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: KBa2Bi2O9.
The XRD pattern shows main peaks at: 11.3°(0.05), 17.3°(0.58), 20.7°(0.18), 28.7°(1.0), 30.2°(0.74), 35.0°(0.1), 42.1°(0.59), 49.8°(0.17), 52.7°(0.42), 53.6°(0.15), 56.3°(0.12), 59.3°(0.15), 62.8°(0.14), 70.4°(0.18), 78.5°(0.09).
Generate atomic structure description with lattice len... | JVASP-116693 | 5.92 5.92 7.84
90 90 120
K 0.000 0.000 0.000
Ba 0.667 0.333 0.355
Ba 0.333 0.667 0.645
Bi 0.333 0.667 0.159
Bi 0.667 0.333 0.841
O 0.500 0.000 0.000
O 0.825 0.650 0.667
O 0.175 0.350 0.333
O 0.825 0.175 0.667
O 0.175 0.825 0.333
O 0.500 0.500 0.000
O 0.650 0.825 0.333
O -0.000 0.500 0.000
O 0.350 0.175 0.667 |
Below is a description of a material. | The chemical formula is: AsBr.
The XRD pattern shows main peaks at: 8.4°(0.59), 11.9°(1.0), 14.6°(0.79), 16.9°(0.5), 18.9°(0.44), 24.0°(0.21), 25.5°(0.21), 26.9°(0.33), 28.2°(0.33), 34.2°(0.08), 35.3°(0.1), 36.0°(0.13), 37.3°(0.12), 38.4°(0.12), 39.4°(0.13), 42.0°(0.09), 43.8°(0.17), 44.9°(0.08), 51.2°(0.08), 52.1°(0.0... | JVASP-121274 | 7.41 7.41 10.58
90 90 90
As 0.000 0.000 0.884
Br 0.000 0.000 0.116 |
Below is a description of a material. | The chemical formula is: NdS2.
The XRD pattern shows main peaks at: 19.4°(0.42), 31.9°(0.9), 37.6°(1.0), 56.8°(0.33), 60.6°(0.31), 66.7°(0.2).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-14945 | 5.61 5.61 5.61
60 60 60
Nd 0.125 0.125 0.125
Nd 0.875 0.875 0.875
S 0.500 0.000 0.500
S 0.000 0.500 0.500
S 0.500 0.500 0.500
S 0.500 0.500 -0.000 |
Below is a description of a material. | The chemical formula is: VTc2W.
The XRD pattern shows main peaks at: 14.3°(0.17), 32.6°(0.15), 41.5°(1.0), 44.2°(0.05), 60.3°(0.12), 75.8°(0.26).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-190882 | 3.07 3.07 6.18
90 90 90
Tc 0.000 0.000 0.760
Tc -0.000 -0.000 0.240
W 0.500 0.500 0.500
V 0.500 0.500 -0.000 |
Below is a description of a material. | The chemical formula is: TiMo2W.
The XRD pattern shows main peaks at: 24.4°(0.25), 40.4°(1.0), 47.7°(0.13), 58.4°(0.17), 73.4°(0.35), 87.3°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-102293 | 4.47 4.47 4.47
60 60 60
Ti 0.500 0.500 0.500
Mo 0.250 0.250 0.250
Mo 0.750 0.750 0.750
W 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: NbC.
The XRD pattern shows main peaks at: 31.8°(0.9), 45.6°(1.0), 56.7°(0.24), 66.5°(0.15), 75.6°(0.3), 84.4°(0.29).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-36334 | 2.81 2.81 2.81
90 90 90
Nb 0.000 0.000 0.000
C 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Pr3Al.
The XRD pattern shows main peaks at: 8.2°(0.09), 16.5°(0.06), 24.9°(0.24), 28.9°(1.0), 32.4°(0.86), 33.4°(0.17), 37.5°(0.26), 43.8°(0.15), 48.9°(0.29), 51.1°(0.18), 55.6°(0.17), 57.8°(0.13), 59.8°(0.16), 60.5°(0.18), 79.0°(0.11), 80.8°(0.13).
Generate atomic structure description with la... | JVASP-123990 | 3.73 3.73 10.74
90 90 120
Pr 0.000 0.000 0.500
Pr 0.333 0.667 0.216
Pr 0.667 0.333 0.784
Al 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: ScTaOs2.
The XRD pattern shows main peaks at: 24.1°(0.12), 27.9°(0.08), 39.9°(1.0), 47.2°(0.07), 57.7°(0.16), 72.5°(0.36), 86.1°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-193727 | 4.52 4.52 4.52
60 60 60
Sc 0.000 -0.000 -0.000
Os 0.250 0.250 0.250
Os 0.750 0.750 0.750
Ta 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: BeCd4Os.
The XRD pattern shows main peaks at: 20.0°(0.34), 23.1°(0.21), 33.0°(0.19), 38.8°(1.0), 40.7°(0.48), 47.3°(0.07), 51.8°(0.07), 53.3°(0.1), 58.8°(0.08), 62.8°(0.36), 69.1°(0.28), 72.8°(0.05), 82.2°(0.12), 83.4°(0.19).
Generate atomic structure description with lattice lengths, angles, c... | JVASP-67660 | 5.44 5.44 5.44
60 60 60
Be 0.000 0.000 0.000
Cd 0.126 0.625 0.625
Cd 0.625 0.625 0.625
Cd 0.625 0.126 0.625
Cd 0.625 0.625 0.126
Os 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: Te2Mo3S4.
The XRD pattern shows main peaks at: 3.0°(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-28561 | 3.31 3.31 29.10
90 90 119
Te 0.333 0.666 0.413
Te 0.333 0.666 0.281
Mo 0.333 0.667 0.115
Mo 0.333 0.667 0.579
Mo 0.667 0.333 0.347
S 0.667 0.333 0.062
S 0.667 0.333 0.526
S 0.667 0.333 0.168
S 0.667 0.333 0.631 |
Below is a description of a material. | The chemical formula is: Cu2As.
The XRD pattern shows main peaks at: 14.9°(0.09), 30.0°(0.06), 33.0°(0.19), 36.4°(0.59), 45.2°(1.0), 45.7°(0.2), 47.4°(0.53), 67.9°(0.22), 69.3°(0.15), 80.8°(0.09), 81.9°(0.08), 86.6°(0.27).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-15811 | 3.84 3.84 5.96
90 90 90
Cu 0.000 0.000 0.000
Cu 0.500 0.500 0.000
Cu 0.000 0.500 0.299
Cu 0.500 0.000 0.701
As 0.000 0.500 0.711
As 0.500 0.000 0.289 |
Below is a description of a material. | The chemical formula is: Rb2Te.
The XRD pattern shows main peaks at: 19.0°(0.14), 20.0°(0.11), 24.9°(0.51), 25.7°(0.42), 26.3°(0.18), 27.0°(1.0), 29.2°(0.67), 31.0°(0.26), 31.7°(0.11), 32.2°(0.51), 32.6°(0.14), 34.4°(0.33), 35.3°(0.17), 35.7°(0.22), 42.1°(0.11), 46.5°(0.1), 47.9°(0.28), 54.3°(0.24), 54.9°(0.21), 55.6°(... | JVASP-86152 | 5.55 8.89 10.98
90 90 90
Rb 0.250 0.031 0.179
Rb 0.750 0.969 0.821
Rb 0.750 0.347 0.071
Rb 0.250 0.153 0.571
Rb 0.250 0.653 0.929
Rb 0.250 0.531 0.321
Rb 0.750 0.847 0.429
Rb 0.750 0.469 0.679
Te 0.250 0.247 0.885
Te 0.750 0.253 0.385
Te 0.250 0.747 0.615
Te 0.750 0.753 0.115 |
Below is a description of a material. | The chemical formula is: TbHg.
The XRD pattern shows main peaks at: 33.9°(0.74), 34.3°(1.0), 48.7°(0.23), 49.9°(0.12), 60.8°(0.3), 61.5°(0.13), 61.9°(0.13), 71.4°(0.08), 72.3°(0.08), 81.5°(0.16), 83.4°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-124393 | 5.21 3.74 3.66
90 134 90
Tb 0.000 0.000 0.000
Hg 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: YbCaPd.
The XRD pattern shows main peaks at: 22.3°(0.68), 25.8°(0.14), 36.7°(1.0), 43.4°(0.39), 52.9°(0.17), 58.1°(0.13), 66.2°(0.39), 78.2°(0.12), 89.6°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-158494 | 4.89 4.89 4.89
59 59 60
Yb 0.250 0.250 0.250
Ca 0.750 0.750 0.750
Pd 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: KBa4W.
The XRD pattern shows main peaks at: 15.2°(0.22), 17.6°(0.07), 25.0°(0.2), 29.3°(1.0), 30.7°(0.53), 35.6°(0.08), 39.9°(0.06), 43.9°(0.09), 46.8°(0.39), 51.2°(0.35), 53.7°(0.05), 60.1°(0.14), 60.9°(0.22), 71.8°(0.24), 75.3°(0.05), 82.8°(0.08).
