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: LaCuSe2.
The XRD pattern shows main peaks at: 20.3°(0.17), 22.2°(0.6), 28.7°(0.7), 29.2°(0.13), 29.9°(1.0), 31.5°(0.63), 32.5°(0.17), 34.0°(0.73), 35.3°(0.46), 36.3°(0.13), 37.6°(0.42), 38.3°(0.25), 38.9°(0.4), 44.8°(0.46), 46.0°(0.24), 49.5°(0.32), 50.1°(0.14), 51.3°(0.11), 54.1°(0.12), 63.9°(... | JVASP-154006 | 7.66 6.87 7.34
83 89 90
La 0.048 0.691 0.202
La 0.548 0.309 0.298
La 0.952 0.309 0.798
La 0.452 0.691 0.702
Cu 0.663 0.936 0.040
Cu 0.163 0.064 0.460
Cu 0.337 0.064 0.960
Cu 0.837 0.936 0.540
Se 0.386 0.904 0.281
Se 0.886 0.096 0.219
Se 0.614 0.096 0.719
Se 0.114 0.904 0.781
Se 0.275 0.413 0.999
Se 0.775 0.587 0.501
Se... |
Below is a description of a material. | The chemical formula is: Zr6Ga2Co.
The XRD pattern shows main peaks at: 35.1°(1.0), 37.7°(0.56), 39.9°(0.26), 44.5°(0.2), 48.5°(0.08), 54.5°(0.12), 56.1°(0.11), 66.3°(0.26), 69.6°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-89098 | 7.82 7.82 3.37
90 90 120
Zr 0.250 0.000 0.000
Zr 0.750 0.750 0.000
Zr 0.000 0.250 0.000
Zr 0.000 0.594 0.500
Zr 0.406 0.406 0.500
Zr 0.594 0.000 0.500
Ga 0.333 0.667 0.000
Ga 0.667 0.333 0.000
Co 0.000 0.000 0.500 |
Below is a description of a material. | The chemical formula is: MnSeO2.
The XRD pattern shows main peaks at: 22.9°(0.79), 34.7°(0.06), 35.6°(1.0), 41.1°(0.08), 46.8°(0.1), 48.3°(0.33), 49.1°(0.34), 54.1°(0.3), 69.5°(0.12), 70.2°(0.18), 70.7°(0.09), 75.4°(0.11), 81.7°(0.17), 89.1°(0.07).
Generate atomic structure description with lattice lengths, angles, coo... | JVASP-181650 | 2.67 2.67 7.76
90 90 90
Mn 0.500 0.500 0.415
Se -0.000 0.000 0.899
O 0.000 -0.000 0.487
O 0.500 0.500 0.209 |
Below is a description of a material. | The chemical formula is: DyU3.
The XRD pattern shows main peaks at: 15.0°(0.05), 34.2°(0.57), 34.9°(1.0), 38.5°(0.48), 49.6°(0.36), 59.3°(0.31), 62.6°(0.16), 63.7°(0.08), 65.0°(0.12), 67.9°(0.05), 73.9°(0.08), 74.7°(0.27), 81.3°(0.13), 83.7°(0.09), 89.3°(0.06).
Generate atomic structure description with lattice lengths... | JVASP-123478 | 2.92 5.92 5.15
90 90 90
Dy 0.000 0.109 0.750
U 0.500 0.408 0.250
U 0.500 0.607 0.750
U 0.000 0.877 0.250 |
Below is a description of a material. | The chemical formula is: RbCuF4.
The XRD pattern shows main peaks at: 27.4°(1.0), 29.4°(0.28), 32.8°(0.33), 36.1°(0.11), 44.7°(0.09), 47.1°(0.26), 50.9°(0.28), 55.4°(0.27), 56.5°(0.15), 68.9°(0.08), 71.9°(0.19), 75.6°(0.05), 76.6°(0.06), 78.4°(0.05), 80.5°(0.08).
Generate atomic structure description with lattice lengt... | JVASP-186329 | 3.86 3.86 6.08
90 90 90
Rb 0.000 0.000 0.000
Cu 0.500 0.500 0.500
F 0.500 0.500 0.802
F 0.500 0.500 0.198
F 0.500 -0.000 0.500
F 0.000 0.500 0.500 |
Below is a description of a material. | The chemical formula is: BaFeCuF7.
The XRD pattern shows main peaks at: 25.3°(0.81), 25.8°(1.0), 26.7°(0.79), 28.2°(0.13), 29.8°(0.38), 31.0°(0.35), 32.0°(0.36), 38.1°(0.14), 39.2°(0.23), 40.5°(0.5), 41.0°(0.33), 42.3°(0.26), 43.4°(0.15), 46.0°(0.15), 48.7°(0.15), 49.5°(0.13), 52.9°(0.31), 55.2°(0.25), 56.9°(0.13), 64.... | JVASP-144410 | 7.38 7.38 5.59
69 69 86
Ba 0.690 0.320 0.261
Ba 0.320 0.690 0.761
Fe 0.300 0.082 0.116
Fe 0.082 0.300 0.616
Cu 0.713 0.916 0.893
Cu 0.916 0.713 0.393
F 0.436 0.045 0.775
F 0.805 0.947 0.510
F 0.045 0.436 0.275
F 0.673 0.584 0.497
F 0.077 0.176 0.003
F 0.418 0.328 0.018
F 0.947 0.805 0.010
F 0.584 0.673 0.997
F 0.176 0.... |
Below is a description of a material. | The chemical formula is: Ba4TaTi.
The XRD pattern shows main peaks at: 15.8°(0.17), 18.3°(0.07), 25.9°(0.19), 30.5°(1.0), 31.9°(0.47), 37.0°(0.07), 45.7°(0.08), 48.7°(0.36), 53.3°(0.29), 62.7°(0.13), 63.5°(0.19), 75.1°(0.23), 78.8°(0.05), 86.8°(0.07).
Generate atomic structure description with lattice lengths, angles, ... | JVASP-64051 | 6.87 6.87 6.87
60 60 60
Ba 0.126 0.625 0.625
Ba 0.625 0.625 0.625
Ba 0.625 0.126 0.625
Ba 0.625 0.625 0.126
Ta 0.250 0.250 0.250
Ti 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Sr2IN.
The XRD pattern shows main peaks at: 26.0°(0.35), 30.0°(1.0), 32.2°(0.62), 34.8°(0.24), 40.6°(0.17), 45.3°(0.39), 47.1°(0.08), 55.3°(0.17), 56.6°(0.11), 58.3°(0.33), 62.1°(0.1), 74.1°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-56283 | 8.07 8.07 8.07
28 28 28
Sr 0.224 0.224 0.224
Sr 0.776 0.776 0.776
I 0.000 0.000 0.000
N 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: AlRuPt.
The XRD pattern shows main peaks at: 23.5°(0.85), 32.6°(0.43), 40.6°(0.76), 41.3°(1.0), 48.0°(0.13), 53.6°(0.66), 59.3°(0.25), 65.1°(0.1), 68.4°(0.07), 73.4°(0.05), 74.8°(0.25), 75.2°(0.16), 83.1°(0.27), 84.4°(0.17), 89.6°(0.11).
Generate atomic structure description with lattice length... | JVASP-181665 | 4.37 4.37 2.74
90 90 120
Al 0.000 0.000 -0.000
Ru 0.667 0.333 0.500
Pt 0.333 0.667 0.500 |
Below is a description of a material. | The chemical formula is: W3Se2S4.
The XRD pattern shows main peaks at: 3.2°(1.0), 12.7°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-28461 | 3.24 3.24 27.94
90 90 120
W 0.333 0.667 0.116
W 0.333 0.667 0.578
W 0.667 0.333 0.347
Se 0.333 0.667 0.408
Se 0.333 0.667 0.286
S 0.667 0.333 0.060
S 0.667 0.333 0.522
S 0.667 0.333 0.172
S 0.667 0.333 0.634 |
Below is a description of a material. | The chemical formula is: SnHCl.
The XRD pattern shows main peaks at: 12.1°(0.89), 24.4°(0.6), 27.9°(1.0), 30.5°(0.45), 36.9°(0.1), 37.4°(0.81), 39.9°(0.36), 41.8°(0.21), 46.9°(0.22), 47.3°(0.42), 55.5°(0.12), 57.7°(0.12), 58.2°(0.17), 63.5°(0.17), 65.3°(0.15), 65.7°(0.13), 66.6°(0.11), 70.8°(0.29), 77.4°(0.11), 86.4°(0... | JVASP-118056 | 3.20 3.20 7.31
90 90 90
Sn 0.000 0.000 -0.010
H 0.000 0.000 0.621
Cl 0.000 0.000 0.442 |
Below is a description of a material. | The chemical formula is: H.
The XRD pattern shows main peaks at: 28.4°(1.0), 40.6°(0.1), 50.3°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-891 | 3.85 3.85 3.85
109 109 109
H 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: La3Pr.
The XRD pattern shows main peaks at: 27.6°(0.09), 28.6°(0.46), 29.7°(0.35), 31.4°(1.0), 35.7°(0.26), 41.0°(0.06), 47.1°(0.11), 48.8°(0.27), 57.6°(0.06), 58.2°(0.32), 59.3°(0.16), 80.2°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-132028 | 3.73 3.73 12.01
90 90 119
La 0.000 0.000 0.500
La 0.667 0.333 0.750
La 0.333 0.667 0.250
Pr 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: MgGaCu3Se4.
