), 57.8°(0.15), 63.9°(0.36), 75.3°(0.11), 86.2°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-39510 | 5.05 5.05 5.05
60 59 59
Y 0.250 0.250 0.250
Tl 0.500 0.500 0.500
Cd 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: UGe2Rh2.
The XRD pattern shows main peaks at: 23.0°(0.12), 30.1°(0.21), 34.1°(0.69), 35.1°(1.0), 43.1°(0.53), 50.1°(0.29), 56.1°(0.35), 57.1°(0.07), 62.6°(0.17), 68.2°(0.24), 73.3°(0.08), 73.9°(0.23), 84.2°(0.07), 89.0°(0.1).
Generate atomic structure description with lattice lengths, angles, c... | JVASP-151387 | 4.19 4.19 10.11
90 90 90
U 0.250 0.250 0.745
U 0.750 0.750 0.255
Ge 0.750 0.250 0.500
Ge 0.250 0.750 0.500
Ge 0.250 0.250 0.132
Ge 0.750 0.750 0.868
Rh 0.750 0.250 0.000
Rh 0.250 0.750 0.000
Rh 0.250 0.250 0.369
Rh 0.750 0.750 0.631 |
Below is a description of a material. | The chemical formula is: BaZn2N2.
The XRD pattern shows main peaks at: 27.0°(0.08), 31.4°(1.0), 39.5°(0.44), 41.0°(0.11), 50.0°(0.3), 50.6°(0.11), 57.8°(0.06), 60.3°(0.14), 63.6°(0.12), 65.5°(0.09), 66.6°(0.16), 82.0°(0.12), 85.0°(0.06), 86.7°(0.08).
Generate atomic structure description with lattice lengths, angles, c... | JVASP-106161 | 3.65 3.65 6.60
90 90 120
Ba 0.000 0.000 0.500
Zn 0.667 0.333 0.121
Zn 0.333 0.667 0.879
N 0.667 0.333 0.791
N 0.333 0.667 0.209 |
Below is a description of a material. | The chemical formula is: BePSe2.
The XRD pattern shows main peaks at: 21.5°(0.18), 31.1°(1.0), 32.4°(0.23), 36.4°(0.2), 41.6°(0.34), 47.3°(0.09), 53.4°(0.3), 53.7°(0.23), 60.3°(0.11), 69.4°(0.2), 70.2°(0.1), 71.7°(0.08), 84.7°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and at... | JVASP-71265 | 3.07 3.07 8.28
90 90 90
Be 0.000 0.000 0.671
P 0.500 0.500 0.583
Se 0.000 0.000 0.932
Se 0.500 0.500 0.315 |
Below is a description of a material. | The chemical formula is: MgPb3.
The XRD pattern shows main peaks at: 8.2°(0.21), 16.4°(0.08), 24.7°(0.14), 29.1°(0.28), 30.3°(0.2), 33.2°(0.2), 33.6°(1.0), 38.6°(0.07), 44.7°(0.15), 51.7°(0.32), 58.1°(0.09), 62.8°(0.21), 85.8°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and at... | JVASP-38642 | 3.54 3.54 10.80
90 90 120
Mg 0.333 0.667 0.500
Pb 0.000 0.000 0.729
Pb 0.333 0.667 0.000
Pb 0.000 0.000 0.271 |
Below is a description of a material. | The chemical formula is: Ca5Sn3.
The XRD pattern shows main peaks at: 11.6°(0.24), 19.4°(0.65), 23.3°(0.19), 30.3°(1.0), 31.2°(0.16), 32.2°(0.37), 35.0°(0.64), 38.5°(0.34), 42.5°(0.06), 46.3°(0.19), 47.6°(0.12), 58.2°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-133381 | 9.56 9.56 9.56
129 129 73
Ca 0.818 0.318 0.849
Ca 0.182 0.682 0.151
Ca 0.469 0.969 0.151
Ca 0.318 0.469 0.500
Ca 0.031 0.182 0.500
Ca 0.531 0.031 0.849
Ca 0.682 0.531 0.500
Ca 0.969 0.818 0.500
Ca 0.000 0.000 0.000
Ca 0.500 0.500 -0.000
Sn 0.126 0.626 0.752
Sn 0.874 0.374 0.248
Sn 0.626 0.874 0.500
Sn 0.374 0.126 0.500... |
Below is a description of a material. | The chemical formula is: Ti2Zn.