Generate atomic structure description with la... | JVASP-64284 | 7.14 7.14 7.14
60 60 60
K 0.250 0.250 0.250
Ba 0.118 0.627 0.627
Ba 0.627 0.627 0.627
Ba 0.627 0.118 0.627
Ba 0.627 0.627 0.118
W 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Yb2AgAs.
The XRD pattern shows main peaks at: 25.0°(0.1), 35.6°(1.0), 51.3°(0.19), 64.0°(0.38), 75.5°(0.11), 86.4°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-157050 | 5.04 5.04 5.04
60 60 60
Yb 0.000 0.000 0.000
Yb 0.500 0.500 0.500
Ag 0.250 0.250 0.250
As 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: Pt3O.
The XRD pattern shows main peaks at: 23.0°(0.28), 32.7°(0.21), 40.4°(1.0), 47.0°(0.48), 52.9°(0.12), 58.4°(0.09), 68.6°(0.31), 73.4°(0.06), 82.8°(0.35), 87.3°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-128088 | 3.87 3.87 3.87
90 90 90
Pt 0.000 0.500 0.500
Pt 0.500 0.000 0.500
Pt 0.500 0.500 0.000
O 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Li3Ho.
The XRD pattern shows main peaks at: 15.9°(0.41), 23.8°(1.0), 27.7°(0.45), 32.1°(0.1), 35.7°(0.1), 36.9°(0.4), 39.3°(0.09), 42.9°(0.07), 45.8°(0.23), 46.7°(0.29), 49.0°(0.09), 57.3°(0.16), 62.1°(0.1), 62.9°(0.14), 64.9°(0.08), 69.3°(0.08), 71.9°(0.08), 76.9°(0.07), 89.5°(0.08).
Generate ... | JVASP-100195 | 6.43 6.43 5.03
90 90 120
Li 0.154 0.308 0.250
Li 0.692 0.846 0.250
Li 0.154 0.846 0.250
Li 0.846 0.692 0.750
Li 0.308 0.154 0.750
Li 0.846 0.154 0.750
Ho 0.333 0.667 0.750
Ho 0.667 0.333 0.250 |
Below is a description of a material. | The chemical formula is: Y3TlO.
The XRD pattern shows main peaks at: 18.6°(0.11), 26.4°(0.19), 32.5°(1.0), 37.7°(0.56), 42.4°(0.06), 46.7°(0.08), 54.4°(0.39), 64.9°(0.38), 68.1°(0.13), 80.6°(0.06), 89.6°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-193751 | 4.77 4.77 4.77
90 90 90
Y 0.500 0.000 0.500
Y 0.000 0.500 0.500
Y 0.500 0.500 0.000
Tl 0.000 0.000 0.000
O 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Li3MnCo4O8.
The XRD pattern shows main peaks at: 18.6°(0.9), 21.5°(0.14), 36.2°(0.24), 37.7°(0.28), 38.0°(0.29), 43.8°(1.0), 44.4°(0.48), 48.4°(0.09), 57.9°(0.07), 63.3°(0.14), 64.1°(0.6), 80.6°(0.1), 81.3°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates a... | JVASP-111947 | 5.80 5.80 5.88
59 59 60
Li 0.000 0.500 0.500
Li -0.000 0.000 0.500
Li 0.500 0.000 0.500
Mn 0.500 0.500 0.000
Co 0.500 0.500 0.500
Co 0.000 0.000 0.000
Co -0.000 0.500 0.000
Co 0.500 -0.000 0.000
O 0.738 0.738 0.766
O 0.740 0.267 0.762
O 0.267 0.740 0.762
O 0.252 0.252 0.754
O 0.748 0.748 0.246
O 0.733 0.260 0.238
O 0.2... |
Below is a description of a material. | The chemical formula is: SiOF.
The XRD pattern shows main peaks at: 11.5°(0.07), 23.1°(1.0), 26.9°(0.36), 33.8°(0.39), 34.3°(0.44), 40.0°(0.2), 47.3°(0.06), 48.3°(0.27), 49.7°(0.23), 55.5°(0.14), 61.8°(0.15), 64.1°(0.2), 65.7°(0.06), 67.3°(0.08), 71.8°(0.15), 88.1°(0.06).
Generate atomic structure description with latt... | JVASP-118308 | 3.67 2.78 7.69
90 90 90
Si 0.500 0.000 0.248
Si 0.000 0.500 0.752
O 0.000 0.000 0.872
O 0.500 0.500 0.128
F 0.500 0.500 0.686
F 0.000 0.000 0.314 |
Below is a description of a material. | The chemical formula is: PaHg.
The XRD pattern shows main peaks at: 33.8°(1.0), 37.9°(0.2), 39.9°(0.28), 56.2°(0.23), 57.7°(0.08), 65.8°(0.15), 68.6°(0.19), 71.1°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-124370 | 4.51 4.75 3.19
90 134 90
Pa 0.000 0.000 0.000
Hg 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: NaWCl2O2.
The XRD pattern shows main peaks at: 11.3°(1.0), 22.6°(0.28), 23.3°(0.4), 23.9°(0.69), 25.9°(0.37), 28.9°(0.14), 32.7°(0.09), 33.6°(0.46), 34.2°(0.22), 37.0°(0.15), 41.8°(0.23), 44.2°(0.19), 46.9°(0.17), 47.5°(0.2), 53.0°(0.12), 53.9°(0.15), 54.9°(0.1), 59.9°(0.15), 65.1°(0.12), 69.0°... | JVASP-102703 | 8.09 8.09 3.82
90 90 152
Na 0.717 0.283 0.500
W 0.997 0.003 0.000
Cl 0.158 0.842 0.000
Cl 0.843 0.157 0.000
O 0.500 0.500 0.000
O -0.001 0.001 0.500 |
Below is a description of a material. | The chemical formula is: HoRh2Pb.
The XRD pattern shows main peaks at: 26.6°(0.08), 37.9°(1.0), 54.7°(0.18), 68.5°(0.36), 81.0°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-101401 | 4.75 4.75 4.75
60 60 59
Ho 0.500 0.500 0.500
Rh 0.250 0.250 0.250
Rh 0.750 0.750 0.750
Pb 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Ho3Sc2S7.
The XRD pattern shows main peaks at: 14.9°(0.6), 24.6°(0.91), 25.1°(0.78), 25.8°(0.19), 26.9°(0.71), 29.0°(0.5), 32.6°(0.24), 33.0°(0.31), 34.2°(1.0), 35.4°(0.49), 39.9°(0.47), 41.0°(0.25), 43.1°(0.38), 44.8°(0.3), 45.2°(0.3), 46.8°(0.16), 48.6°(0.36), 49.0°(0.31), 49.4°(0.24), 55.6°(... | JVASP-176503 | 3.72 6.43 11.36
103 90 73
Ho 0.701 0.599 0.185
Ho 0.302 0.395 0.808
Ho 0.888 0.225 0.425
Sc 0.112 0.776 0.581
Sc 0.002 0.997 0.997
S 0.035 0.930 0.209
S 0.968 0.063 0.785
S 0.735 0.530 0.647
S 0.252 0.495 0.357
S 0.348 0.304 0.047
S 0.656 0.689 0.949
S 0.502 0.997 0.509 |
Below is a description of a material. | The chemical formula is: GaAsO.
The XRD pattern shows main peaks at: 25.5°(0.52), 31.0°(1.0), 40.6°(0.6), 44.4°(0.34), 51.9°(0.29), 52.4°(0.1), 62.1°(0.22), 64.7°(0.1), 70.7°(0.12), 71.1°(0.16), 73.4°(0.14), 79.2°(0.18), 87.8°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and at... | JVASP-139675 | 2.88 2.88 6.99
90 90 90
Ga 0.000 0.000 0.734
As 0.000 0.000 0.253
O 0.000 0.000 0.006 |
Below is a description of a material. | The chemical formula is: KMg3AlGe3O10F2.
The XRD pattern shows main peaks at: 8.6°(0.25), 17.3°(0.41), 19.1°(0.42), 19.7°(0.17), 22.2°(0.17), 23.8°(0.45), 25.7°(0.61), 26.0°(0.49), 27.8°(0.56), 30.0°(0.38), 32.4°(0.12), 33.1°(0.57), 33.5°(1.0), 35.0°(0.34), 36.2°(0.4), 39.0°(0.42), 44.1°(0.16), 51.2°(0.28), 53.6°(0.42)... | JVASP-119499 | 5.43 5.43 10.42
100 85 119
K 1.000 0.505 0.018
Mg 0.340 0.668 0.491
Mg 0.666 0.325 0.492
Mg 0.997 0.003 0.492
Al 0.667 0.907 0.224
Ge 0.334 0.239 0.219
Ge 0.331 0.090 0.774
Ge 0.665 0.756 0.775
O 0.998 0.034 0.843
O 0.999 0.961 0.162
O 0.667 0.700 0.604
O 0.331 0.036 0.604
O 0.335 0.299 0.395
O 0.408 0.554 0.162
O 0.58... |
Below is a description of a material. | The chemical formula is: BaC4O4.