The XRD pattern shows main peaks at: 15.2°(0.28), 26.6°(0.87), 34.5°(0.13), 44.1°(1.0), 46.9°(0.08), 52.2°(0.41), 64.1°(0.16), 70.6°(0.16), 81.0°(0.31), 87.1°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-100943 | 5.81 5.81 5.81
90 90 90
Mg 0.500 0.500 0.500
Ga 0.000 0.000 0.000
Cu 0.000 0.500 0.000
Cu 0.000 0.000 0.500
Cu 0.500 0.000 0.000
Se 0.246 0.246 0.246
Se 0.754 0.754 0.246
Se 0.246 0.754 0.754
Se 0.754 0.246 0.754 |
Below is a description of a material. | The chemical formula is: MnInCu2.
The XRD pattern shows main peaks at: 24.9°(0.09), 41.2°(1.0), 59.6°(0.14), 75.0°(0.28), 89.4°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-18265 | 4.38 4.38 4.38
60 60 60
Mn 0.500 0.500 0.500
In 0.000 0.000 0.000
Cu 0.750 0.750 0.750
Cu 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: AgS2I.
The XRD pattern shows main peaks at: 13.8°(1.0), 22.8°(0.35), 24.1°(0.39), 24.9°(0.24), 27.6°(0.81), 29.3°(0.23), 30.2°(0.69), 32.1°(0.58), 35.0°(0.2), 37.5°(0.18), 38.8°(0.3), 40.1°(0.25), 42.2°(0.17), 42.6°(0.46), 44.1°(0.11), 45.7°(0.15), 46.5°(0.31), 47.0°(0.22), 51.9°(0.12), 53.2°(0... | JVASP-136138 | 4.27 4.72 6.57
80 88 122
Ag 0.246 0.329 -0.123
S 0.103 0.087 0.544
S -0.141 0.591 0.635
I 0.508 -0.147 0.103 |
Below is a description of a material. | The chemical formula is: YbTiO3.
The XRD pattern shows main peaks at: 23.2°(0.31), 33.0°(1.0), 40.7°(0.27), 47.4°(0.3), 53.4°(0.16), 59.0°(0.35), 69.2°(0.16), 74.1°(0.08), 78.9°(0.16), 83.6°(0.09), 88.2°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-41404 | 3.84 3.84 3.84
90 90 90
Yb 0.000 0.000 0.000
Ti 0.500 0.500 0.500
O 0.500 0.500 0.000
O 0.500 0.000 0.500
O 0.000 0.500 0.500 |
Below is a description of a material. | The chemical formula is: TiBeRh.
The XRD pattern shows main peaks at: 15.8°(0.61), 31.9°(0.23), 36.1°(0.31), 39.7°(1.0), 49.0°(0.47), 62.1°(0.14), 65.0°(0.16), 67.3°(0.07), 74.2°(0.11), 78.3°(0.14), 78.9°(0.13), 85.3°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-67265 | 2.87 2.87 5.61
90 90 120
Ti 0.667 0.333 0.322
Be 0.000 0.000 0.980
Rh 0.333 0.667 0.698 |
Below is a description of a material. | The chemical formula is: Ba2PdO3.
The XRD pattern shows main peaks at: 13.2°(0.06), 26.5°(0.08), 29.4°(0.74), 30.5°(0.82), 31.7°(1.0), 40.3°(0.2), 40.9°(0.09), 41.8°(0.16), 43.8°(0.23), 46.9°(0.18), 52.1°(0.3), 54.4°(0.3), 56.4°(0.24), 61.0°(0.1), 63.5°(0.09), 66.2°(0.12), 71.7°(0.06), 72.9°(0.09), 77.5°(0.08).
Generat... | JVASP-8683 | 3.87 4.13 7.29
106 105 90
Ba 0.645 0.645 0.291
Ba 0.355 0.355 0.709
Pd 0.000 0.000 0.000
O 0.845 0.845 0.690
O 0.155 0.155 0.310
O 0.000 0.500 -0.000 |
Below is a description of a material. | The chemical formula is: CeU2O6.
The XRD pattern shows main peaks at: 9.4°(0.08), 28.4°(1.0), 32.9°(0.44), 47.3°(0.35), 56.0°(0.4), 58.7°(0.09), 69.0°(0.1), 76.1°(0.12), 78.4°(0.08), 87.8°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-104967 | 3.86 3.86 9.39
90 90 120
Ce 0.000 0.000 0.000
U 0.333 0.667 0.666
U 0.667 0.333 0.334
O 0.000 0.000 0.264
O 0.333 0.667 0.904
O 0.667 0.333 0.581
O 0.667 0.333 0.096
O 0.000 0.000 0.736
O 0.333 0.667 0.419 |
Below is a description of a material. | The chemical formula is: V4ZnO10.
The XRD pattern shows main peaks at: 7.7°(0.71), 17.6°(1.0), 23.6°(0.3), 26.3°(0.62), 27.5°(0.36), 29.4°(0.59), 31.3°(0.12), 35.5°(0.38), 36.2°(0.1), 36.6°(0.21), 37.5°(0.16), 48.2°(0.08), 50.8°(0.24), 54.2°(0.08), 62.1°(0.19).
Generate atomic structure description with lattice lengths... | JVASP-147101 | 3.60 5.34 11.43
90 90 70
V 0.799 0.403 0.902
V 0.207 0.585 0.103
V 0.799 0.403 0.598
V 0.207 0.585 0.397
Zn 0.103 0.795 0.750
O 0.269 0.463 0.250
O 0.700 0.601 0.750
O 0.761 0.479 0.067
O 0.761 0.479 0.433
O 0.242 0.516 0.921
O 0.242 0.516 0.579
O 0.959 0.082 0.628
O 0.959 0.082 0.872
O 0.049 0.902 0.384
O 0.049 0.902 ... |
Below is a description of a material. | The chemical formula is: Tm2IrPt.
The XRD pattern shows main peaks at: 37.3°(1.0), 53.8°(0.18), 67.3°(0.36), 79.5°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-105269 | 4.82 4.82 4.82
60 60 60
Tm 0.250 0.250 0.250
Tm 0.750 0.750 0.750
Ir 0.500 0.500 0.500
Pt 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: COF2.
The XRD pattern shows main peaks at: 22.4°(0.46), 36.2°(1.0), 43.0°(0.26), 52.1°(0.26), 52.9°(0.16), 57.4°(0.09), 76.9°(0.15), 77.5°(0.07), 88.0°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-134349 | 3.51 3.51 3.98
90 90 90
C 0.500 0.500 0.523
O 0.000 0.000 0.014
F 0.000 0.000 0.644
F 0.500 0.500 0.829 |
Below is a description of a material. | The chemical formula is: Ga2PbO4.
The XRD pattern shows main peaks at: 19.2°(0.33), 21.4°(0.21), 28.3°(1.0), 33.1°(0.51), 33.7°(0.22), 34.7°(0.09), 36.8°(0.11), 41.9°(0.1), 43.7°(0.1), 44.4°(0.33), 46.4°(0.16), 50.0°(0.09), 52.5°(0.12), 54.4°(0.12), 55.9°(0.11), 56.3°(0.1), 57.1°(0.13), 59.9°(0.11), 69.4°(0.09), 77.0°(... | JVASP-12314 | 5.31 5.42 8.63
90 90 119
Ga 0.710 0.347 0.448
Ga 0.363 0.653 0.552
Ga 0.710 0.347 0.052
Ga 0.363 0.653 0.948
Pb 0.022 0.048 0.250
Pb 0.974 0.952 0.750
O 0.874 0.387 0.250
O 0.487 0.613 0.750
O 0.680 -0.000 0.500
O 0.680 -0.000 0.000
O 0.369 0.362 0.440
O 0.008 0.638 0.560
O 0.008 0.638 0.940
O 0.369 0.362 0.060 |
Below is a description of a material. | The chemical formula is: BaRhF6.
The XRD pattern shows main peaks at: 23.7°(1.0), 28.2°(0.65), 37.2°(0.26), 41.7°(0.14), 44.6°(0.68), 48.6°(0.19), 52.4°(0.11), 57.1°(0.14), 58.3°(0.07), 62.7°(0.1), 63.8°(0.2), 76.2°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-14902 | 4.96 4.96 4.96
98 98 98
Ba 0.500 0.500 0.500
Rh 0.000 0.000 0.000
F 0.719 0.719 0.073
F 0.719 0.073 0.719
F 0.281 0.927 0.281
F 0.281 0.281 0.927
F 0.927 0.281 0.281
F 0.073 0.719 0.719 |
Below is a description of a material. | The chemical formula is: LaLuS3.
