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: PbS.
The XRD pattern shows main peaks at: 23.9°(1.0), 27.5°(0.69), 29.0°(0.58), 30.0°(0.62), 30.4°(0.46), 30.9°(0.19), 37.7°(0.17), 42.2°(0.45), 43.2°(0.34), 46.3°(0.16), 46.9°(0.17), 48.2°(0.11), 48.9°(0.23), 49.7°(0.16), 51.7°(0.15), 52.4°(0.15), 54.2°(0.09), 56.7°(0.18), 58.1°(0.1), 70.2°(0.... | JVASP-79645 | 4.23 4.23 6.30
81 81 89
Pb 0.213 0.213 0.234
Pb 0.787 0.787 0.766
S 0.691 0.691 0.213
S 0.309 0.309 0.787 |
Below is a description of a material. | The chemical formula is: KP2Ir2.
The XRD pattern shows main peaks at: 13.7°(1.0), 27.6°(0.19), 31.9°(0.17), 34.9°(0.53), 42.7°(0.3), 45.7°(0.18), 48.0°(0.17), 53.7°(0.22), 54.3°(0.13), 66.7°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-109112 | 7.04 7.04 7.04
147 147 47
K 0.000 0.000 0.000
P 0.351 0.351 -0.000
P 0.649 0.649 0.000
Ir 0.750 0.250 0.500
Ir 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: U3Ga2Ge3.
The XRD pattern shows main peaks at: 14.1°(0.17), 16.3°(0.22), 17.0°(0.35), 23.7°(0.11), 27.2°(0.16), 33.0°(0.09), 34.5°(0.05), 35.8°(0.51), 36.1°(0.8), 36.7°(1.0), 38.1°(0.09), 46.3°(0.16), 48.3°(0.08), 50.4°(0.09), 69.2°(0.2), 71.0°(0.14).
Generate atomic structure description with ... | JVASP-146424 | 7.85 7.85 7.69
57 57 87
U 0.438 0.938 0.415
U 0.147 0.647 0.415
U 0.341 0.526 0.633
U 0.026 0.841 0.633
U 0.518 0.018 0.664
U 0.818 0.318 0.664
Ga 0.507 0.507 0.986
Ga 0.007 0.007 0.986
Ga 0.738 0.509 0.253
Ga 0.009 0.238 0.253
Ge 0.631 0.833 0.036
Ge 0.333 0.131 0.036
Ge 0.828 0.328 0.027
Ge 0.145 0.645 0.027
Ge 0.257... |
Below is a description of a material. | The chemical formula is: ZnNiS.
The XRD pattern shows main peaks at: 27.3°(0.09), 37.5°(1.0), 48.3°(0.42), 51.6°(0.11), 62.7°(0.21), 73.4°(0.21), 82.9°(0.18), 87.9°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-184436 | 3.77 3.77 3.55
90 90 120
Zn -0.000 0.000 0.000
Ni 0.333 0.667 0.500
S 0.667 0.333 0.500 |
Below is a description of a material. | The chemical formula is: BaPd.
The XRD pattern shows main peaks at: 20.0°(0.14), 25.7°(0.94), 35.0°(1.0), 38.2°(0.76), 43.9°(0.24), 52.7°(0.31), 53.5°(0.13), 57.3°(0.21), 62.8°(0.17), 64.9°(0.32), 73.9°(0.11), 78.1°(0.18), 86.4°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and ... | JVASP-79519 | 5.57 5.13 5.13
119 90 90
Ba 0.250 0.333 0.667
Ba 0.750 0.667 0.333
Pd 0.500 -0.000 0.000
Pd 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Er.
The XRD pattern shows main peaks at: 29.6°(0.08), 30.7°(0.45), 31.9°(0.34), 33.7°(1.0), 38.3°(0.23), 44.1°(0.06), 50.7°(0.11), 52.5°(0.26), 62.1°(0.06), 62.8°(0.32), 63.9°(0.17), 87.2°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-102277 | 3.48 3.48 11.21
90 90 120
Er 0.000 0.000 0.000
Er 0.333 0.667 0.250
Er 0.000 0.000 0.500
Er 0.667 0.333 0.750 |
Below is a description of a material. | The chemical formula is: KGe2Rh2.
The XRD pattern shows main peaks at: 15.4°(1.0), 22.5°(0.12), 31.6°(0.49), 33.9°(0.68), 43.0°(0.58), 43.8°(0.65), 46.0°(0.23), 54.3°(0.21), 57.1°(0.35), 62.5°(0.19), 64.8°(0.14), 73.0°(0.13), 79.4°(0.24), 80.9°(0.14), 87.4°(0.05), 89.7°(0.2).
Generate atomic structure description with ... | JVASP-155681 | 6.48 6.48 6.48
142 142 54
K 0.000 0.000 0.000
Ge 0.360 0.360 -0.000
Ge 0.640 0.640 0.000
Rh 0.750 0.250 0.500
Rh 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: Sb3O7.