The XRD pattern shows main peaks at: 14.1°(0.38), 19.8°(0.21), 24.3°(1.0), 28.1°(0.19), 31.5°(0.26), 34.8°(0.31), 40.4°(0.35), 42.7°(0.15), 45.1°(0.21), 47.5°(0.26), 52.3°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-13092 | 6.36 6.36 7.72
114 114 90
Ba 0.250 0.250 0.500
Ba 0.750 0.750 0.500
C 0.360 0.860 0.883
C 0.860 0.523 0.883
C 0.140 0.477 0.117
C 0.977 0.640 0.117
C 0.477 0.977 0.117
C 0.523 0.023 0.883
C 0.023 0.360 0.883
C 0.640 0.140 0.117
O 0.950 0.810 0.261
O 0.550 0.050 0.739
O 0.450 0.950 0.261
O 0.810 0.310 0.261
O 0.310 0.45... |
Below is a description of a material. | The chemical formula is: Ti2ReIr.
The XRD pattern shows main peaks at: 28.7°(0.44), 41.1°(1.0), 50.9°(0.14), 59.5°(0.17), 67.4°(0.18), 74.9°(0.31), 89.1°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-39689 | 4.39 4.39 4.39
60 60 60
Ti 0.000 0.000 0.000
Ti 0.500 0.500 0.500
Re 0.750 0.750 0.750
Ir 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: Ba2CdBi.
The XRD pattern shows main peaks at: 18.0°(0.05), 29.7°(1.0), 42.4°(0.19), 52.6°(0.43), 61.6°(0.13), 69.8°(0.19), 85.2°(0.22).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-69091 | 6.02 6.02 6.02
60 60 60
Ba 0.250 0.250 0.250
Ba 0.750 0.750 0.750
Cd 0.500 0.500 0.500
Bi 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Sr2YIrO6.
The XRD pattern shows main peaks at: 18.6°(0.16), 21.6°(0.17), 30.7°(1.0), 44.0°(0.37), 54.5°(0.37), 63.8°(0.09), 72.5°(0.1), 88.7°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-22217 | 5.81 5.85 10.04
90 124 90
Sr 0.742 0.965 0.749
Sr 0.258 0.465 0.751
Sr 0.258 0.035 0.251
Sr 0.742 0.535 0.249
Y 0.000 0.500 0.000
Y -0.000 0.000 0.500
Ir 0.500 0.000 -0.000
Ir 0.500 0.500 0.500
O 0.265 0.701 0.537
O 0.735 0.201 0.963
O 0.660 0.727 0.962
O 0.340 0.227 0.538
O 0.340 0.273 0.038
O 0.193 0.016 0.764
O 0.80... |
Below is a description of a material. | The chemical formula is: MnSi2Pd3.
The XRD pattern shows main peaks at: 15.6°(0.06), 27.3°(0.17), 29.9°(0.12), 37.5°(1.0), 40.9°(0.34), 42.2°(0.28), 48.0°(0.1), 49.9°(0.08), 51.9°(0.19), 69.1°(0.15), 73.4°(0.06), 78.4°(0.05), 88.4°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates a... | JVASP-121603 | 3.52 6.54 11.30
89 90 90
Mn 0.500 0.896 0.513
Mn 0.500 0.403 0.992
Mn 0.500 0.791 0.800
Si 0.500 0.995 0.000
Si 0.000 0.005 0.326
Si 0.500 0.488 0.501
Si 0.000 0.510 0.172
Si 0.000 0.998 0.672
Si 0.000 0.494 0.831
Pd 0.000 0.125 0.872
Pd 0.500 0.316 0.300
Pd 0.500 0.298 0.698
Pd 0.500 0.810 0.198
Pd 0.000 0.728 0.999
P... |
Below is a description of a material. | The chemical formula is: GaAgO2.
The XRD pattern shows main peaks at: 28.6°(0.68), 35.1°(0.93), 37.3°(1.0), 40.8°(0.23), 50.5°(0.31), 61.4°(0.34), 69.1°(0.32), 72.7°(0.1), 74.1°(0.13), 83.4°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-3144 | 3.02 3.02 12.48
90 90 119
Ga 0.000 0.000 0.000
Ga 0.000 0.000 0.500
Ag 0.333 0.667 0.250
Ag 0.667 0.333 0.750
O 0.667 0.333 0.581
O 0.333 0.667 0.081
O 0.667 0.333 0.919
O 0.333 0.667 0.419 |
Below is a description of a material. | The chemical formula is: MnCo2Ge.
The XRD pattern shows main peaks at: 44.7°(1.0), 65.1°(0.16), 82.4°(0.28).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-80738 | 4.05 4.05 4.05
60 60 60
Mn 0.750 0.750 0.750
Co 0.500 0.500 0.500
Co 0.000 0.000 0.000
Ge 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: Cd4Te5Pb.
The XRD pattern shows main peaks at: 22.6°(0.94), 23.2°(1.0), 37.0°(0.23), 37.9°(0.99), 38.4°(0.24), 44.1°(0.08), 45.1°(0.4), 55.0°(0.07), 60.4°(0.12), 60.9°(0.06), 69.1°(0.2).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-104969 | 12.83 12.83 12.83
158 149 37
Cd 0.395 0.394 0.001
Cd 0.785 0.793 0.992
Cd 0.198 0.207 0.992
Cd 0.607 0.606 0.001
Te 0.633 0.889 0.744
Te 0.038 0.301 0.738
Te 0.437 0.699 0.738
Te 0.855 0.111 0.744
Te 0.304 0.500 0.804
Pb 0.998 -0.000 0.998 |
Below is a description of a material. | The chemical formula is: Ge.
The XRD pattern shows main peaks at: 25.3°(0.08), 31.0°(1.0), 31.6°(0.35), 48.0°(0.38), 48.5°(0.33), 49.2°(0.23), 52.0°(0.3), 74.7°(0.07), 84.0°(0.09), 84.4°(0.1), 84.9°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-25141 | 6.13 6.13 6.13
109 109 109
Ge 0.285 0.285 0.285
Ge 0.715 0.715 0.715
Ge 0.469 0.972 0.277
Ge 0.277 0.469 0.972
Ge 0.972 0.277 0.469
Ge 0.531 0.028 0.723
Ge 0.723 0.531 0.028
Ge 0.028 0.723 0.531 |
Below is a description of a material. | The chemical formula is: YbCuS2.
The XRD pattern shows main peaks at: 16.3°(0.19), 24.3°(0.12), 24.7°(0.67), 26.2°(0.07), 30.1°(0.06), 30.9°(1.0), 34.3°(0.06), 39.1°(0.35), 40.4°(0.2), 40.8°(0.52), 46.4°(0.08), 47.8°(0.17), 51.5°(0.08), 52.6°(0.08), 54.5°(0.16), 59.3°(0.05), 64.3°(0.1), 78.3°(0.07), 84.2°(0.06).
Genera... | JVASP-153456 | 3.81 5.93 13.59
90 90 90
Yb 0.500 0.221 0.852
Yb -0.000 0.279 0.148
Yb 0.000 0.779 0.352
Yb 0.500 0.721 0.648
Cu -0.000 0.621 0.940
Cu 0.500 0.879 0.060
Cu 0.500 0.379 0.440
Cu 0.000 0.121 0.560
S -0.000 0.005 0.976
S 0.500 0.495 0.024
S 0.500 -0.005 0.476
S 0.000 0.505 0.524
S -0.000 0.531 0.779
S 0.500 -0.031 0.221
S... |
Below is a description of a material. | The chemical formula is: LaCeGe4Pt4.
The XRD pattern shows main peaks at: 17.9°(0.15), 26.9°(0.18), 28.0°(0.07), 28.7°(0.05), 29.4°(0.18), 30.0°(0.15), 33.4°(0.59), 33.9°(0.8), 40.5°(1.0), 46.4°(0.24), 47.1°(0.12), 50.2°(0.14), 53.3°(0.15), 53.9°(0.11), 54.4°(0.1), 57.9°(0.16), 59.4°(0.16), 66.3°(0.08), 69.7°(0.14), 87... | JVASP-178295 | 4.46 4.45 9.91
89 90 88
La 0.254 0.250 0.748
Ce 0.747 0.756 0.252
Ge 0.251 0.753 0.498
Ge 0.750 0.252 0.498
Ge 0.769 0.736 0.873
Ge 0.228 0.274 0.127
Pt 0.753 0.750 0.622
Pt 0.249 0.254 0.375
Pt 0.273 0.775 0.004
Pt 0.726 0.232 0.004 |
Below is a description of a material. | The chemical formula is: Zr3C2.