The XRD pattern shows main peaks at: 17.9°(0.09), 20.1°(0.13), 24.2°(0.19), 25.5°(1.0), 26.6°(0.2), 30.7°(0.07), 32.7°(0.09), 36.4°(0.24), 37.5°(0.09), 39.1°(0.13), 40.2°(0.1), 40.8°(0.11), 43.4°(0.09), 44.3°(0.11), 45.8°(0.14), 46.4°(0.27), 52.4°(0.1), 53.2°(0.07), 54.6°(0.09), 60.5°(0... | JVASP-169549 | 6.69 7.35 9.85
90 90 90
La 0.534 0.406 0.991
La 0.466 0.594 0.491
La 0.034 0.094 0.491
La 0.966 0.906 0.991
Lu -0.000 0.500 0.241
Lu 0.000 0.500 0.741
Lu 0.500 0.000 0.741
Lu 0.500 -0.000 0.241
S 0.822 0.188 0.806
S 0.178 0.812 0.306
S 0.322 0.312 0.306
S 0.678 0.688 0.806
S 0.822 0.187 0.176
S 0.178 0.813 0.676
S 0.32... |
Below is a description of a material. | The chemical formula is: O.
The XRD pattern shows main peaks at: 23.0°(0.64), 41.7°(0.23), 43.4°(1.0), 48.2°(0.09), 75.5°(0.09), 76.2°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-79588 | 2.50 2.50 7.74
90 90 119
O 0.667 0.333 0.671
O 0.333 0.667 0.329
O 0.333 0.667 0.171
O 0.667 0.333 0.829 |
Below is a description of a material. | The chemical formula is: MoCl3O.
The XRD pattern shows main peaks at: 13.2°(0.41), 15.7°(0.89), 19.8°(0.74), 20.6°(0.21), 23.0°(0.1), 25.0°(0.6), 25.7°(0.21), 26.6°(0.13), 31.0°(0.13), 34.2°(1.0), 34.9°(0.26), 37.2°(0.18), 38.2°(0.09), 44.2°(0.25), 45.1°(0.19), 49.6°(0.16), 53.0°(0.15), 55.8°(0.07), 56.7°(0.1), 59.0°(0... | JVASP-143951 | 13.41 6.05 5.63
87 90 90
Mo 0.658 0.311 0.992
Mo 0.158 0.189 0.008
Mo 0.342 0.689 0.008
Mo 0.842 0.811 0.992
Cl 0.692 0.949 0.199
Cl 0.192 0.551 0.801
Cl 0.308 0.051 0.801
Cl 0.808 0.449 0.199
Cl 0.818 0.119 0.731
Cl 0.318 0.381 0.269
Cl 0.182 0.881 0.269
Cl 0.682 0.619 0.731
Cl 0.562 0.143 0.716
Cl 0.062 0.357 0.284
C... |
Below is a description of a material. | The chemical formula is: Rh3Se.
The XRD pattern shows main peaks at: 37.2°(0.23), 40.8°(0.25), 42.6°(1.0), 56.3°(0.13), 67.0°(0.17), 75.5°(0.18), 81.5°(0.19), 82.7°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-39457 | 5.59 5.59 4.43
90 90 120
Rh 0.836 0.671 0.750
Rh 0.836 0.164 0.750
Rh 0.329 0.164 0.750
Rh 0.164 0.329 0.250
Rh 0.164 0.836 0.250
Rh 0.671 0.836 0.250
Se 0.667 0.333 0.250
Se 0.333 0.667 0.750 |
Below is a description of a material. | The chemical formula is: CSO.
The XRD pattern shows main peaks at: 13.9°(1.0), 18.6°(0.65), 19.8°(0.18), 23.3°(0.54), 27.3°(0.16), 28.1°(0.12), 31.5°(0.24), 33.9°(0.13), 36.9°(0.26), 37.8°(0.08), 40.5°(0.1), 42.7°(0.05), 44.6°(0.11), 45.2°(0.1), 47.0°(0.07), 49.2°(0.15), 50.0°(0.11), 55.6°(0.07), 60.3°(0.09).
Generate ... | JVASP-113533 | 6.35 6.35 4.76
90 90 90
C 0.289 0.001 0.000
S -0.107 -0.080 0.000
O 0.046 0.267 0.000 |
Below is a description of a material. | The chemical formula is: Tb3Cu4Sn4.
The XRD pattern shows main peaks at: 25.7°(0.09), 33.3°(0.96), 34.1°(1.0), 36.6°(0.2), 37.6°(0.08), 40.4°(0.41), 43.3°(0.21), 45.2°(0.23), 45.9°(0.1), 50.1°(0.1), 50.9°(0.07), 53.1°(0.15), 55.0°(0.1), 55.6°(0.11), 60.6°(0.16), 66.2°(0.09), 68.5°(0.08), 68.9°(0.13), 69.4°(0.13), 76.4°... | JVASP-150964 | 8.45 8.45 8.45
149 131 58
Tb 0.500 0.000 0.500
Tb 0.132 0.132 0.000
Tb 0.868 0.868 -0.000
Cu 0.518 0.330 0.188
Cu 0.482 0.670 0.812
Cu 0.858 0.670 0.188
Cu 0.142 0.330 0.812
Sn 0.716 0.216 0.500
Sn 0.284 0.784 0.500
Sn 0.203 0.500 0.703
Sn 0.797 0.500 0.297 |
Below is a description of a material. | The chemical formula is: SrAlS.
The XRD pattern shows main peaks at: 22.3°(0.26), 31.4°(1.0), 39.2°(0.43), 44.3°(0.1), 50.2°(0.07), 51.0°(0.23), 60.6°(0.21), 66.2°(0.23), 71.0°(0.06), 73.5°(0.08), 86.6°(0.06), 87.7°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-183339 | 4.60 4.60 4.09
90 90 120
Sr 0.000 0.000 -0.000
Al 0.333 0.667 0.500
S 0.667 0.333 0.500 |
Below is a description of a material. | The chemical formula is: Ba4CaGe.
The XRD pattern shows main peaks at: 15.0°(0.42), 24.5°(0.09), 28.9°(1.0), 30.2°(0.71), 35.0°(0.22), 38.2°(0.12), 46.0°(0.37), 50.3°(0.38), 52.8°(0.11), 59.0°(0.13), 59.8°(0.31), 64.9°(0.06), 70.5°(0.25), 73.9°(0.06), 81.2°(0.07), 81.8°(0.06).
Generate atomic structure description with... | JVASP-64452 | 7.25 7.25 7.25
60 60 60
Ba 0.119 0.627 0.627
Ba 0.627 0.627 0.627
Ba 0.627 0.119 0.627
Ba 0.627 0.627 0.119
Ca 0.250 0.250 0.250
Ge 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Mn2MoO3.
The XRD pattern shows main peaks at: 35.5°(1.0), 37.5°(0.87), 41.2°(0.15), 52.6°(0.59), 63.7°(0.18), 65.0°(0.43), 75.1°(0.16), 76.3°(0.2), 87.1°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-184237 | 5.06 5.06 2.87
90 90 120
Mn 0.667 0.333 0.500
Mn 0.333 0.667 0.500
Mo 0.000 0.000 -0.000
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: TiAgSe2.
The XRD pattern shows main peaks at: 11.9°(0.09), 23.8°(0.07), 28.8°(0.55), 29.6°(1.0), 32.7°(0.36), 34.9°(0.25), 36.1°(0.17), 40.3°(0.83), 43.3°(0.47), 48.8°(0.09), 50.4°(0.67), 53.7°(0.14), 59.6°(0.12), 63.6°(0.18), 66.4°(0.17), 68.6°(0.12), 72.8°(0.16), 81.7°(0.11), 84.1°(0.09), 87.... | JVASP-35240 | 3.62 3.62 7.75
76 76 60
Ti -0.000 -0.000 0.000
Ag 0.848 0.848 0.457
Se 0.734 0.734 0.798
Se 0.264 0.264 0.209 |
Below is a description of a material. | The chemical formula is: Li4Fe3CoO8.
The XRD pattern shows main peaks at: 21.4°(0.69), 22.4°(1.0), 27.8°(0.21), 32.6°(0.46), 35.4°(0.51), 37.2°(0.47), 41.7°(0.14), 46.4°(0.1), 48.8°(0.17), 58.0°(0.16), 58.3°(0.17), 64.7°(0.25), 69.8°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates... | JVASP-45238 | 5.07 5.46 6.36
90 90 90
Li 0.994 0.084 0.626
Li 0.499 0.418 0.123
Li 0.995 0.582 0.877
Li 0.499 0.916 0.375
Fe 0.005 0.082 0.123
Fe 0.496 0.415 0.630
Fe 0.998 0.583 0.376
Co 0.503 0.915 0.871
O 0.366 0.069 0.110
O 0.391 0.092 0.639
O 0.886 0.412 0.130
O 0.875 0.423 0.621
O 0.375 0.573 0.382
O 0.390 0.592 0.863
O 0.887 ... |
Below is a description of a material. | The chemical formula is: UCo2Sn2.
The XRD pattern shows main peaks at: 22.2°(0.09), 27.5°(0.07), 28.8°(0.17), 30.3°(0.09), 34.3°(1.0), 41.2°(0.45), 47.5°(0.06), 50.2°(0.06), 51.4°(0.12), 54.7°(0.24), 59.7°(0.14), 67.8°(0.1), 70.7°(0.22), 85.2°(0.07), 89.4°(0.05).