The XRD pattern shows main peaks at: 14.7°(0.05), 38.9°(1.0), 45.3°(0.43), 65.9°(0.27), 79.3°(0.29), 83.6°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-36526 | 2.83 2.83 6.34
102 102 90
Ti 0.665 0.665 0.331
Ti 0.335 0.335 0.669
Zn 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: RuC.
The XRD pattern shows main peaks at: 34.1°(1.0), 39.5°(0.44), 57.1°(0.41), 68.2°(0.43), 71.7°(0.1), 85.1°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-36402 | 3.22 3.22 3.22
60 60 60
Ru 0.000 0.000 0.000
C 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: SrMg.
The XRD pattern shows main peaks at: 21.4°(0.38), 30.4°(1.0), 37.5°(0.12), 43.6°(0.19), 49.0°(0.15), 54.1°(0.41), 63.3°(0.12), 67.7°(0.08), 71.9°(0.17), 88.0°(0.2).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-8009 | 4.15 4.15 4.15
90 90 90
Sr 0.500 0.500 0.500
Mg 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: MgSnO2.
The XRD pattern shows main peaks at: 18.6°(0.19), 19.2°(0.44), 21.3°(0.43), 22.6°(0.94), 25.5°(0.18), 27.2°(1.0), 27.9°(0.27), 30.0°(0.44), 31.0°(0.71), 32.9°(0.42), 34.7°(0.47), 35.1°(0.68), 40.6°(0.4), 42.3°(0.22), 43.7°(0.16), 45.3°(0.44), 46.3°(0.22), 50.5°(0.16), 54.5°(0.26), 56.9°... | JVASP-9218 | 3.37 10.49 8.54
62 101 89
Mg 0.821 0.861 0.115
Mg 0.195 0.112 0.865
Mg 0.125 0.902 0.724
Mg 0.891 0.070 0.257
Sn 0.315 0.609 0.099
Sn 0.532 0.720 0.533
Sn 0.484 0.253 0.448
Sn 0.701 0.363 0.882
O 0.139 0.330 0.754
O 0.410 0.144 0.298
O 0.606 0.829 0.683
O 0.877 0.642 0.227
O 0.764 0.096 0.003
O -0.053 0.854 0.365
O 0.2... |
Below is a description of a material. | The chemical formula is: TaAl2O3.
The XRD pattern shows main peaks at: 20.2°(1.0), 32.7°(0.18), 35.3°(0.6), 38.8°(0.72), 41.0°(0.35), 48.9°(0.14), 53.5°(0.48), 55.3°(0.14), 63.4°(0.11), 65.7°(0.35), 68.6°(0.05), 74.8°(0.11), 79.6°(0.13), 83.1°(0.08), 87.6°(0.16).
Generate atomic structure description with lattice lengt... | JVASP-186831 | 5.08 5.08 2.74
90 90 120
Ta 0.000 0.000 0.000
Al 0.667 0.333 0.500
Al 0.333 0.667 0.500
O 0.500 0.000 0.000
O 0.000 0.500 -0.000
O 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: HoPt.