The XRD pattern shows main peaks at: 10.9°(0.06), 31.1°(0.28), 31.8°(0.16), 33.2°(0.48), 34.3°(1.0), 36.1°(0.97), 43.2°(0.32), 55.0°(0.43), 58.8°(0.3), 62.4°(0.1), 65.7°(0.36), 66.4°(0.15), 67.6°(0.14), 84.8°(0.1).
Generate atomic structure description with lattice lengths, angles, coord... | JVASP-189760 | 8.32 8.32 8.32
23 23 23
C 0.609 0.609 0.609
C 0.391 0.391 0.391
Zr -0.000 0.000 -0.000
Zr 0.226 0.226 0.226
Zr 0.774 0.774 0.774 |
Below is a description of a material. | The chemical formula is: Rb2TlAsI6.
The XRD pattern shows main peaks at: 14.6°(0.48), 25.4°(0.56), 29.4°(1.0), 32.9°(0.07), 42.0°(0.79), 49.7°(0.08), 52.1°(0.26), 60.9°(0.12), 69.0°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-107144 | 8.60 8.60 8.60
60 60 60
Rb 0.750 0.750 0.750
Rb 0.250 0.250 0.250
Tl 0.500 0.500 0.500
As 0.000 0.000 0.000
I 0.764 0.236 0.236
I 0.236 0.236 0.764
I 0.236 0.764 0.764
I 0.236 0.764 0.236
I 0.764 0.236 0.764
I 0.764 0.764 0.236 |
Below is a description of a material. | The chemical formula is: HfGa2Ir.
The XRD pattern shows main peaks at: 28.0°(0.23), 40.0°(1.0), 49.5°(0.06), 57.9°(0.15), 65.5°(0.09), 72.7°(0.31), 86.3°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-180941 | 4.51 4.51 4.51
60 60 60
Hf 0.500 0.500 0.500
Ga 0.250 0.250 0.250
Ga 0.750 0.750 0.750
Ir -0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: YHg.
The XRD pattern shows main peaks at: 23.9°(0.23), 24.4°(0.1), 34.3°(1.0), 42.3°(0.07), 48.9°(0.22), 49.9°(0.12), 55.2°(0.06), 61.1°(0.31), 71.7°(0.08), 72.4°(0.09), 81.8°(0.16), 83.5°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-124404 | 5.20 3.73 3.66
90 134 90
Y 0.000 0.000 0.000
Hg 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: ZnSnRh2.
The XRD pattern shows main peaks at: 40.7°(1.0), 58.9°(0.17), 74.0°(0.32), 88.1°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-110061 | 4.44 4.44 4.44
60 60 60
Zn 0.000 0.000 0.000
Sn 0.500 0.500 0.500
Rh 0.250 0.250 0.250
Rh 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: LuHO2.
The XRD pattern shows main peaks at: 16.2°(0.37), 22.3°(0.28), 22.8°(0.49), 30.2°(1.0), 31.8°(0.55), 32.9°(0.34), 33.9°(0.4), 34.3°(0.57), 41.8°(0.37), 42.7°(0.23), 49.9°(0.12), 51.9°(0.19), 52.7°(0.21), 53.2°(0.31), 53.7°(0.31), 54.4°(0.22), 62.2°(0.21), 62.8°(0.14), 69.4°(0.11), 88.1°(... | JVASP-54687 | 4.23 3.52 5.81
90 109 90
Lu 0.667 0.710 0.811
Lu 0.333 0.210 0.189
H 0.012 0.696 0.418
H 0.988 0.196 0.582
O 0.232 0.710 0.945
O 0.768 0.210 0.055
O 0.249 0.712 0.438
O 0.751 0.212 0.562 |
Below is a description of a material. | The chemical formula is: SmHf.
The XRD pattern shows main peaks at: 30.8°(0.24), 32.8°(0.26), 35.0°(1.0), 45.6°(0.16), 54.8°(0.18), 60.0°(0.2), 65.3°(0.21), 66.7°(0.15), 85.6°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-105250 | 3.35 3.35 5.46
90 90 120
Sm 0.333 0.667 0.000
Hf 0.667 0.333 0.500 |
Below is a description of a material. | The chemical formula is: TaV.
The XRD pattern shows main peaks at: 20.7°(0.41), 34.0°(0.23), 38.9°(0.25), 40.1°(1.0), 42.1°(0.21), 44.5°(0.12), 55.2°(0.13), 57.3°(0.08), 58.7°(0.16), 71.3°(0.19), 73.7°(0.08), 75.6°(0.15), 86.6°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and a... | JVASP-102673 | 2.82 2.82 4.29
90 90 110
Ta 0.000 0.000 0.000
V 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Ti3CdH.
The XRD pattern shows main peaks at: 21.4°(0.2), 30.5°(0.2), 37.6°(1.0), 43.7°(0.47), 49.1°(0.09), 54.2°(0.08), 63.5°(0.28), 76.2°(0.3), 80.2°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-193809 | 4.15 4.15 4.15
90 90 90
H 0.000 0.000 0.000
Ti 0.000 0.500 0.000
Ti 0.000 0.000 0.500
Ti 0.500 0.000 0.000
Cd 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: PrAlPt.
The XRD pattern shows main peaks at: 25.8°(0.7), 27.1°(0.11), 32.6°(0.49), 33.7°(1.0), 36.3°(0.1), 39.0°(0.16), 39.7°(0.29), 40.0°(0.35), 41.7°(0.12), 44.0°(0.21), 46.0°(0.07), 47.2°(0.1), 48.2°(0.13), 53.2°(0.08), 54.6°(0.12), 57.1°(0.11), 60.9°(0.13), 64.4°(0.14), 68.7°(0.12), 72.5°(0... | JVASP-86882 | 4.51 7.25 7.89
90 90 90
Pr 0.250 0.528 0.182
Pr 0.250 0.028 0.318
Pr 0.750 0.972 0.682
Pr 0.750 0.472 0.818
Al 0.250 0.147 0.931
Al 0.750 0.353 0.431
Al 0.250 0.647 0.569
Al 0.750 0.853 0.069
Pt 0.250 0.787 0.891
Pt 0.250 0.287 0.609
Pt 0.750 0.713 0.391
Pt 0.750 0.213 0.109 |
Below is a description of a material. | The chemical formula is: LaPmRu2.
The XRD pattern shows main peaks at: 36.1°(1.0), 52.0°(0.17), 64.9°(0.35), 76.6°(0.11), 87.7°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-109976 | 4.98 4.98 4.98
60 60 60
La 0.500 0.500 0.500
Pm 0.000 0.000 0.000
Ru 0.250 0.250 0.250
Ru 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: Pa3W.
The XRD pattern shows main peaks at: 34.6°(1.0), 35.3°(0.26), 42.4°(0.29), 56.3°(0.26), 61.4°(0.1), 62.8°(0.19), 72.4°(0.25), 72.9°(0.13), 89.7°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-37728 | 5.92 5.92 5.92
137 137 61
Pa 0.750 0.250 0.500
Pa 0.250 0.750 0.500
Pa 0.500 0.500 0.000
W 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Li2SbAu.
The XRD pattern shows main peaks at: 23.3°(1.0), 27.0°(0.07), 38.6°(0.99), 45.6°(0.58), 55.7°(0.17), 61.2°(0.22), 69.8°(0.34), 74.8°(0.14), 82.7°(0.07), 87.4°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-18616 | 4.67 4.67 4.67
60 60 60
Li 0.250 0.250 0.250
Li 0.500 0.500 0.500
Sb 0.000 0.000 0.000
Au 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: ZnGaO4.
The XRD pattern shows main peaks at: 27.5°(1.0), 35.3°(0.68), 39.3°(0.16), 40.6°(0.09), 53.8°(0.6), 56.8°(0.14), 60.6°(0.08), 64.3°(0.1), 67.8°(0.14), 68.7°(0.21), 74.6°(0.06), 82.1°(0.07), 87.8°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and ... | JVASP-139006 | 4.58 4.58 3.06
90 90 89
Zn 0.000 0.000 0.000
Ga 0.500 0.500 0.500
O 0.196 0.196 0.500
O 0.690 0.310 0.000
O 0.310 0.690 0.000
O 0.804 0.804 0.500 |
Below is a description of a material. | The chemical formula is: NbAlNi2.
The XRD pattern shows main peaks at: 25.7°(0.19), 42.6°(1.0), 61.8°(0.15), 78.0°(0.3).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-15451 | 4.24 4.24 4.24
60 60 60
Nb 0.500 0.500 0.500
Al 0.000 0.000 0.000
Ni 0.250 0.250 0.250
Ni 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: B2CN.