Generate atomic structure description with lattice lengt... | JVASP-150802 | 4.38 4.38 9.73
90 90 90
U 0.250 0.250 0.727
U 0.750 0.750 0.273
Co 0.750 0.250 0.500
Co 0.250 0.750 0.500
Co 0.250 0.250 0.127
Co 0.750 0.750 0.873
Sn 0.750 0.250 0.000
Sn 0.250 0.750 0.000
Sn 0.250 0.250 0.372
Sn 0.750 0.750 0.628 |
Below is a description of a material. | The chemical formula is: LaCeB12.
The XRD pattern shows main peaks at: 21.5°(0.65), 30.6°(1.0), 37.7°(0.43), 43.8°(0.22), 49.3°(0.5), 54.3°(0.24), 63.7°(0.09), 68.0°(0.26), 72.3°(0.12), 76.4°(0.09), 84.5°(0.06), 88.5°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-143843 | 4.13 4.13 8.27
90 90 90
La 0.000 0.000 0.500
Ce 0.000 0.000 0.000
B 0.199 0.500 0.249
B 0.199 0.500 0.751
B 0.500 0.500 0.400
B 0.500 0.500 0.901
B 0.500 0.199 0.249
B 0.500 0.199 0.751
B 0.500 0.500 0.099
B 0.500 0.500 0.600
B 0.500 0.801 0.249
B 0.500 0.801 0.751
B 0.801 0.500 0.249
B 0.801 0.500 0.751 |
Below is a description of a material. | The chemical formula is: Pr2ZnIr.
The XRD pattern shows main peaks at: 21.2°(0.1), 35.0°(1.0), 41.3°(0.06), 50.3°(0.17), 62.8°(0.36), 73.9°(0.1), 84.5°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-42860 | 5.13 5.13 5.13
60 60 60
Pr 0.000 0.000 0.000
Pr 0.500 0.500 0.500
Zn 0.750 0.750 0.750
Ir 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: SrZrO3.
The XRD pattern shows main peaks at: 30.4°(1.0), 30.8°(0.55), 43.0°(0.21), 44.2°(0.34), 53.8°(0.23), 54.6°(0.49), 63.3°(0.2), 64.3°(0.09), 71.0°(0.09), 73.0°(0.12), 80.5°(0.09), 87.6°(0.13), 88.6°(0.15), 89.2°(0.1).
Generate atomic structure description with lattice lengths, angles, coo... | JVASP-35190 | 5.80 5.80 4.21
90 90 90
Sr 0.000 0.500 0.000
Sr 0.500 0.000 0.000
Zr 0.500 0.500 0.500
Zr 0.000 0.000 0.500
O 0.500 0.500 0.000
O 0.000 0.000 0.000
O 0.807 0.693 0.500
O 0.193 0.307 0.500
O 0.307 0.807 0.500
O 0.693 0.193 0.500 |
Below is a description of a material. | The chemical formula is: YbNi.
The XRD pattern shows main peaks at: 28.1°(0.33), 30.1°(0.25), 30.8°(1.0), 33.7°(0.85), 36.2°(0.81), 37.8°(0.68), 41.4°(0.54), 43.0°(0.67), 45.8°(0.43), 53.9°(0.2), 56.2°(0.14), 56.8°(0.22), 58.7°(0.13), 59.7°(0.4), 63.3°(0.37), 73.3°(0.15), 75.5°(0.11), 79.7°(0.18), 81.2°(0.13), 88.9°(0.... | JVASP-150006 | 3.96 5.29 7.19
90 90 90
Yb 0.750 0.880 0.180
Yb 0.250 0.380 0.320
Yb 0.250 0.120 0.820
Yb 0.750 0.620 0.680
Ni 0.750 0.391 0.031
Ni 0.250 0.891 0.469
Ni 0.250 0.609 0.969
Ni 0.750 0.109 0.531 |
Below is a description of a material. | The chemical formula is: Rh3Au.
The XRD pattern shows main peaks at: 22.7°(0.1), 32.3°(0.08), 39.9°(1.0), 46.4°(0.49), 67.7°(0.31), 81.5°(0.38), 86.0°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-126543 | 3.92 3.92 3.92
90 90 90
Rh 0.000 0.000 0.500
Rh 0.500 0.500 0.500
Rh 0.500 0.000 0.000
Au 0.000 0.500 0.000 |
Below is a description of a material. | The chemical formula is: Li4SiGe3O10.
The XRD pattern shows main peaks at: 11.6°(0.11), 14.8°(0.43), 19.0°(0.14), 23.4°(0.53), 24.1°(1.0), 27.8°(0.21), 29.4°(0.06), 29.9°(0.12), 35.6°(0.21), 36.3°(0.26), 37.8°(0.13), 38.7°(0.06), 43.5°(0.06), 46.3°(0.11), 52.0°(0.05), 60.9°(0.05).
Generate atomic structure description ... | JVASP-116683 | 4.95 5.97 7.98
89 72 89
Li 0.633 0.652 0.886
Li 0.521 0.349 0.112
Li 0.132 0.354 0.880
Li 0.023 0.650 0.107
Si 0.211 0.842 0.713
Ge 0.931 0.161 0.288
Ge 0.711 0.157 0.710
Ge 0.427 0.835 0.296
O 0.395 0.656 0.137
O 0.529 0.342 0.867
O 0.901 0.340 0.126
O 0.036 0.669 0.859
O 0.530 0.890 0.736
O 0.055 0.095 0.734
O 0.298 ... |
Below is a description of a material. | The chemical formula is: Cr3NiB6.
The XRD pattern shows main peaks at: 10.0°(0.14), 30.3°(0.4), 33.5°(0.09), 36.6°(0.83), 40.7°(0.26), 43.3°(0.19), 45.8°(1.0), 47.0°(0.56), 50.5°(0.12), 56.9°(0.06), 60.9°(0.14), 62.0°(0.16), 63.0°(0.15), 71.5°(0.05), 74.1°(0.17), 76.8°(0.07), 77.7°(0.07), 82.1°(0.19).
Generate atomic s... | JVASP-106826 | 9.00 9.00 2.95
90 90 160
Cr 0.796 0.204 0.500
Cr 0.929 0.071 0.000
Cr 0.072 0.928 0.500
Ni 0.203 0.797 0.000
B 0.525 0.475 0.000
B 0.476 0.524 0.500
B 0.325 0.675 0.000
B 0.674 0.326 0.500
B 0.621 0.379 0.000
B 0.379 0.621 0.500 |
Below is a description of a material. | The chemical formula is: BeAs.
The XRD pattern shows main peaks at: 27.1°(1.0), 30.6°(0.31), 41.3°(0.68), 47.8°(0.29), 55.8°(0.14), 57.9°(0.29), 65.0°(0.18), 70.6°(0.14), 76.5°(0.11), 83.5°(0.11), 84.6°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-114598 | 3.81 3.81 2.92
90 90 120
Be 0.000 0.000 0.000
As 0.333 0.667 0.000 |
Below is a description of a material. | The chemical formula is: YSiRu.
The XRD pattern shows main peaks at: 13.7°(0.64), 25.2°(0.35), 33.1°(0.96), 34.9°(0.4), 41.1°(1.0), 41.8°(0.21), 42.9°(0.69), 45.2°(0.13), 50.4°(0.11), 56.4°(0.17), 61.4°(0.29), 62.3°(0.22), 65.5°(0.1), 72.3°(0.18), 77.4°(0.31), 80.8°(0.09), 89.0°(0.05).
Generate atomic structure descrip... | JVASP-190393 | 4.22 4.22 6.49
90 90 90
Y 0.750 0.750 0.321
Y 0.250 0.250 0.679
Ru 0.750 0.250 0.000
Ru 0.250 0.750 0.000
Si 0.750 0.750 0.808
Si 0.250 0.250 0.192 |
Below is a description of a material. | The chemical formula is: Ca2WN2.
The XRD pattern shows main peaks at: 15.1°(0.42), 17.6°(0.27), 19.6°(0.53), 22.1°(1.0), 27.5°(0.33), 32.6°(0.96), 35.1°(0.63), 35.7°(0.2), 36.7°(0.08), 39.9°(0.22), 41.1°(0.25), 42.4°(0.28), 45.2°(0.18), 45.6°(0.13), 46.1°(0.19), 48.7°(0.12), 50.9°(0.15), 56.2°(0.28), 56.8°(0.08), 61.3°... | JVASP-167838 | 5.12 6.05 6.89
60 68 65
Ca 0.678 0.274 0.370
Ca 0.323 0.727 0.626
Ca 0.024 0.721 0.231
Ca 0.977 0.281 0.765
W 0.356 0.161 0.127
W 0.645 0.840 0.869
N 0.183 0.250 0.384
N 0.818 0.752 0.612
N 0.499 0.224 0.779
N 0.502 0.778 0.217 |
Below is a description of a material. | The chemical formula is: ScSi2P.