The XRD pattern shows main peaks at: 20.5°(0.13), 28.6°(0.16), 32.5°(0.71), 34.8°(0.43), 36.4°(1.0), 40.3°(0.94), 42.1°(0.18), 46.9°(0.11), 51.1°(0.06), 54.2°(0.24), 55.2°(0.25), 59.6°(0.14), 64.4°(0.13), 68.1°(0.17), 70.5°(0.3), 73.1°(0.19), 77.0°(0.07), 78.6°(0.15), 79.8°(0.05), 81.6°(0... | JVASP-149984 | 4.49 5.55 6.98
90 90 90
Ho 0.750 0.857 0.182
Ho 0.250 0.357 0.318
Ho 0.250 0.143 0.818
Ho 0.750 0.643 0.682
Pt 0.750 0.340 0.045
Pt 0.250 0.840 0.455
Pt 0.250 0.660 0.955
Pt 0.750 0.160 0.545 |
Below is a description of a material. | The chemical formula is: Dy5SbAu2.
The XRD pattern shows main peaks at: 20.7°(0.11), 27.6°(1.0), 31.2°(0.37), 32.0°(0.19), 34.5°(0.09), 37.9°(0.43), 38.7°(0.48), 46.2°(0.24), 50.6°(0.23), 62.7°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-55181 | 7.35 7.35 10.04
111 111 90
Dy 0.670 0.170 0.667
Dy 0.170 0.997 0.667
Dy 0.503 0.330 0.333
Dy 0.497 0.670 0.667
Dy 0.830 0.003 0.333
Dy 0.000 0.000 0.000
Dy 0.997 0.497 0.667
Dy 0.500 0.500 0.000
Dy 0.330 0.830 0.333
Dy 0.003 0.503 0.333
Sb 0.250 0.250 0.500
Sb 0.750 0.750 0.500
Au 0.372 0.128 0.000
Au 0.628 0.872 -0.00... |
Below is a description of a material. | The chemical formula is: AlNF.
The XRD pattern shows main peaks at: 30.5°(0.43), 31.3°(0.14), 44.3°(1.0), 55.7°(0.61), 63.5°(0.13), 64.9°(0.25), 73.8°(0.18), 89.4°(0.25).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-178909 | 3.30 3.30 2.93
90 90 120
Al 0.333 0.667 0.500
N 0.000 0.000 -0.000
F 0.667 0.333 0.500 |
Below is a description of a material. | The chemical formula is: MgMn6Sn6.
The XRD pattern shows main peaks at: 9.9°(0.07), 27.5°(0.46), 30.0°(0.06), 32.9°(0.92), 35.6°(0.25), 38.1°(0.18), 38.7°(0.66), 40.4°(0.25), 43.4°(1.0), 44.9°(0.3), 49.3°(0.06), 53.0°(0.15), 55.5°(0.15), 58.7°(0.19), 60.5°(0.12), 62.6°(0.16), 67.1°(0.15), 68.9°(0.29), 83.0°(0.19), 85.1... | JVASP-171511 | 5.45 5.45 8.94
90 90 120
Mg 0.000 0.000 -0.000
Mn 0.500 0.500 0.751
Mn 0.500 0.500 0.249
Mn 0.000 0.500 0.751
Mn -0.000 0.500 0.249
Mn 0.500 -0.000 0.751
Mn 0.500 0.000 0.249
Sn 0.000 0.000 0.679
Sn -0.000 -0.000 0.321
Sn 0.667 0.333 0.000
Sn 0.333 0.667 -0.000
Sn 0.667 0.333 0.500
Sn 0.333 0.667 0.500 |
Below is a description of a material. | The chemical formula is: Mg2GaPd.
The XRD pattern shows main peaks at: 23.7°(0.05), 27.5°(0.42), 39.3°(1.0), 48.6°(0.12), 56.7°(0.16), 64.2°(0.15), 71.2°(0.34), 84.4°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-109562 | 4.59 4.59 4.59
59 59 60
Mg 0.750 0.750 0.750
Mg 0.250 0.250 0.250
Ga 0.500 0.500 0.500
Pd 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Ti2NbW.