The XRD pattern shows main peaks at: 20.2°(0.05), 41.1°(0.28), 42.6°(1.0), 71.0°(0.23), 73.1°(0.22), 85.5°(0.11), 87.5°(0.11), 88.5°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-36194 | 4.64 4.64 4.64
32 32 32
B 0.224 0.224 0.224
B 0.732 0.732 0.732
C 0.345 0.345 0.345
N 0.848 0.848 0.848 |
Below is a description of a material. | The chemical formula is: BaIO.
The XRD pattern shows main peaks at: 17.9°(1.0), 23.7°(0.38), 25.1°(0.38), 29.9°(0.46), 31.0°(0.41), 32.0°(0.22), 36.4°(0.17), 37.0°(0.3), 37.4°(0.15), 41.8°(0.24), 43.9°(0.16), 44.7°(0.16), 49.2°(0.13), 51.6°(0.1), 52.2°(0.11), 53.2°(0.12), 55.1°(0.15), 57.2°(0.07), 62.2°(0.14), 64.7°(0.... | JVASP-114046 | 7.17 5.60 4.94
90 90 137
Ba 0.327 0.114 0.000
I 0.849 0.181 0.000
O 0.823 0.704 0.000 |
Below is a description of a material. | The chemical formula is: CaCr2N2.
The XRD pattern shows main peaks at: 28.0°(0.21), 30.6°(1.0), 37.2°(0.22), 37.5°(0.27), 39.9°(0.27), 47.2°(0.1), 55.7°(0.3), 57.8°(0.17), 58.6°(0.18), 66.8°(0.17), 70.8°(0.12), 86.9°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-8379 | 3.19 3.19 7.25
90 90 90
Ca 0.000 0.000 0.750
Cr 0.500 0.500 0.098
Cr 0.500 0.500 0.402
N 0.000 0.500 0.521
N 0.500 0.000 0.979 |
Below is a description of a material. | The chemical formula is: ScH.
The XRD pattern shows main peaks at: 32.9°(1.0), 38.0°(0.31), 38.6°(0.14), 54.8°(0.11), 55.3°(0.19), 65.4°(0.22), 66.2°(0.1), 69.0°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-191342 | 3.35 3.35 4.67
90 90 90
Sc 0.000 0.500 0.250
Sc 0.500 0.000 0.750
H 0.000 -0.000 0.500
H 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: CoGeAs2.
The XRD pattern shows main peaks at: 28.0°(1.0), 46.4°(0.49), 54.8°(0.14), 55.3°(0.25), 68.1°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-105094 | 6.79 6.79 6.79
132 132 69
Co 0.500 0.500 0.000
Co 0.250 0.750 0.500
Ge 0.000 0.000 0.000
Ge 0.750 0.250 0.500
As 0.875 0.418 0.043
As 0.168 0.125 0.543
As 0.375 0.832 0.957
As 0.582 0.625 0.457 |
Below is a description of a material. | The chemical formula is: ErSF.
The XRD pattern shows main peaks at: 26.3°(0.31), 27.3°(1.0), 34.0°(0.49), 35.8°(0.16), 43.5°(0.48), 47.0°(0.33), 48.8°(0.26), 56.3°(0.16), 56.8°(0.28), 59.9°(0.07), 62.0°(0.06), 70.1°(0.2), 71.5°(0.08), 74.4°(0.08), 77.7°(0.06), 80.8°(0.06), 81.6°(0.08), 87.5°(0.13).
Generate atomic stru... | JVASP-7684 | 3.73 3.73 6.78
90 90 90
Er 0.500 0.000 0.773
Er 0.000 0.500 0.227
S 0.000 0.500 0.644
S 0.500 0.000 0.356
F 0.000 0.000 0.000
F 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: Ba3Zr2S7.
The XRD pattern shows main peaks at: 6.9°(0.06), 13.7°(0.07), 24.8°(1.0), 25.1°(0.76), 32.8°(0.36), 34.8°(0.23), 35.8°(0.64), 43.4°(0.13), 44.1°(0.41), 50.8°(0.14), 51.6°(0.22), 58.2°(0.15), 63.7°(0.1), 75.9°(0.06).
Generate atomic structure description with lattice lengths, angles, c... | JVASP-95276 | 5.01 5.01 13.36
100 100 90
Ba 0.819 0.819 0.638
Ba 0.181 0.181 0.362
Ba 0.000 0.000 0.000
Zr 0.600 0.600 0.200
Zr 0.400 0.400 0.800
S 0.500 0.500 0.000
S 0.698 0.698 0.397
S 0.302 0.302 0.603
S 0.596 0.096 0.192
S 0.096 0.596 0.192
S 0.904 0.404 0.808
S 0.404 0.904 0.808 |
Below is a description of a material. | The chemical formula is: TmTc2.
The XRD pattern shows main peaks at: 33.6°(0.45), 36.3°(0.87), 39.0°(0.13), 39.6°(1.0), 40.4°(0.71), 41.1°(0.13), 60.2°(0.09), 61.9°(0.34), 64.2°(0.23), 66.9°(0.29), 70.7°(0.26), 82.2°(0.17), 85.2°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-118963 | 5.33 5.33 8.78
90 90 120
Tm 0.333 0.667 0.437
Tm 0.667 0.333 0.563
Tm 0.667 0.333 0.937
Tm 0.333 0.667 0.063
Tc 0.000 0.000 0.500
Tc 0.000 0.000 0.000
Tc 0.828 0.172 0.250
Tc 0.828 0.657 0.250
Tc 0.343 0.172 0.250
Tc 0.172 0.828 0.750
Tc 0.172 0.343 0.750
Tc 0.657 0.828 0.750 |
Below is a description of a material. | The chemical formula is: SnTe2Pd6.
The XRD pattern shows main peaks at: 8.5°(0.33), 17.0°(0.07), 22.2°(0.08), 25.3°(0.12), 32.1°(0.09), 35.5°(0.57), 40.6°(1.0), 43.3°(0.19), 44.3°(0.54), 64.5°(0.16), 79.0°(0.3).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-101696 | 10.84 10.84 10.84
158 158 30
Sn 1.000 1.000 0.000
Te 0.678 0.678 0.000
Te 0.316 0.316 -0.000
Pd 0.906 0.406 0.500
Pd 0.406 0.906 0.500
Pd 0.096 0.596 0.500
Pd 0.596 0.096 0.500
Pd 0.501 0.501 -0.000
Pd 0.803 0.803 -0.000 |
Below is a description of a material. | The chemical formula is: MgTe2H.
The XRD pattern shows main peaks at: 23.2°(0.36), 27.8°(1.0), 34.5°(0.1), 35.9°(0.37), 43.2°(0.28), 43.6°(0.33), 51.7°(0.13), 57.4°(0.12), 59.7°(0.24), 60.8°(0.08), 69.9°(0.17), 87.2°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-139079 | 3.54 3.54 7.68
90 90 90
Mg 0.000 0.000 0.494
Te 0.000 0.000 0.855
Te 0.500 0.500 0.306
H 0.500 0.500 0.845 |
Below is a description of a material. | The chemical formula is: LaAlCu4.
The XRD pattern shows main peaks at: 21.3°(0.18), 29.0°(0.26), 29.3°(0.44), 33.7°(0.12), 34.7°(0.58), 39.5°(0.35), 40.2°(0.89), 41.0°(1.0), 43.3°(0.49), 56.6°(0.26), 58.5°(0.12), 60.1°(0.2), 60.9°(0.18), 65.3°(0.24), 67.1°(0.18), 73.2°(0.19), 77.4°(0.12), 77.9°(0.17), 86.9°(0.12), 89.0... | JVASP-102729 | 5.18 5.18 4.18
90 90 118
La 0.500 0.500 0.000
Al 0.000 0.000 0.500
Cu 0.165 0.835 0.000
Cu 0.835 0.165 0.000
Cu -0.000 0.500 0.500
Cu 0.500 -0.000 0.500 |
Below is a description of a material. | The chemical formula is: PrZn2.
The XRD pattern shows main peaks at: 22.6°(0.13), 32.9°(1.0), 33.6°(0.36), 37.9°(0.16), 39.0°(0.29), 40.8°(0.38), 48.5°(0.06), 52.5°(0.19), 54.2°(0.12), 55.5°(0.11), 62.6°(0.06), 65.0°(0.17), 66.9°(0.14), 68.9°(0.06), 70.5°(0.09), 71.9°(0.07), 76.3°(0.06).
Generate atomic structure descr... | JVASP-93350 | 4.62 5.81 5.81
81 66 66
Pr 0.750 0.713 0.787
Pr 0.250 0.287 0.213
Zn 0.554 0.281 0.611
Zn 0.446 0.719 0.389
Zn 0.054 0.111 0.781
Zn 0.946 0.889 0.219 |
Below is a description of a material. | The chemical formula is: YB2Ir3.