The XRD pattern shows main peaks at: 27.9°(0.16), 33.1°(0.2), 33.7°(0.23), 35.0°(0.83), 35.3°(0.58), 36.0°(0.78), 39.3°(0.98), 40.2°(1.0), 43.4°(0.24), 44.2°(0.3), 47.8°(0.15), 48.7°(0.13), 50.2°(0.21), 50.8°(0.5), 56.4°(0.14), 57.3°(0.17), 71.5°(0.16), 74.4°(0.14), 84.3°(0.11), 85.3°(0... | JVASP-161643 | 3.66 5.19 3.68
77 88 79
Sc 0.894 0.471 0.533
Si 0.295 0.906 0.452
Si 0.788 0.908 0.922
P 0.432 0.312 0.076 |
Below is a description of a material. | The chemical formula is: SiN2.
The XRD pattern shows main peaks at: 24.6°(0.17), 30.1°(1.0), 39.3°(0.1), 41.1°(0.39), 51.8°(0.36), 61.2°(0.15), 62.7°(0.09), 68.0°(0.07), 69.7°(0.19), 76.1°(0.09), 77.7°(0.1), 87.1°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-137926 | 3.62 2.96 2.76
90 89 90
Si 0.133 0.000 0.133
N -0.552 0.000 -0.367
N -0.181 0.000 0.633 |
Below is a description of a material. | The chemical formula is: BeCoSiRh.
The XRD pattern shows main peaks at: 27.8°(0.15), 32.2°(0.55), 46.1°(1.0), 57.3°(0.14), 67.3°(0.15), 76.5°(0.18), 85.4°(0.31).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-190174 | 3.94 3.94 3.94
60 60 60
Co -0.000 -0.000 0.000
Si 0.750 0.750 0.750
Rh 0.500 0.500 0.500
Be 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: Te2I.
The XRD pattern shows main peaks at: 12.4°(0.18), 24.9°(0.26), 25.4°(1.0), 28.3°(0.68), 34.8°(0.39), 38.4°(0.8), 43.4°(0.06), 45.4°(0.35), 47.8°(0.23), 52.4°(0.07), 56.5°(0.18), 58.5°(0.08), 64.8°(0.28), 69.9°(0.1), 72.5°(0.09), 79.0°(0.1), 80.5°(0.07), 82.8°(0.06), 86.1°(0.05).
Generate ... | JVASP-135210 | 7.59 3.15 5.16
90 109 90
Te -0.134 0.000 -0.168
Te 0.068 0.000 0.434
I 0.467 0.000 0.133 |
Below is a description of a material. | The chemical formula is: Er4CdS7.
The XRD pattern shows main peaks at: 24.5°(1.0), 25.3°(0.13), 26.5°(0.22), 28.4°(0.41), 31.9°(0.25), 32.4°(0.21), 33.5°(0.31), 34.9°(0.22), 36.8°(0.1), 39.3°(0.16), 40.6°(0.17), 42.6°(0.2), 44.4°(0.16), 45.6°(0.09), 47.0°(0.1), 48.0°(0.36), 54.6°(0.23), 56.7°(0.08), 64.6°(0.08), 70.2°(... | JVASP-142798 | 6.57 6.57 11.53
75 75 33
Er 0.701 0.701 0.190
Er 0.315 0.315 0.791
Er 0.007 0.007 0.002
Er 0.111 0.111 0.573
Cd 0.883 0.883 0.418
S 0.735 0.735 0.646
S 0.252 0.252 0.350
S 0.347 0.347 0.048
S 0.666 0.666 0.945
S 0.042 0.042 0.218
S 0.965 0.965 0.789
S 0.477 0.477 0.531 |
Below is a description of a material. | The chemical formula is: Pm3Nd.
The XRD pattern shows main peaks at: 30.2°(1.0), 35.1°(0.49), 50.4°(0.38), 59.9°(0.45), 62.9°(0.13), 74.1°(0.06), 82.0°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-99833 | 6.27 6.27 6.27
131 131 70
Pm 0.750 0.250 0.500
Pm 0.250 0.750 0.500
Pm 0.500 0.500 0.000
Nd 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: ZnGeO2.
The XRD pattern shows main peaks at: 16.7°(0.2), 33.6°(1.0), 41.3°(0.65), 44.9°(0.06), 51.7°(0.06), 54.4°(0.42), 59.9°(0.19), 60.3°(0.2), 68.2°(0.08), 70.5°(0.33).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-186562 | 3.09 3.09 5.30
90 90 90
Zn 0.500 0.500 0.469
Ge 0.000 -0.000 0.026
O 0.000 -0.000 0.427
O 0.500 0.500 0.089 |
Below is a description of a material. | The chemical formula is: Rb2NaYBr6.
The XRD pattern shows main peaks at: 13.7°(0.1), 15.9°(0.11), 27.7°(0.99), 32.0°(1.0), 46.0°(0.69), 54.5°(0.46), 57.1°(0.27), 67.0°(0.12), 76.2°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-110386 | 7.90 7.90 7.90
60 60 59
Rb 0.750 0.750 0.750
Rb 0.250 0.250 0.250
Na 0.500 0.500 0.500
Y 0.000 0.000 0.000
Br 0.753 0.247 0.247
Br 0.247 0.247 0.753
Br 0.247 0.753 0.753
Br 0.247 0.753 0.247
Br 0.753 0.247 0.753
Br 0.753 0.753 0.247 |
Below is a description of a material. | The chemical formula is: Li3V4S8.
The XRD pattern shows main peaks at: 13.9°(1.0), 32.2°(0.29), 33.6°(0.23), 38.4°(0.54), 41.1°(0.2), 44.0°(0.08), 46.9°(0.19), 55.2°(0.07), 55.8°(0.16), 56.7°(0.06), 57.9°(0.06), 59.2°(0.09), 71.1°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates an... | JVASP-141235 | 6.65 7.90 6.61
55 59 65
Li 0.377 0.474 0.217
Li 0.932 0.474 0.217
Li 0.395 0.473 0.737
V -0.030 0.977 0.083
V 0.946 0.983 0.543
V 0.528 0.983 0.543
V 0.512 0.990 0.986
S 0.282 0.185 0.252
S 0.769 0.230 0.231
S 0.694 0.764 0.334
S 0.209 0.764 0.334
S 0.269 0.210 0.741
S 0.780 0.210 0.741
S 0.195 0.781 0.828
S 0.711 0.73... |
Below is a description of a material. | The chemical formula is: LiSiIr2.
The XRD pattern shows main peaks at: 30.7°(1.0), 43.9°(0.97), 54.6°(0.25), 63.9°(0.18), 72.5°(0.32), 80.8°(0.38).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-39857 | 4.12 4.12 4.12
60 60 60
Li 0.250 0.250 0.250
Si 0.750 0.750 0.750
Ir 0.000 0.000 0.000
Ir 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Ba3SrS.
The XRD pattern shows main peaks at: 14.0°(0.09), 24.4°(1.0), 28.3°(0.74), 40.4°(0.52), 47.8°(0.52), 50.1°(0.19), 58.5°(0.09), 64.4°(0.2), 66.2°(0.23), 73.5°(0.18), 78.8°(0.16), 87.5°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-182546 | 6.31 6.31 6.31
90 90 90
Ba 0.500 0.000 0.500
Ba 0.000 0.500 0.500
Ba 0.500 0.500 0.000
Sr 0.000 0.000 0.000
S 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Rb3ClO.
The XRD pattern shows main peaks at: 16.4°(0.15), 28.5°(1.0), 33.1°(0.57), 37.1°(0.09), 47.4°(0.41), 56.3°(0.43), 59.0°(0.14), 69.3°(0.06), 76.6°(0.17), 79.0°(0.19), 88.3°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-49965 | 5.42 5.42 5.42
90 90 90
Rb 0.000 0.000 0.500
Rb 0.000 0.500 0.000
Rb 0.500 0.000 0.000
Cl 0.500 0.500 0.500
O 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: MnH2O2.
The XRD pattern shows main peaks at: 19.8°(1.0), 33.2°(0.18), 35.5°(0.09), 38.4°(0.06), 39.4°(0.6), 40.1°(0.34), 52.3°(0.13), 53.3°(0.1), 53.8°(0.2), 56.1°(0.06), 57.7°(0.1), 61.6°(0.08), 62.3°(0.12), 71.3°(0.08).
Generate atomic structure description with lattice lengths, angles, coord... | JVASP-29808 | 3.00 3.20 4.49
89 92 122
Mn 0.013 0.925 0.978
H 0.650 0.244 0.534
H 0.375 0.606 0.422
O 0.685 0.261 0.752
O 0.340 0.589 0.204 |
Below is a description of a material. | The chemical formula is: Re3B.
The XRD pattern shows main peaks at: 18.8°(0.05), 30.8°(0.12), 34.5°(0.45), 38.2°(0.39), 40.1°(0.17), 40.6°(0.87), 41.4°(1.0), 42.3°(0.37), 44.1°(0.46), 45.7°(0.1), 49.4°(0.21), 60.2°(0.14), 64.0°(0.33), 70.8°(0.28), 72.5°(0.16), 77.0°(0.11), 78.2°(0.15), 79.2°(0.28), 86.7°(0.06).
Generat... | JVASP-169173 | 2.91 4.94 7.38
90 90 107
Re 0.867 0.735 0.434
Re 0.133 0.265 0.566
Re 0.424 0.847 0.750
Re 0.576 0.153 0.250
Re 0.867 0.735 0.066
Re 0.133 0.265 0.934
B 0.255 0.510 0.250
B 0.745 0.490 0.750 |
Below is a description of a material. | The chemical formula is: YAgO3.