The XRD pattern shows main peaks at: 14.7°(0.4), 16.8°(0.17), 24.4°(0.08), 28.2°(0.09), 28.7°(0.17), 29.8°(1.0), 34.0°(0.12), 34.8°(0.19), 45.3°(0.05), 49.4°(0.31), 50.2°(0.1), 58.3°(0.14), 59.4°(0.21), 61.8°(0.07).
Generate atomic structure description with lattice lengths, angles, coor... | JVASP-144343 | 7.38 7.38 7.38
120 120 88
Sb 0.500 0.500 0.000
Sb 0.000 0.500 0.500
Sb 0.000 0.500 -0.000
Sb -0.000 0.000 0.500
Sb 0.000 0.000 0.000
Sb 0.500 0.000 0.500
O 0.327 0.577 0.750
O 0.327 0.665 0.227
O 0.327 0.100 0.662
O 0.681 0.931 0.750
O 0.938 0.100 0.273
O 0.938 0.665 0.838
O 0.673 0.900 0.338
O 0.673 0.335 0.773
O 0.93... |
Below is a description of a material. | The chemical formula is: CrOF.
The XRD pattern shows main peaks at: 15.5°(1.0), 27.9°(0.45), 35.8°(0.15), 43.0°(0.26), 45.4°(0.54), 47.0°(0.24), 49.8°(0.08), 53.7°(0.06), 58.7°(0.06), 60.5°(0.05), 63.9°(0.06), 65.3°(0.06), 67.4°(0.25), 84.3°(0.06), 85.8°(0.06).
Generate atomic structure description with lattice lengths... | JVASP-30256 | 3.87 2.79 5.71
90 90 90
Cr 0.250 0.250 0.117
Cr 0.750 0.750 0.883
O 0.250 0.750 0.875
O 0.750 0.250 0.125
F 0.250 0.750 0.354
F 0.750 0.250 0.646 |
Below is a description of a material. | The chemical formula is: U2Cu2As3O.
The XRD pattern shows main peaks at: 14.7°(0.09), 19.7°(0.07), 24.8°(0.63), 30.2°(0.65), 32.3°(0.32), 33.8°(0.56), 35.7°(0.4), 38.1°(1.0), 46.4°(0.6), 53.3°(0.17), 56.3°(0.21), 58.6°(0.24), 67.7°(0.19), 77.0°(0.07), 77.8°(0.06), 78.9°(0.09), 80.4°(0.23).
Generate atomic structure des... | JVASP-85278 | 3.92 3.92 18.07
90 90 90
U 0.250 0.250 0.626
U 0.250 0.250 0.070
U 0.750 0.750 0.930
U 0.750 0.750 0.374
Cu 0.750 0.250 0.770
Cu 0.250 0.750 0.770
Cu 0.750 0.250 0.230
Cu 0.250 0.750 0.230
As 0.750 0.750 0.147
As 0.750 0.750 0.677
As 0.250 0.250 0.323
As 0.250 0.250 0.853
As 0.250 0.750 0.500
As 0.750 0.250 0.500
O 0.2... |
Below is a description of a material. | The chemical formula is: NaPS.
The XRD pattern shows main peaks at: 34.6°(1.0), 36.8°(0.27), 51.4°(0.59), 62.0°(0.15), 72.9°(0.09), 74.3°(0.18), 84.6°(0.13), 88.6°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-135526 | 5.19 5.19 2.44
90 90 120
Na 0.000 0.000 0.000
P 0.333 0.667 0.000
S 0.667 0.333 0.000 |
Below is a description of a material. | The chemical formula is: CaPbSe2.
The XRD pattern shows main peaks at: 14.6°(0.25), 20.7°(0.22), 25.4°(0.08), 29.4°(1.0), 32.9°(0.15), 36.2°(0.12), 42.0°(0.77), 44.7°(0.07), 47.3°(0.06), 52.1°(0.28), 56.6°(0.07), 60.9°(0.12), 63.0°(0.05), 69.1°(0.34), 76.8°(0.26).
Generate atomic structure description with lattice leng... | JVASP-106839 | 4.30 4.30 6.08
90 90 90
Ca 0.000 0.000 0.500
Pb 0.500 0.500 0.000
Se 0.000 0.000 0.000
Se 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: CdH6C5O4.
The XRD pattern shows main peaks at: 10.8°(1.0), 21.3°(0.27), 21.7°(0.12), 25.8°(0.3), 26.3°(0.56), 30.6°(0.13), 32.0°(0.12), 34.4°(0.19), 36.8°(0.11), 37.9°(0.05), 40.1°(0.08), 40.6°(0.09), 42.2°(0.1), 44.1°(0.08), 45.7°(0.1), 47.7°(0.08).