The XRD pattern shows main peaks at: 18.8°(0.14), 28.1°(0.34), 34.0°(0.46), 38.0°(1.0), 43.7°(0.27), 48.0°(0.59), 58.2°(0.11), 59.3°(0.2), 66.2°(0.08), 68.7°(0.2), 71.7°(0.3), 75.8°(0.14), 81.3°(0.11), 88.1°(0.11).
Generate atomic structure description with lattice lengths, angles, coor... | JVASP-93949 | 3.17 5.46 5.46
59 89 89
Y 0.500 0.500 0.000
B 0.500 0.167 0.667
B 0.500 0.833 0.333
Ir 0.000 0.000 0.000
Ir -0.000 0.500 0.500
Ir -0.000 0.000 0.500 |
Below is a description of a material. | The chemical formula is: SmZnAg2.
The XRD pattern shows main peaks at: 22.3°(0.08), 36.8°(1.0), 53.0°(0.17), 66.2°(0.37), 78.2°(0.11), 89.7°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-37265 | 4.89 4.89 4.89
60 60 60
Sm 0.250 0.250 0.250
Zn 0.750 0.750 0.750
Ag 0.500 0.500 0.500
Ag 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Ca4Tl2CO9.
The XRD pattern shows main peaks at: 9.7°(1.0), 19.4°(0.15), 26.1°(0.15), 27.9°(0.53), 29.3°(0.16), 32.7°(0.47), 37.0°(0.18), 37.5°(0.17), 38.3°(0.12), 38.8°(0.13), 39.4°(0.15), 47.9°(0.1), 48.3°(0.1), 53.7°(0.12), 55.2°(0.08).
Generate atomic structure description with lattice lengt... | JVASP-141463 | 9.76 9.76 9.76
151 151 40
Ca 0.608 0.095 0.488
Ca 0.108 0.580 0.471
Ca 0.392 0.880 0.488
Ca 0.892 0.363 0.471
Tl 0.254 0.239 0.985
Tl 0.746 0.730 0.985
C -0.000 0.992 0.992
O 0.627 0.614 0.987
O 0.373 0.360 0.987
O 0.137 0.116 0.979
O 0.863 0.842 0.979
O 0.750 0.234 0.484
O 0.250 0.734 0.484
O 0.770 0.129 0.900
O 0.230... |
Below is a description of a material. | The chemical formula is: NdN.
The XRD pattern shows main peaks at: 28.5°(0.81), 40.8°(1.0), 50.6°(0.24), 59.1°(0.16), 66.9°(0.34), 74.3°(0.33), 88.4°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-36331 | 3.13 3.13 3.13
90 90 90
Nd 0.000 0.000 0.000
N 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Er3P.
The XRD pattern shows main peaks at: 29.2°(1.0), 29.7°(0.29), 34.0°(0.87), 48.5°(0.3), 49.2°(0.29), 58.0°(0.27), 58.5°(0.12), 60.6°(0.17), 71.6°(0.09), 78.6°(0.12), 79.4°(0.06), 81.2°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-123229 | 3.75 3.75 9.02
90 90 120
Er 0.333 0.667 0.181
Er 0.000 0.000 0.500
Er 0.667 0.333 0.819
P 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: TbMo2Os2.
The XRD pattern shows main peaks at: 22.2°(0.18), 29.1°(0.44), 33.1°(1.0), 33.9°(0.66), 41.6°(0.75), 45.8°(0.37), 48.6°(0.34), 54.2°(0.5), 60.4°(0.25), 61.5°(0.1), 65.8°(0.27), 68.4°(0.09), 70.6°(0.11), 71.1°(0.16), 72.8°(0.08), 78.9°(0.16), 80.2°(0.05), 81.0°(0.09), 85.4°(0.14), 87.5... | JVASP-156050 | 6.04 6.04 6.04
137 137 61
Tb 0.000 0.000 0.000
Mo 0.750 0.250 0.500
Mo 0.250 0.750 0.500
Os 0.376 0.376 0.000
Os 0.624 0.624 -0.000 |
Below is a description of a material. | The chemical formula is: Na2SO4.
The XRD pattern shows main peaks at: 21.8°(0.09), 23.5°(0.22), 30.3°(0.52), 36.4°(1.0), 39.2°(0.14), 42.3°(0.11), 42.8°(0.37), 43.8°(0.65), 44.4°(0.3), 48.0°(0.28), 49.9°(0.1), 54.6°(0.31), 58.7°(0.18), 61.7°(0.17), 65.5°(0.14), 77.3°(0.21).
Generate atomic structure description with la... | JVASP-13772 | 4.94 4.94 8.17
90 90 119
Na 0.000 0.000 0.000
Na 0.000 0.000 0.500
Na 0.667 0.333 0.959
Na 0.333 0.667 0.041
S 0.333 0.667 0.716
S 0.667 0.333 0.284
O 0.691 0.845 0.230
O 0.155 0.309 0.230
O 0.155 0.845 0.230
O 0.845 0.155 0.770
O 0.845 0.691 0.770
O 0.309 0.155 0.770
O 0.333 0.667 0.540
O 0.667 0.333 0.460 |
Below is a description of a material. | The chemical formula is: BeReNi4.
The XRD pattern shows main peaks at: 23.7°(0.35), 27.4°(0.39), 39.1°(0.35), 46.2°(1.0), 48.4°(0.35), 62.1°(0.08), 63.9°(0.15), 70.9°(0.12), 75.9°(0.31), 84.1°(0.2), 88.9°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-67828 | 4.61 4.61 4.61
60 60 60
Be 0.000 0.000 0.000
Re 0.250 0.250 0.250
Ni 0.125 0.625 0.625
Ni 0.625 0.625 0.625
Ni 0.625 0.125 0.625
Ni 0.625 0.625 0.125 |
Below is a description of a material. | The chemical formula is: CrPt.
The XRD pattern shows main peaks at: 23.2°(0.32), 33.6°(0.27), 41.2°(1.0), 47.3°(0.16), 48.2°(0.32), 54.1°(0.14), 59.3°(0.12), 69.9°(0.2), 70.6°(0.09), 75.4°(0.06), 83.8°(0.13), 85.1°(0.25), 89.4°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and a... | JVASP-109110 | 2.67 2.67 3.84
90 90 90
Cr 0.000 0.000 0.000
Pt 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Pr3Ni4Ge4.
The XRD pattern shows main peaks at: 24.1°(0.07), 31.2°(0.12), 33.8°(1.0), 40.0°(0.17), 43.3°(0.23), 46.8°(0.06), 56.2°(0.16), 60.4°(0.08), 63.1°(0.13), 73.3°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-164900 | 4.18 4.16 12.41
99 99 90
Pr -0.000 0.000 0.000
Pr 0.852 0.352 0.704
Pr 0.148 0.648 0.296
Ni 0.550 0.550 0.099
Ni 0.450 0.450 0.901
Ni 0.699 0.199 0.398
Ni 0.301 0.801 0.602
Ge 0.250 0.250 0.500
Ge 0.600 0.100 0.199
Ge 0.400 0.900 0.801
Ge 0.750 0.750 0.500 |
Below is a description of a material. | The chemical formula is: Ho6MnTe2.
The XRD pattern shows main peaks at: 31.2°(1.0), 33.3°(0.57), 33.7°(0.5), 38.0°(0.26), 40.4°(0.28), 45.3°(0.19), 51.7°(0.15), 57.4°(0.27), 60.5°(0.12), 61.4°(0.21), 64.4°(0.16), 74.8°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types... | JVASP-150489 | 8.21 8.21 4.00
90 90 119
Ho 0.609 0.000 0.500
Ho 0.000 0.609 0.500
Ho 0.391 0.391 0.500
Ho 0.234 0.000 0.000
Ho 0.000 0.234 0.000
Ho 0.766 0.766 0.000
Mn 1.000 1.000 0.500
Te 0.333 0.667 0.000
Te 0.667 0.333 0.000 |
Below is a description of a material. | The chemical formula is: Li8Au.
The XRD pattern shows main peaks at: 4.1°(1.0), 8.2°(0.24), 12.3°(0.11), 16.4°(0.05), 34.4°(0.05), 35.2°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-130655 | 3.03 3.03 21.59
90 90 120
Li 0.000 0.000 0.205
Li 0.000 0.000 0.017
Li 0.333 0.667 0.438
Li 0.667 0.333 0.553
Li 0.667 0.333 0.322
Li 0.000 0.000 0.785
Li 0.333 0.667 0.900
Li 0.333 0.667 0.669
Au 0.667 0.333 0.111 |
Below is a description of a material. | The chemical formula is: YbB6.