The XRD pattern shows main peaks at: 19.5°(0.32), 21.6°(0.13), 34.0°(0.17), 39.0°(0.24), 39.5°(1.0), 44.0°(0.08), 53.2°(0.1), 56.8°(0.15), 57.4°(0.07), 71.0°(0.15), 71.9°(0.16), 85.0°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-188777 | 3.21 5.35 5.35
51 72 72
Ti 0.986 0.014 0.014
Ti 0.514 0.486 0.486
Nb 0.750 0.750 0.750
W 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: TbDyHg2.
The XRD pattern shows main peaks at: 34.2°(1.0), 49.2°(0.17), 61.3°(0.35), 72.1°(0.11), 82.3°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-177384 | 5.24 5.24 5.24
60 60 60
Tb 0.750 0.750 0.750
Dy 0.250 0.250 0.250
Hg 0.000 0.000 0.000
Hg 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: V2PC.
The XRD pattern shows main peaks at: 33.5°(0.25), 34.6°(0.09), 41.9°(1.0), 47.6°(0.07), 60.0°(0.27), 75.9°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-16005 | 3.09 3.09 10.92
90 90 120
V 0.667 0.333 0.598
V 0.333 0.667 0.098
V 0.333 0.667 0.402
V 0.667 0.333 0.902
P 0.667 0.333 0.250
P 0.333 0.667 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: NbSe4.
The XRD pattern shows main peaks at: 14.8°(0.55), 27.6°(0.22), 31.5°(0.07), 35.0°(0.35), 36.3°(1.0), 41.1°(0.24), 43.9°(0.16), 48.1°(0.26), 54.7°(0.31), 57.1°(0.09), 65.9°(0.06), 69.2°(0.14), 73.2°(0.15), 77.7°(0.12), 83.0°(0.09), 86.7°(0.07), 89.4°(0.09).
Generate atomic structure descr... | JVASP-151597 | 5.99 5.99 6.46
90 90 90
Nb 0.000 0.000 0.245
Nb 0.000 0.000 0.745
Se 0.139 0.336 0.995
Se 0.861 0.664 0.995
Se 0.664 0.139 0.995
Se 0.336 0.861 0.995
Se 0.139 0.664 0.495
Se 0.861 0.336 0.495
Se 0.664 0.861 0.495
Se 0.336 0.139 0.495 |
Below is a description of a material. | The chemical formula is: ZnH6C5O4.
The XRD pattern shows main peaks at: 12.0°(1.0), 22.4°(0.12), 23.0°(0.61), 24.4°(0.64), 26.5°(0.14), 27.6°(0.25), 30.9°(0.24), 31.5°(0.19), 32.9°(0.09), 34.8°(0.08), 36.2°(0.15), 38.1°(0.11), 38.9°(0.11), 41.4°(0.06), 42.5°(0.1), 43.5°(0.08), 47.0°(0.06), 51.9°(0.06), 55.5°(0.06).
Gen... | JVASP-101908 | 4.44 4.85 7.43
83 97 115
Zn 0.034 0.742 0.268
H 0.242 0.390 0.647
H 0.017 0.010 0.573
H 0.520 0.907 0.750
H 0.882 0.479 0.808
H 0.218 0.921 0.877
H 0.586 0.458 0.949
C 0.495 0.269 0.467
C 0.267 0.185 0.617
C 0.420 0.060 0.790
C 0.693 0.319 0.897
C 0.883 0.219 0.056
O 0.733 0.541 0.463
O 0.464 0.069 0.360
O 0.835 0.939 ... |
Below is a description of a material. | The chemical formula is: K2NaYCl6.
The XRD pattern shows main peaks at: 14.6°(0.32), 16.8°(0.38), 23.9°(0.47), 29.4°(0.42), 34.1°(1.0), 49.0°(0.6), 61.0°(0.21), 71.7°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-104501 | 7.44 7.44 7.44
60 60 60
K 0.750 0.750 0.750
K 0.250 0.250 0.250
Na 0.500 0.500 0.500
Y 0.000 0.000 0.000
Cl 0.752 0.248 0.248
Cl 0.248 0.248 0.752
Cl 0.248 0.752 0.752
Cl 0.248 0.752 0.248
Cl 0.752 0.248 0.752
Cl 0.752 0.752 0.248 |
Below is a description of a material. | The chemical formula is: PtSCl2.