The XRD pattern shows main peaks at: 28.7°(1.0), 35.4°(0.06), 41.1°(0.34), 50.9°(0.42), 59.5°(0.21), 67.4°(0.17), 74.8°(0.06), 82.0°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-93245 | 4.39 4.39 4.39
90 90 90
Y 0.500 0.500 0.500
Ag 0.000 0.000 0.000
O 0.500 0.000 0.500
O 0.000 0.500 0.500
O 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: Li2MnBe.
The XRD pattern shows main peaks at: 20.8°(0.7), 29.8°(1.0), 39.8°(0.24), 42.5°(0.47), 45.3°(0.63), 57.5°(0.15), 59.5°(0.13), 61.6°(0.11), 66.1°(0.17), 74.0°(0.22), 79.6°(0.11), 89.3°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-71943 | 4.83 4.83 4.83
141 141 55
Li 0.000 0.000 0.000
Li 0.500 0.500 0.000
Mn 0.250 0.750 0.500
Be 0.750 0.250 0.500 |
Below is a description of a material. | The chemical formula is: BaLi4Cr.
The XRD pattern shows main peaks at: 19.1°(1.0), 22.1°(0.19), 31.5°(0.92), 37.1°(0.77), 38.8°(0.06), 45.1°(0.12), 49.5°(0.23), 50.8°(0.08), 56.1°(0.33), 59.8°(0.25), 65.8°(0.11), 69.2°(0.18), 74.7°(0.14), 78.0°(0.09), 86.5°(0.11).
Generate atomic structure description with lattice leng... | JVASP-65747 | 5.68 5.68 5.68
60 60 60
Ba 0.250 0.250 0.250
Li 0.110 0.630 0.630
Li 0.630 0.630 0.630
Li 0.630 0.110 0.630
Li 0.630 0.630 0.110
Cr 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: FeHO2.
The XRD pattern shows main peaks at: 21.1°(1.0), 28.0°(0.61), 36.1°(0.15), 36.8°(0.33), 37.6°(0.91), 38.6°(0.3), 42.1°(0.27), 43.0°(0.14), 48.8°(0.2), 49.5°(0.09), 50.3°(0.15), 53.6°(0.07), 57.1°(0.23), 59.5°(0.36), 61.4°(0.13), 64.4°(0.15), 66.2°(0.19), 66.8°(0.24), 67.4°(0.18), 71.6°(0... | JVASP-29792 | 8.48 2.89 4.85
90 90 90
Fe 0.646 0.250 0.890
Fe 0.146 0.250 -0.390
Fe 0.354 0.750 0.110
Fe 0.854 0.750 0.390
H 0.576 0.250 0.375
H 0.076 0.250 0.125
H 0.424 0.750 0.625
H -0.076 0.750 0.875
O 0.242 0.250 -0.044
O 0.742 0.250 0.544
O 0.758 0.750 0.044
O 0.258 0.750 0.456
O 0.501 0.250 0.213
O 0.001 0.250 0.287
O 0.499 0... |
Below is a description of a material. | The chemical formula is: Pr2In.
The XRD pattern shows main peaks at: 25.6°(0.05), 31.7°(0.94), 32.1°(1.0), 41.5°(0.08), 45.7°(0.33), 52.6°(0.08), 57.0°(0.35), 63.0°(0.26), 67.1°(0.11), 76.1°(0.13), 81.4°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-17528 | 5.58 5.58 6.96
90 90 120
Pr 0.000 0.000 0.500
Pr 0.000 0.000 0.000
Pr 0.333 0.667 0.250
Pr 0.667 0.333 0.750
In 0.667 0.333 0.250
In 0.333 0.667 0.750 |
Below is a description of a material. | The chemical formula is: RbTiF3.
The XRD pattern shows main peaks at: 29.8°(1.0), 36.8°(0.3), 42.7°(0.56), 53.0°(0.43), 62.0°(0.33), 70.3°(0.18), 74.3°(0.09), 78.2°(0.1), 85.9°(0.22).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-179382 | 4.23 4.23 4.23
90 90 90
Rb 0.000 0.000 0.000
Ti 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: BiTeBr.
The XRD pattern shows main peaks at: 13.5°(0.3), 23.7°(0.09), 27.4°(1.0), 36.3°(0.56), 41.1°(0.06), 41.7°(0.31), 44.1°(0.1), 48.1°(0.13), 50.6°(0.17), 56.5°(0.16), 60.1°(0.12), 67.7°(0.14), 72.1°(0.11), 72.7°(0.15), 76.7°(0.06), 80.8°(0.06).
Generate atomic structure description with la... | JVASP-8781 | 4.33 4.33 6.58
90 90 119
Bi 0.000 0.000 0.007
Te 0.667 0.333 0.273
Br 0.333 0.667 0.720 |
Below is a description of a material. | The chemical formula is: KTl2In.
The XRD pattern shows main peaks at: 13.8°(0.55), 19.0°(0.33), 27.4°(0.15), 27.8°(0.47), 30.8°(0.38), 32.6°(1.0), 34.5°(0.19), 35.0°(0.74), 35.9°(0.45), 38.6°(0.09), 39.5°(0.4), 46.0°(0.24), 48.0°(0.11), 50.6°(0.22), 51.1°(0.15), 53.6°(0.1), 62.5°(0.16), 64.0°(0.27), 66.2°(0.11), 68.4°(... | JVASP-80199 | 14.05 8.32 8.32
35 21 21
K 0.000 0.000 0.000
Tl 0.659 0.056 0.056
Tl 0.341 -0.056 -0.056
In 0.500 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Re3Ni.
The XRD pattern shows main peaks at: 18.9°(0.05), 27.8°(0.11), 33.0°(0.05), 38.3°(0.24), 41.2°(0.27), 43.7°(1.0), 57.5°(0.15), 69.3°(0.17), 76.9°(0.18), 83.9°(0.21), 85.6°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-91990 | 5.43 5.43 4.38
90 90 120
Re 0.833 0.167 0.750
Re 0.333 0.167 0.750
Re 0.833 0.667 0.750
Re 0.167 0.833 0.250
Re 0.667 0.833 0.250
Re 0.167 0.333 0.250
Ni 0.667 0.333 0.250
Ni 0.333 0.667 0.750 |
Below is a description of a material. | The chemical formula is: Al2CuAu.
The XRD pattern shows main peaks at: 24.8°(0.43), 28.7°(0.63), 41.0°(1.0), 48.5°(0.21), 50.9°(0.16), 59.4°(0.17), 65.4°(0.1), 67.3°(0.22), 74.8°(0.36), 80.2°(0.08), 89.0°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-181419 | 4.40 4.40 4.40
60 60 60
Al 0.250 0.250 0.250
Al 0.750 0.750 0.750
Cu -0.000 -0.000 0.000
Au 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Ca2La2MgTi3O12.
The XRD pattern shows main peaks at: 19.7°(0.39), 22.8°(0.13), 25.5°(0.07), 32.5°(1.0), 38.4°(0.21), 39.8°(0.12), 40.2°(0.13), 46.6°(0.34), 58.1°(0.27), 68.1°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-178575 | 5.49 5.56 7.78
90 89 90
Ca 0.506 0.542 0.243
Ca 0.010 0.954 0.759
La 0.990 0.039 0.239
La 0.495 0.471 0.761
Mg -0.000 0.500 0.001
Ti 0.491 0.002 0.502
Ti 0.991 0.507 0.497
Ti 0.500 -0.001 0.998
O 0.429 0.980 0.254
O 0.084 0.480 0.261
O 0.584 0.014 0.746
O 0.930 0.520 0.740
O 0.780 0.794 0.036
O 0.710 0.288 0.457
O 0.21... |
Below is a description of a material. | The chemical formula is: SmGa2Pd2.
The XRD pattern shows main peaks at: 33.3°(0.43), 34.4°(1.0), 42.4°(0.46), 46.1°(0.12), 48.6°(0.16), 55.0°(0.2), 55.7°(0.07), 61.6°(0.27), 72.5°(0.22), 87.9°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-18798 | 4.26 4.26 6.02
110 110 90
Sm 0.000 0.000 0.000
Ga 0.621 0.621 0.241
Ga 0.379 0.379 0.759
Pd 0.250 0.750 0.500
Pd 0.750 0.250 0.500 |
Below is a description of a material. | The chemical formula is: PtRh7.
The XRD pattern shows main peaks at: 40.6°(1.0), 47.2°(0.48), 69.0°(0.31), 83.2°(0.35), 87.8°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-191814 | 5.44 5.44 5.44
60 60 59
Pt 0.000 0.000 -0.000
Rh 0.500 0.500 -0.000
Rh 0.000 0.500 0.500
Rh 0.500 0.000 0.500
Rh 0.000 0.500 -0.000
Rh 0.500 0.000 -0.000
Rh -0.000 0.000 0.500
Rh 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: TiZnRh2.
The XRD pattern shows main peaks at: 28.8°(0.12), 30.1°(0.05), 41.2°(0.59), 42.1°(1.0), 59.7°(0.18), 62.6°(0.07), 75.7°(0.34), 77.7°(0.17), 89.4°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-192015 | 3.10 3.10 5.94
90 90 90
Zn 0.500 0.500 0.500
Rh -0.000 -0.000 0.753
Rh 0.000 0.000 0.247
Ti 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: CaBeBr.