The XRD pattern shows main peaks at: 21.6°(0.72), 30.7°(1.0), 37.9°(0.38), 44.0°(0.21), 49.5°(0.51), 54.6°(0.3), 64.0°(0.1), 68.4°(0.26), 72.6°(0.19), 76.8°(0.13), 84.9°(0.09), 89.0°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-14705 | 4.12 4.12 4.12
90 90 90
Yb 0.000 0.000 0.000
B 0.799 0.500 0.500
B 0.201 0.500 0.500
B 0.500 0.500 0.799
B 0.500 0.500 0.201
B 0.500 0.201 0.500
B 0.500 0.799 0.500 |
Below is a description of a material. | The chemical formula is: Mg4RuN4.
The XRD pattern shows main peaks at: 18.1°(0.31), 18.6°(0.1), 20.5°(0.44), 21.4°(0.49), 23.0°(0.19), 24.0°(0.1), 25.1°(0.26), 25.6°(0.13), 27.7°(0.12), 29.2°(0.23), 34.1°(0.3), 35.3°(0.59), 36.8°(0.31), 39.4°(0.07), 41.1°(1.0), 57.7°(0.28), 59.3°(0.16), 59.8°(0.11), 61.2°(0.15), 61.6°(... | JVASP-144207 | 5.39 5.41 8.38
67 80 70
Mg 0.734 0.628 0.211
Mg 0.266 0.372 0.789
Mg 0.733 0.265 1.000
Mg 0.267 0.735 0.000
Mg 0.737 0.468 0.585
Mg 0.263 0.532 0.415
Mg 0.253 0.936 0.591
Mg 0.747 0.064 0.409
Ru 0.255 0.147 0.223
Ru 0.745 0.853 0.777
N 0.990 0.680 0.614
N 0.010 0.320 0.386
N 0.850 0.863 0.969
N 0.150 0.137 0.031
N 0.50... |
Below is a description of a material. | The chemical formula is: H.
The XRD pattern shows main peaks at: 33.6°(1.0), 48.2°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-78576 | 0.99 2.67 2.67
90 90 90
H 0.500 0.000 0.000 |
Below is a description of a material. | The chemical formula is: ZrVCo.
The XRD pattern shows main peaks at: 35.1°(0.2), 36.5°(0.44), 38.3°(0.68), 38.7°(0.37), 41.4°(0.56), 42.7°(1.0), 43.2°(0.16), 44.4°(0.19), 48.3°(0.09), 63.9°(0.07), 65.1°(0.12), 66.6°(0.13), 67.5°(0.11), 68.2°(0.19), 70.9°(0.26), 72.1°(0.09), 74.3°(0.1), 77.6°(0.17), 87.1°(0.06).
Generat... | JVASP-143757 | 4.93 4.93 8.37
90 90 117
Zr 0.673 0.327 0.319
Zr 0.337 0.663 0.198
Zr 0.337 0.663 0.802
Zr 0.673 0.327 0.681
V 0.150 0.850 0.500
V 0.341 0.164 0.000
V 0.836 0.659 0.000
V 0.831 0.169 0.000
Co 0.005 0.995 0.254
Co 0.005 0.995 0.746
Co 0.652 0.838 0.500
Co 0.162 0.348 0.500 |
Below is a description of a material. | The chemical formula is: LaNdCuO4.
The XRD pattern shows main peaks at: 23.4°(0.18), 31.1°(1.0), 31.7°(0.34), 43.3°(0.18), 45.5°(0.28), 55.0°(0.15), 56.2°(0.35), 56.8°(0.07), 64.9°(0.09), 66.3°(0.08), 75.0°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-101175 | 6.82 6.82 6.82
146 146 48
La 0.350 0.350 -0.000
Nd 0.648 0.648 0.000
Cu 0.003 0.003 0.000
O 0.747 0.247 0.500
O 0.247 0.747 0.500
O 0.002 0.502 0.500
O 0.502 0.002 0.500 |
Below is a description of a material. | The chemical formula is: LiScVO4.
The XRD pattern shows main peaks at: 17.6°(1.0), 18.5°(0.49), 34.2°(0.21), 34.7°(0.1), 35.1°(0.1), 35.7°(0.22), 42.5°(0.71), 45.9°(0.06), 55.3°(0.13), 55.9°(0.06), 57.0°(0.06), 59.1°(0.09), 61.6°(0.32), 64.1°(0.08), 75.4°(0.07), 79.9°(0.06).
Generate atomic structure description with l... | JVASP-42636 | 6.03 6.03 6.03
62 89 122
Li 0.118 0.250 0.132
Li 0.882 0.750 0.868
Sc 0.500 -0.000 -0.000
Sc 0.500 0.500 0.500
V 0.500 -0.000 0.500
V -0.000 0.500 0.500
O 0.286 0.012 0.726
O 0.239 0.512 0.274
O 0.254 0.535 0.712
O 0.254 0.965 0.281
O 0.746 0.035 0.719
O 0.746 0.465 0.288
O 0.761 0.488 0.726
O 0.714 0.988 0.274 |
Below is a description of a material. | The chemical formula is: NaAs.
The XRD pattern shows main peaks at: 19.8°(0.32), 29.6°(0.25), 35.9°(1.0), 40.1°(0.18), 42.4°(0.33), 47.2°(0.13), 50.7°(0.11), 59.8°(0.24), 61.5°(0.1), 65.2°(0.05), 70.2°(0.14), 73.2°(0.24), 76.0°(0.11), 83.6°(0.06).
Generate atomic structure description with lattice lengths, angles, coor... | JVASP-36329 | 3.02 3.02 4.49
90 90 90
Na 0.000 0.000 0.000
As 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: La3AlO.
The XRD pattern shows main peaks at: 17.6°(0.27), 25.0°(0.12), 30.8°(1.0), 35.7°(0.6), 40.1°(0.13), 44.1°(0.06), 51.4°(0.38), 54.7°(0.07), 61.1°(0.42), 64.1°(0.14), 75.6°(0.06), 83.8°(0.18), 86.5°(0.19).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-110101 | 5.03 5.03 5.03
90 90 90
La 0.500 0.000 0.000
La 0.000 0.500 0.000
La 0.000 0.000 0.500
Al 0.500 0.500 0.500
O 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Ca2AgPb.
The XRD pattern shows main peaks at: 20.4°(0.11), 23.6°(0.39), 33.6°(1.0), 39.6°(0.07), 41.4°(0.13), 48.2°(0.19), 54.3°(0.18), 60.0°(0.38), 70.5°(0.11), 75.5°(0.09), 80.4°(0.16), 85.2°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types... | JVASP-41232 | 5.34 5.34 5.34
60 60 60
Ca 0.500 0.500 0.500
Ca 0.000 0.000 0.000
Ag 0.250 0.250 0.250
Pb 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: SrInI.
The XRD pattern shows main peaks at: 22.8°(0.59), 29.4°(0.97), 37.5°(1.0), 46.5°(0.09), 52.2°(0.17), 56.0°(0.3), 57.6°(0.28), 61.0°(0.12), 66.0°(0.19), 72.4°(0.13), 80.1°(0.14), 88.8°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-118547 | 6.08 6.08 3.91
90 90 120
Sr 0.667 0.333 0.000
In 0.333 0.667 0.000
I 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: YCBr.
The XRD pattern shows main peaks at: 9.0°(0.26), 18.1°(0.26), 26.9°(0.13), 27.7°(0.38), 28.9°(0.88), 31.3°(1.0), 33.8°(0.38), 34.5°(0.29), 36.6°(0.24), 37.0°(0.4), 40.3°(0.21), 45.8°(0.42), 48.0°(0.34), 49.4°(0.16), 57.1°(0.24), 58.2°(0.1), 60.5°(0.12), 61.9°(0.15), 71.4°(0.1), 73.1°(0.13... | JVASP-12153 | 3.97 3.97 9.96
81 98 123
Y 0.590 0.410 0.851
Y 0.410 0.590 0.149
C 0.913 0.087 0.961
C 0.087 0.913 0.039
Br 0.202 0.798 0.660
Br 0.798 0.202 0.340 |
Below is a description of a material. | The chemical formula is: SrH2O2.
The XRD pattern shows main peaks at: 17.2°(0.53), 18.0°(0.18), 23.3°(0.45), 27.2°(0.45), 28.7°(1.0), 29.2°(0.22), 31.0°(0.74), 36.5°(0.25), 38.8°(0.55), 39.5°(0.12), 43.4°(0.24), 46.5°(0.23), 47.0°(0.61), 48.9°(0.2), 51.1°(0.13), 54.3°(0.22), 56.9°(0.28), 69.7°(0.12), 75.3°(0.11), 86.6°... | JVASP-163630 | 9.86 6.04 3.91
90 90 90
Sr 0.658 0.398 0.250
Sr 0.158 0.102 0.250
Sr 0.339 0.602 0.750
Sr 0.839 0.898 0.750
H 0.907 0.315 0.250
H 0.407 0.185 0.250
H 0.090 0.685 0.750
H 0.590 0.815 0.750
H 0.973 0.628 0.250
H 0.473 0.872 0.250
H 0.024 0.372 0.750
H 0.524 0.128 0.750
O 0.892 0.154 0.250
O 0.392 0.346 0.250
O 0.105 0.84... |
Below is a description of a material. | The chemical formula is: RbTlCl3.