The XRD pattern shows main peaks at: 16.3°(0.85), 23.7°(0.74), 28.9°(0.86), 33.0°(0.56), 33.8°(1.0), 37.7°(0.47), 41.0°(0.37), 47.9°(0.79), 48.5°(0.38), 51.5°(0.2), 54.7°(0.15), 56.4°(0.15), 57.4°(0.26), 59.9°(0.39), 65.3°(0.19), 71.0°(0.12), 79.2°(0.18), 80.5°(0.16), 81.0°(0.16), 88.9°... | JVASP-114806 | 3.75 3.75 5.43
90 90 90
Pt 0.500 0.500 0.502
S 0.000 0.000 0.002
Cl 0.000 0.000 0.503
Cl 0.500 0.500 0.003 |
Below is a description of a material. | The chemical formula is: TbNiGe.
The XRD pattern shows main peaks at: 24.3°(0.17), 35.0°(0.31), 35.6°(1.0), 39.5°(0.09), 40.8°(0.14), 42.7°(0.26), 43.1°(0.37), 52.6°(0.06), 56.8°(0.22), 58.8°(0.1), 59.5°(0.06), 60.5°(0.09), 65.8°(0.06), 69.4°(0.16), 73.5°(0.11), 76.7°(0.08), 78.4°(0.06), 81.6°(0.07).
Generate atomic st... | JVASP-152148 | 4.24 6.96 7.25
90 90 90
Tb 0.250 0.991 0.293
Tb 0.750 0.509 0.793
Tb 0.750 0.009 0.707
Tb 0.250 0.491 0.207
Ni 0.250 0.195 0.918
Ni 0.750 0.305 0.418
Ni 0.750 0.805 0.082
Ni 0.250 0.695 0.582
Ge 0.250 0.302 0.589
Ge 0.750 0.198 0.089
Ge 0.750 0.698 0.411
Ge 0.250 0.802 0.911 |
Below is a description of a material. | The chemical formula is: Sn7O.
The XRD pattern shows main peaks at: 19.9°(0.05), 24.4°(1.0), 31.7°(0.16), 34.8°(0.15), 40.4°(0.73), 43.0°(0.08), 47.8°(0.44), 54.4°(0.05), 58.5°(0.11), 60.5°(0.09), 62.4°(0.07), 64.4°(0.16), 73.5°(0.2), 77.1°(0.07), 78.8°(0.1), 82.3°(0.09), 87.4°(0.05).
Generate atomic structure descript... | JVASP-122594 | 6.31 6.31 6.31
90 90 90
Sn 0.220 0.220 0.720
Sn 0.000 0.500 0.000
Sn 0.220 0.780 0.280
Sn 0.500 0.000 0.000
Sn 0.780 0.220 0.280
Sn 0.500 0.500 0.500
Sn 0.780 0.780 0.720
O 0.000 0.000 0.500 |
Below is a description of a material. | The chemical formula is: Y2Au.
The XRD pattern shows main peaks at: 20.6°(0.19), 23.5°(0.35), 24.1°(0.48), 25.1°(0.2), 29.7°(0.32), 31.0°(0.18), 32.2°(0.21), 32.6°(1.0), 35.2°(0.78), 36.4°(0.62), 40.3°(0.16), 43.3°(0.25), 43.7°(0.73), 49.4°(0.13), 57.8°(0.23), 63.1°(0.13), 64.7°(0.21), 68.4°(0.14), 69.7°(0.16), 70.5°(0... | JVASP-37457 | 4.94 7.10 8.94
90 90 90
Y 0.750 0.850 0.082
Y 0.250 0.512 0.176
Y 0.250 0.012 0.324
Y 0.750 0.350 0.418
Y 0.250 0.650 0.582
Y 0.750 0.988 0.676
Y 0.750 0.488 0.824
Y 0.250 0.150 0.918
Au 0.750 0.258 0.098
Au 0.750 0.758 0.402
Au 0.250 0.242 0.598
Au 0.250 0.742 0.902 |
Below is a description of a material. | The chemical formula is: KBe2Si.