The XRD pattern shows main peaks at: 11.3°(0.5), 22.8°(0.24), 23.9°(1.0), 26.6°(0.28), 33.3°(0.35), 34.1°(0.41), 34.5°(0.16), 36.1°(0.12), 41.4°(0.19), 42.4°(0.37), 49.3°(0.23), 54.7°(0.08), 55.2°(0.17), 56.6°(0.07), 60.5°(0.12), 61.3°(0.12), 64.8°(0.08), 66.8°(0.17), 82.0°(0.07), 85.3°... | JVASP-117631 | 3.72 3.72 7.81
90 90 90
Ca 0.000 0.000 0.019
Be 0.000 0.000 0.383
Br 0.000 0.000 0.649 |
Below is a description of a material. | The chemical formula is: SmYTl2.
The XRD pattern shows main peaks at: 23.4°(0.07), 33.3°(1.0), 47.8°(0.18), 59.5°(0.38), 69.9°(0.12), 79.6°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-37267 | 5.38 5.38 5.38
60 60 60
Sm 0.250 0.250 0.250
Y 0.750 0.750 0.750
Tl 0.500 0.500 0.500
Tl 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: SrB11.
The XRD pattern shows main peaks at: 15.7°(0.12), 20.3°(0.28), 21.9°(0.59), 23.0°(1.0), 23.7°(0.55), 27.7°(0.2), 30.6°(0.49), 31.8°(0.19), 33.1°(0.43), 35.0°(0.17), 35.7°(0.28), 37.9°(0.36), 40.6°(0.56), 41.2°(0.12), 42.8°(0.15), 44.1°(0.17), 44.6°(0.17), 46.3°(0.11), 47.1°(0.24), 48.5°(... | JVASP-131495 | 5.05 7.76 5.05
52 57 52
Sr 0.024 0.586 0.024
B 0.016 0.031 0.657
B 0.657 0.031 0.016
B 0.351 0.009 -0.003
B 0.956 0.239 0.956
B -0.003 0.009 0.351
B 0.219 0.773 0.219
B 0.228 0.173 0.597
B 0.597 0.173 0.228
B 0.426 0.850 0.781
B 0.749 0.278 0.749
B 0.781 0.850 0.426 |
Below is a description of a material. | The chemical formula is: RbTlBr3.
The XRD pattern shows main peaks at: 15.4°(0.64), 21.8°(0.68), 26.8°(0.12), 31.0°(1.0), 34.8°(0.37), 38.2°(0.33), 44.4°(0.73), 47.3°(0.19), 50.0°(0.16), 52.6°(0.05), 55.1°(0.24), 57.6°(0.09), 60.0°(0.18), 64.6°(0.12), 66.9°(0.11), 69.1°(0.08), 73.4°(0.33), 75.5°(0.09), 81.8°(0.24), 85.... | JVASP-114664 | 5.77 5.77 5.77
90 90 90
Rb 0.000 0.000 0.000
Tl 0.500 0.500 0.500
Br 0.000 0.500 0.500
Br 0.500 0.000 0.500
Br 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: Li2MnF4.
The XRD pattern shows main peaks at: 17.4°(0.56), 17.9°(0.83), 24.1°(0.65), 24.9°(0.88), 30.7°(0.34), 33.6°(0.14), 34.2°(0.43), 36.0°(0.14), 39.2°(0.64), 39.6°(1.0), 47.7°(0.22), 48.9°(0.13), 49.6°(0.16), 50.3°(0.3), 52.0°(0.42), 55.5°(0.28), 61.5°(0.33), 63.0°(0.14), 67.7°(0.16), 70.3... | JVASP-44051 | 5.83 5.83 5.35
86 93 121
Li 0.351 0.944 0.784
Li 0.056 0.649 0.284
Li 0.944 0.351 0.716
Li 0.649 0.056 0.216
Mn 0.664 0.664 0.750
Mn 0.336 0.336 0.250
F 0.721 0.019 0.885
F 0.981 0.279 0.385
F 0.268 0.501 0.910
F 0.499 0.732 0.410
F 0.501 0.268 0.590
F 0.732 0.499 0.090
F 0.019 0.721 0.615
F 0.279 0.981 0.115 |
Below is a description of a material. | The chemical formula is: CuBiW2O8.
The XRD pattern shows main peaks at: 18.2°(0.41), 19.7°(0.12), 27.0°(1.0), 29.4°(0.37), 29.8°(0.55), 30.7°(0.48), 33.7°(0.12), 34.4°(0.26), 35.6°(0.3), 41.2°(0.1), 45.3°(0.12), 46.1°(0.15), 47.6°(0.23), 49.7°(0.14), 50.1°(0.12), 50.8°(0.17), 51.6°(0.17), 55.4°(0.11), 60.3°(0.09), 61.4... | JVASP-57291 | 5.05 6.11 6.18
109 91 112
Cu 0.861 0.901 0.789
Bi 0.362 0.901 0.289
W 0.117 0.423 0.621
W 0.606 0.380 0.957
O 0.330 0.211 0.626
O 0.824 0.199 0.811
O 0.362 0.649 0.512
O 0.857 0.628 0.218
O 0.866 0.174 0.360
O 0.393 0.591 0.951
O 0.899 0.604 0.766
O 0.362 0.154 0.065 |
Below is a description of a material. | The chemical formula is: BaAgAu2.
The XRD pattern shows main peaks at: 12.8°(0.21), 26.6°(0.09), 33.0°(0.75), 34.9°(1.0), 35.5°(0.08), 45.9°(0.1), 47.4°(0.26), 52.0°(0.09), 60.2°(0.4), 63.0°(0.05), 63.8°(0.1), 68.1°(0.06), 69.2°(0.08), 72.6°(0.06), 73.7°(0.07), 78.9°(0.11), 79.9°(0.09).
Generate atomic structure descri... | JVASP-182576 | 3.84 3.84 6.92
90 90 90
Ba 0.500 0.500 0.612
Ag 0.000 0.000 0.954
Au 0.000 0.000 0.349
Au 0.500 0.500 0.094 |
Below is a description of a material. | The chemical formula is: SmMgF4.
The XRD pattern shows main peaks at: 11.6°(0.65), 19.6°(0.36), 23.4°(0.07), 28.5°(1.0), 29.0°(0.52), 31.6°(0.18), 33.8°(0.06), 35.4°(0.18), 39.9°(0.21), 40.9°(0.16), 43.4°(0.49), 46.9°(0.19), 49.9°(0.32), 50.8°(0.26), 54.4°(0.22), 55.6°(0.22), 57.6°(0.07), 66.1°(0.07), 70.4°(0.09), 74.5... | JVASP-29739 | 3.88 5.66 7.85
90 104 90
Sm 0.674 0.750 0.347
Sm 0.326 0.250 0.653
Mg 0.084 0.250 0.167
Mg 0.916 0.750 0.833
F 0.000 0.000 0.000
F 0.000 0.500 0.000
F 0.192 0.495 0.384
F 0.808 0.505 0.616
F 0.386 0.750 0.773
F 0.614 0.250 0.227
F 0.192 0.005 0.384
F 0.808 0.995 0.616 |
Below is a description of a material. | The chemical formula is: TaBeSe2.
The XRD pattern shows main peaks at: 12.5°(1.0), 25.1°(0.23), 27.7°(0.44), 30.5°(0.65), 37.7°(0.76), 39.6°(0.67), 41.7°(0.21), 47.7°(0.65), 56.1°(0.16), 57.2°(0.23), 58.8°(0.08), 63.4°(0.06), 64.7°(0.08), 66.2°(0.14), 66.8°(0.07), 70.6°(0.26), 77.6°(0.3), 79.6°(0.13), 85.2°(0.07).
Gene... | JVASP-186025 | 3.22 3.22 7.10
90 90 90
Ta 0.500 0.500 0.650
Be -0.000 0.000 0.900
Se -0.000 0.000 0.446
Se 0.500 0.500 0.013 |
Below is a description of a material. | The chemical formula is: SbClF.
The XRD pattern shows main peaks at: 22.3°(1.0), 26.8°(0.76), 35.1°(0.6), 39.1°(0.85), 45.4°(0.15), 48.0°(0.81), 53.6°(0.19), 55.3°(0.1), 60.4°(0.13), 61.5°(0.13), 68.3°(0.2), 69.8°(0.28), 70.8°(0.13), 74.3°(0.05), 77.2°(0.19), 84.0°(0.06), 87.3°(0.11).
Generate atomic structure descript... | JVASP-136342 | 4.61 4.61 3.32
90 90 120
Sb 0.667 0.333 0.000
Cl 0.000 0.000 0.000
F 0.333 0.667 0.000 |
Below is a description of a material. | The chemical formula is: HoGe2Rh2.
The XRD pattern shows main peaks at: 30.6°(0.05), 33.9°(0.51), 34.8°(0.09), 35.3°(1.0), 43.8°(0.48), 47.0°(0.12), 49.4°(0.21), 56.6°(0.23), 57.2°(0.08), 62.7°(0.16), 63.7°(0.16), 73.5°(0.05), 75.0°(0.22), 89.7°(0.12).