The XRD pattern shows main peaks at: 16.2°(0.37), 22.9°(1.0), 32.6°(0.5), 36.6°(0.22), 40.3°(0.44), 46.8°(0.36), 49.9°(0.1), 52.8°(0.2), 58.2°(0.12), 63.4°(0.26), 68.4°(0.06), 70.8°(0.06), 73.2°(0.13), 77.8°(0.15), 82.4°(0.06), 87.0°(0.13).
Generate atomic structure description with la... | JVASP-138663 | 5.49 5.49 5.49
90 90 90
Rb 0.000 0.000 0.000
Tl 0.500 0.500 0.500
Cl 0.000 0.500 0.500
Cl 0.500 0.500 0.000
Cl 0.500 0.000 0.500 |
Below is a description of a material. | The chemical formula is: Ho3Mg.
The XRD pattern shows main peaks at: 14.8°(0.07), 22.0°(0.24), 25.8°(0.1), 29.9°(0.23), 32.8°(0.26), 34.2°(1.0), 42.2°(0.05), 43.3°(0.06), 44.9°(0.16), 53.0°(0.2), 59.4°(0.22), 63.7°(0.22), 64.6°(0.17), 83.6°(0.07).
Generate atomic structure description with lattice lengths, angles, coor... | JVASP-39441 | 6.91 6.91 5.46
90 90 120
Ho 0.661 0.831 0.750
Ho 0.169 0.339 0.750
Ho 0.169 0.831 0.750
Ho 0.831 0.169 0.250
Ho 0.831 0.661 0.250
Ho 0.339 0.169 0.250
Mg 0.667 0.333 0.750
Mg 0.333 0.667 0.250 |
Below is a description of a material. | The chemical formula is: NdBr3.
The XRD pattern shows main peaks at: 15.1°(0.44), 19.8°(0.41), 22.8°(0.38), 24.0°(0.26), 26.0°(0.14), 29.2°(0.2), 32.7°(0.57), 35.1°(1.0), 38.3°(0.71), 39.4°(0.19), 40.3°(0.16), 41.0°(0.28), 44.4°(0.12), 46.2°(0.13), 52.4°(0.14), 53.4°(0.28), 60.0°(0.2), 62.2°(0.15), 63.2°(0.15), 68.7°(0... | JVASP-125224 | 4.80 4.80 5.95
96 96 69
Nd 0.250 0.250 0.125
Br 0.250 0.250 0.625
Br 0.610 0.610 0.300
Br 0.890 0.890 0.950 |
Below is a description of a material. | The chemical formula is: BaGeO.
The XRD pattern shows main peaks at: 12.0°(0.11), 24.1°(1.0), 27.0°(0.07), 34.4°(0.68), 36.6°(0.07), 42.4°(0.22), 44.3°(0.1), 49.4°(0.11), 51.1°(0.06), 55.7°(0.29), 61.6°(0.19), 68.5°(0.08), 72.4°(0.06), 77.6°(0.11), 82.6°(0.08), 87.7°(0.06).
Generate atomic structure description with la... | JVASP-114039 | 3.69 3.69 7.36
90 90 90
Ba 0.000 0.000 0.311
Ge 0.000 0.000 0.755
O 0.000 0.000 -0.011 |
Below is a description of a material. | The chemical formula is: Zr2TcRh.
The XRD pattern shows main peaks at: 38.8°(1.0), 56.0°(0.15), 70.3°(0.31), 83.3°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-193387 | 4.64 4.64 4.64
60 59 59
Rh 0.250 0.250 0.250
Tc 0.750 0.750 0.750
Zr 0.000 -0.000 0.000
Zr 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: SrLiGe.
The XRD pattern shows main peaks at: 20.7°(0.55), 34.5°(1.0), 36.2°(0.65), 42.1°(0.08), 50.8°(0.3), 56.3°(0.06), 60.6°(0.06), 64.0°(0.34), 65.1°(0.11), 68.8°(0.18), 76.8°(0.06), 87.0°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-180029 | 4.96 4.96 3.27
90 90 120
Sr 0.667 0.333 0.500
Li 0.333 0.667 0.500
Ge -0.000 0.000 -0.000 |
Below is a description of a material. | The chemical formula is: Pu2InRh2.
The XRD pattern shows main peaks at: 16.6°(0.06), 23.6°(0.06), 26.4°(0.16), 29.3°(0.08), 33.8°(0.21), 35.9°(1.0), 37.7°(0.4), 49.0°(0.13), 49.9°(0.07), 51.4°(0.1), 56.0°(0.18), 57.4°(0.09), 63.4°(0.17), 72.0°(0.16), 73.7°(0.07), 83.0°(0.1), 86.7°(0.06).
Generate atomic structure descr... | JVASP-51569 | 7.54 7.54 3.72
90 90 90
Pu 0.665 0.165 0.500
Pu 0.165 0.335 0.500
Pu 0.835 0.665 0.500
Pu 0.335 0.835 0.500
In 0.000 0.000 0.000
In 0.500 0.500 0.000
Rh 0.861 0.361 0.000
Rh 0.139 0.639 0.000
Rh 0.639 0.861 0.000
Rh 0.361 0.139 0.000 |
Below is a description of a material. | The chemical formula is: CaCu3Sn4O12.
The XRD pattern shows main peaks at: 22.9°(0.15), 32.7°(1.0), 46.9°(0.25), 58.3°(0.49), 68.5°(0.13), 78.0°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-49706 | 6.71 6.71 6.71
109 109 109
Ca 0.000 0.000 0.000
Cu 0.500 0.500 -0.000
Cu 0.000 0.500 0.500
Cu 0.500 0.000 0.500
Sn 0.500 0.500 0.500
Sn 0.000 0.500 -0.000
Sn 0.000 0.000 0.500
Sn 0.500 0.000 -0.000
O 0.693 0.524 0.831
O 0.169 0.307 0.476
O 0.524 0.831 0.693
O 0.693 0.863 0.169
O 0.137 0.831 0.307
O 0.169 0.693 0.863
O ... |
Below is a description of a material. | The chemical formula is: SrCeI4.
The XRD pattern shows main peaks at: 12.0°(0.61), 23.1°(0.3), 27.1°(0.89), 28.2°(1.0), 29.3°(0.72), 29.9°(0.56), 30.8°(0.68), 31.8°(0.56), 32.0°(0.6), 32.6°(0.23), 34.1°(0.73), 35.7°(0.14), 36.8°(0.56), 41.7°(0.17), 42.5°(0.21), 44.8°(0.16), 49.9°(0.19), 54.5°(0.21), 55.8°(0.26), 59.6°(... | JVASP-165514 | 7.38 8.57 8.99
113 108 100
Sr 0.386 0.136 0.271
Sr 0.614 0.864 0.729
Ce 0.750 0.500 -0.000
Ce 0.250 0.500 0.000
I 0.992 0.258 0.126
I 0.207 0.801 0.356
I 0.649 0.555 0.356
I 0.351 0.445 0.644
I 0.366 0.132 0.874
I 0.793 0.199 0.644
I 0.634 0.868 0.126
I 0.008 0.742 0.874 |
Below is a description of a material. | The chemical formula is: DyCuSe2.
The XRD pattern shows main peaks at: 13.8°(0.27), 25.1°(0.08), 28.8°(1.0), 37.8°(0.62), 42.2°(0.06), 44.3°(0.51), 46.6°(0.08), 49.8°(0.24), 53.7°(0.17), 59.6°(0.16), 62.9°(0.1), 68.8°(0.09), 72.1°(0.14), 75.3°(0.08), 77.2°(0.15), 79.4°(0.06), 81.5°(0.08), 85.6°(0.1).
Generate atomic st... | JVASP-53498 | 4.09 4.09 6.42
90 90 119
Dy 0.000 0.000 0.511
Cu 0.667 0.333 0.127
Se 0.333 0.667 0.241
Se 0.667 0.333 0.747 |
Below is a description of a material. | The chemical formula is: BaBeBr.
The XRD pattern shows main peaks at: 19.9°(1.0), 32.9°(0.88), 38.7°(0.58), 47.1°(0.16), 51.7°(0.25), 58.7°(0.32), 62.6°(0.19), 68.9°(0.11), 72.5°(0.19), 78.4°(0.15), 81.9°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-133851 | 5.45 5.45 5.45
60 60 60
Ba 0.250 0.250 0.250
Be 0.500 0.500 0.500
Br 0.000 0.000 0.000 |
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