The XRD pattern shows main peaks at: 23.8°(0.69), 39.3°(1.0), 46.5°(0.3), 56.8°(0.15), 62.5°(0.11), 71.3°(0.31), 76.4°(0.07), 84.6°(0.1), 89.5°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-74438 | 4.58 4.58 4.58
119 119 90
K 0.500 0.500 0.000
Be 0.000 0.000 0.000
Be 0.250 0.750 0.500
Si 0.750 0.250 0.500 |
Below is a description of a material. | The chemical formula is: DyMn6Ge6.
The XRD pattern shows main peaks at: 10.9°(0.09), 22.7°(0.11), 33.1°(0.11), 34.7°(0.81), 38.9°(0.44), 40.3°(0.52), 41.4°(1.0), 44.7°(0.25), 46.3°(0.38), 48.7°(0.21), 49.3°(0.09), 53.1°(0.18), 57.8°(0.09), 62.2°(0.15), 65.0°(0.18), 66.8°(0.24), 73.3°(0.28), 86.2°(0.09).
Generate atomic... | JVASP-153993 | 5.17 5.17 8.11
90 90 120
Dy 0.000 0.000 0.000
Mn 0.500 0.000 0.251
Mn 0.000 0.500 0.251
Mn 0.500 0.500 0.251
Mn 0.000 0.500 0.749
Mn 0.500 0.000 0.749
Mn 0.500 0.500 0.749
Ge 0.333 0.667 0.500
Ge 0.667 0.333 0.500
Ge 0.333 0.667 0.000
Ge 0.667 0.333 0.000
Ge 0.000 0.000 0.344
Ge 0.000 0.000 0.656 |
Below is a description of a material. | The chemical formula is: Bi.
The XRD pattern shows main peaks at: 26.9°(1.0), 37.4°(0.4), 39.3°(0.41), 43.8°(0.06), 45.0°(0.07), 48.3°(0.2), 55.4°(0.13), 61.2°(0.14), 63.9°(0.19), 70.0°(0.14), 71.3°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-18338 | 4.82 4.82 4.82
56 56 56
Bi 0.235 0.235 0.235
Bi 0.765 0.765 0.765 |
Below is a description of a material. | The chemical formula is: SrMn2P2.
The XRD pattern shows main peaks at: 29.6°(1.0), 37.0°(0.43), 37.9°(0.15), 47.3°(0.46), 56.8°(0.15), 58.9°(0.14), 61.5°(0.09), 62.2°(0.19), 68.9°(0.06), 76.9°(0.12), 78.7°(0.06), 81.0°(0.08), 87.9°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates an... | JVASP-15605 | 3.85 3.85 7.11
90 90 119
Sr 0.000 0.000 0.000
Mn 0.667 0.333 0.612
Mn 0.333 0.667 0.388
P 0.667 0.333 0.293
P 0.333 0.667 0.707 |
Below is a description of a material. | The chemical formula is: PrScGe.
The XRD pattern shows main peaks at: 11.0°(0.16), 22.2°(0.15), 26.5°(0.64), 29.2°(0.97), 31.3°(0.89), 33.6°(0.31), 34.9°(1.0), 37.0°(0.87), 41.8°(0.82), 54.6°(0.3), 55.5°(0.57), 55.9°(0.33), 60.6°(0.25), 71.8°(0.07).
Generate atomic structure description with lattice lengths, angles, co... | JVASP-15437 | 4.32 4.32 8.57
104 104 90
Pr 0.677 0.677 0.353
Pr 0.323 0.323 0.647
Sc -0.000 0.500 -0.000
Sc 0.500 0.000 -0.000
Ge 0.122 0.122 0.244
Ge 0.878 0.878 0.756 |
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