Generate atomic structure description with lattice lengths, angles,... | JVASP-56273 | 4.13 4.13 5.93
110 110 90
Ho 0.000 0.000 0.000
Ge 0.379 0.379 0.758
Ge 0.621 0.621 0.242
Rh 0.250 0.750 0.500
Rh 0.750 0.250 0.500 |
Below is a description of a material. | The chemical formula is: Te2MoW3Se6.
The XRD pattern shows main peaks at: 2.3°(1.0), 4.6°(0.35), 6.9°(0.05), 11.5°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-28912 | 3.38 3.38 38.36
90 90 120
Te 0.333 0.667 0.707
Te 0.333 0.667 0.608
Mo 0.667 0.333 0.282
W 0.333 0.667 0.094
W 0.333 0.667 0.470
W 0.667 0.333 0.658
Se 0.333 0.667 0.325
Se 0.667 0.333 0.051
Se 0.667 0.333 0.426
Se 0.667 0.333 0.137
Se 0.667 0.333 0.513
Se 0.333 0.667 0.239 |
Below is a description of a material. | The chemical formula is: Be2PdRu.
The XRD pattern shows main peaks at: 32.0°(0.94), 45.6°(1.0), 56.8°(0.38), 66.2°(0.07), 66.8°(0.15), 75.4°(0.15), 75.9°(0.24), 84.2°(0.16), 84.6°(0.29).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-71493 | 2.80 2.80 5.65
90 90 90
Be 0.000 0.000 0.738
Be 0.000 0.000 0.262
Pd 0.500 0.500 0.000
Ru 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Yb2BiPb.
The XRD pattern shows main peaks at: 32.5°(1.0), 46.6°(0.17), 58.0°(0.4), 68.1°(0.12), 77.5°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-157048 | 5.51 5.51 5.51
60 60 60
Yb 0.000 0.000 0.000
Yb 0.500 0.500 0.500
Bi 0.250 0.250 0.250
Pb 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: LiPbS2.
The XRD pattern shows main peaks at: 14.1°(0.97), 26.7°(0.82), 27.9°(0.39), 28.5°(0.13), 32.5°(1.0), 35.6°(0.49), 42.9°(0.18), 43.4°(0.1), 46.3°(0.36), 47.0°(0.31), 48.6°(0.32), 54.2°(0.13), 55.2°(0.13), 57.7°(0.19), 59.7°(0.08), 65.3°(0.19), 68.1°(0.08), 76.9°(0.16), 78.1°(0.15), 86.3°... | JVASP-139395 | 6.66 6.66 6.66
34 34 34
Li 0.500 0.500 0.500
Pb 0.000 0.000 0.000
S 0.241 0.241 0.241
S 0.759 0.759 0.759 |
Below is a description of a material. | The chemical formula is: Ba3Ca.
The XRD pattern shows main peaks at: 17.5°(0.13), 24.1°(0.22), 25.5°(0.26), 27.4°(1.0), 35.4°(0.17), 42.5°(0.21), 46.2°(0.22), 50.2°(0.25), 51.3°(0.17), 64.5°(0.09), 69.7°(0.1), 72.4°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-109926 | 8.51 8.51 6.98
90 90 120
Ba 0.168 0.337 0.250
Ba 0.663 0.832 0.250
Ba 0.168 0.832 0.250
Ba 0.832 0.663 0.750
Ba 0.337 0.168 0.750
Ba 0.832 0.168 0.750
Ca 0.333 0.667 0.750
Ca 0.667 0.333 0.250 |
Below is a description of a material. | The chemical formula is: AlIr.
The XRD pattern shows main peaks at: 29.6°(0.68), 42.3°(1.0), 52.4°(0.18), 61.4°(0.16), 69.6°(0.25), 77.4°(0.31).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-20224 | 3.02 3.02 3.02
90 90 90
Al 0.000 0.000 0.000
Ir 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: KCaI3.
The XRD pattern shows main peaks at: 21.8°(0.19), 23.7°(0.21), 24.9°(0.23), 25.6°(0.74), 25.9°(1.0), 26.5°(0.74), 27.6°(0.74), 28.3°(0.16), 30.8°(0.59), 37.2°(0.13), 39.2°(0.49), 39.6°(0.29), 43.0°(0.39), 44.2°(0.19), 46.8°(0.2), 47.6°(0.29), 48.0°(0.34), 51.1°(0.15), 57.0°(0.17), 64.1°(... | JVASP-104641 | 7.84 7.84 11.61
90 90 146
K 0.251 0.749 0.250
K 0.749 0.251 0.750
Ca 0.000 0.000 0.000
Ca 0.000 0.000 0.500
I 0.638 0.362 0.057
I 0.362 0.638 0.943
I 0.362 0.638 0.557
I 0.638 0.362 0.443
I 0.927 0.073 0.250
I 0.073 0.927 0.750 |
Below is a description of a material. | The chemical formula is: Cu3Rh.
The XRD pattern shows main peaks at: 42.3°(1.0), 48.7°(0.34), 50.4°(0.16), 71.4°(0.11), 72.7°(0.19), 86.7°(0.24), 89.2°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-100170 | 4.48 4.48 4.48
130 130 72
Cu 0.750 0.250 0.500
Cu 0.250 0.750 0.500
Cu 0.500 0.500 -0.000
Rh 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Li4Ti3O8.
The XRD pattern shows main peaks at: 18.6°(1.0), 21.5°(0.2), 30.6°(0.11), 35.9°(0.29), 43.7°(0.97), 47.9°(0.08), 58.0°(0.12), 63.4°(0.23), 63.8°(0.23), 80.1°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-50732 | 5.87 5.84 5.87
120 60 120
Li 0.125 0.875 0.625
Li 0.125 0.875 0.125
Li 0.625 0.875 0.625
Li 0.625 0.875 0.125
Ti 0.125 0.375 0.625
Ti 0.625 0.375 0.625
Ti 0.625 0.375 0.125
O 0.379 0.136 0.379
O 0.409 0.149 0.870
O 0.380 0.601 0.841
O 0.380 0.601 0.380
O 0.870 0.149 0.870
O 0.870 0.149 0.409
O 0.841 0.601 0.380
O 0.871... |
Below is a description of a material. | The chemical formula is: RbNiF.
The XRD pattern shows main peaks at: 21.6°(0.49), 28.6°(0.72), 36.2°(0.27), 37.9°(0.97), 44.1°(0.08), 48.2°(1.0), 53.4°(0.09), 59.3°(0.08), 67.4°(0.1), 68.5°(0.16), 72.6°(0.25), 75.9°(0.24), 81.1°(0.1), 88.1°(0.15).
Generate atomic structure description with lattice lengths, angles, coor... | JVASP-134811 | 4.74 4.74 3.12
90 90 119
Rb 0.667 0.333 0.000
Ni 0.333 0.667 0.000
F 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: ErSn3.
The XRD pattern shows main peaks at: 33.0°(1.0), 38.3°(0.5), 55.3°(0.33), 65.9°(0.42), 69.2°(0.12), 82.0°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-16508 | 4.70 4.70 4.70
90 90 90
Er 0.000 0.000 0.000
Sn 0.500 0.000 0.500
Sn 0.000 0.500 0.500
Sn 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: Zn2RhAu.
The XRD pattern shows main peaks at: 24.9°(0.1), 28.9°(0.16), 41.3°(1.0), 59.8°(0.17), 75.3°(0.3), 89.7°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-41137 | 4.37 4.37 4.37
60 60 59
Zn 0.000 0.000 0.000
Zn 0.500 0.500 0.500
Rh 0.750 0.750 0.750
Au 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: TlNiCl3.
The XRD pattern shows main peaks at: 21.4°(0.88), 26.1°(0.71), 30.6°(0.18), 34.0°(1.0), 40.7°(0.05), 43.5°(0.37), 46.1°(0.15), 49.3°(0.1), 51.5°(0.21), 53.7°(0.24), 56.6°(0.22), 58.5°(0.09), 63.1°(0.13), 65.1°(0.14), 70.1°(0.06), 88.0°(0.12).
Generate atomic structure description with ... | JVASP-110487 | 6.83 6.83 5.84
90 90 120
Tl 0.333 0.667 0.750
Tl 0.667 0.333 0.250
Ni 0.000 0.000 0.000
Ni 0.000 0.000 0.500
Cl 0.161 0.322 0.250
Cl 0.839 0.678 0.750
Cl 0.678 0.839 0.250
Cl 0.322 0.161 0.750
Cl 0.161 0.839 0.250
Cl 0.839 0.161 0.750 |
Below is a description of a material. | The chemical formula is: ScRu3C.
The XRD pattern shows main peaks at: 21.8°(0.14), 31.0°(0.05), 38.2°(1.0), 44.4°(0.54), 50.0°(0.06), 64.6°(0.32), 77.6°(0.33), 81.8°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-15750 | 4.08 4.08 4.08
90 90 90
Sc 0.000 0.000 0.000
Ru 0.000 0.500 0.500
Ru 0.500 0.000 0.500
Ru 0.500 0.500 0.000
C 0.500 0.500 0.500 |
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