Generate atomic structure description with l... | JVASP-112172 | 4.03 4.57 8.50
74 84 70
Cd 0.412 0.274 0.762
H 0.787 0.009 0.278
H 0.203 0.788 0.369
H 0.668 0.497 0.299
H 0.394 0.458 0.137
H 0.079 0.280 0.391
H 0.111 0.263 0.106
C 0.769 0.779 0.532
C 0.933 0.784 0.362
C 0.938 0.499 0.301
C 0.114 0.484 0.134
C 0.965 0.754 0.985
O 0.851 0.508 0.643
O 0.555 0.038 0.553
O 0.673 0.971 -... |
Below is a description of a material. | The chemical formula is: BePOs2.
The XRD pattern shows main peaks at: 15.9°(0.26), 32.1°(0.16), 34.3°(1.0), 43.2°(0.41), 44.7°(0.46), 46.4°(0.07), 49.0°(0.11), 54.9°(0.13), 62.8°(0.15), 67.4°(0.18), 72.3°(0.06), 73.6°(0.21), 75.4°(0.12), 80.3°(0.18), 83.5°(0.1).
Generate atomic structure description with lattice length... | JVASP-178684 | 2.96 2.96 5.58
90 90 90
Be 0.000 -0.000 0.501
P 0.500 0.500 0.731
Os -0.000 0.000 0.954
Os 0.500 0.500 0.314 |
Below is a description of a material. | The chemical formula is: ArNi3.
The XRD pattern shows main peaks at: 40.5°(1.0), 47.1°(0.48), 68.8°(0.27), 82.9°(0.32), 87.5°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-126271 | 3.86 3.86 3.86
90 90 90
Ar 0.000 0.000 0.000
Ni 0.000 0.500 0.500
Ni 0.500 0.000 0.500
Ni 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: B2OsW2.
The XRD pattern shows main peaks at: 31.2°(0.26), 32.6°(0.16), 36.5°(0.14), 37.1°(0.39), 40.0°(0.42), 42.0°(1.0), 45.4°(0.07), 49.3°(0.15), 59.9°(0.13), 68.6°(0.12), 72.6°(0.12), 74.5°(0.14), 80.7°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates an... | JVASP-112293 | 3.09 7.63 9.68
90 90 90
B 0.500 0.113 0.460
B 0.500 0.887 0.540
B 0.000 0.387 0.960
B 0.000 0.613 0.040
B 0.500 0.123 0.269
B 0.500 0.877 0.731
B 0.000 0.377 0.769
B 0.000 0.623 0.231
Os 0.000 0.116 0.108
Os 0.000 0.884 0.892
Os 0.500 0.384 0.608
Os 0.500 0.616 0.392
W 0.500 0.806 0.130
W 0.500 0.194 0.870
W 0.000 0.69... |
Below is a description of a material. | The chemical formula is: ZnSn2O4.
The XRD pattern shows main peaks at: 16.3°(0.1), 18.5°(0.05), 29.0°(0.14), 29.8°(1.0), 30.2°(0.24), 33.5°(0.44), 37.7°(0.18), 38.6°(0.3), 41.3°(0.26), 44.5°(0.1), 45.5°(0.07), 51.0°(0.05), 51.5°(0.14), 52.0°(0.07), 54.2°(0.12), 57.6°(0.32), 66.0°(0.2), 68.1°(0.11), 85.7°(0.11).
Generat... | JVASP-9929 | 3.21 5.59 10.86
90 90 106
Zn 0.394 0.788 0.750
Zn 0.606 0.212 0.250
Sn 0.868 0.737 0.077
Sn 0.132 0.263 0.923
Sn 0.868 0.737 0.423
Sn 0.132 0.263 0.577
O 0.229 0.457 0.384
O 0.771 0.543 0.616
O 0.771 0.543 0.884
O 0.229 0.457 0.116
O 0.987 0.975 0.250
O 0.013 0.025 0.750
O 0.500 0.000 0.000
O 0.500 0.000 0.500 |
Below is a description of a material. | The chemical formula is: Be2ZnRh.
The XRD pattern shows main peaks at: 16.4°(0.13), 31.1°(1.0), 33.1°(0.4), 44.6°(0.47), 46.1°(0.87), 56.7°(0.33), 64.9°(0.15), 69.5°(0.05), 73.7°(0.16), 74.8°(0.15), 78.1°(0.13), 83.2°(0.29), 86.5°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates an... | JVASP-73553 | 2.87 2.87 5.41
90 90 90
Be 0.000 0.000 0.780
Be 0.000 0.000 0.220
Zn 0.500 0.500 0.500
Rh 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: NbOF.
The XRD pattern shows main peaks at: 14.5°(1.0), 25.9°(0.65), 34.2°(0.31), 36.5°(0.19), 37.8°(0.17), 40.7°(0.35), 43.0°(0.54), 43.5°(0.26), 44.5°(0.09), 46.1°(0.09), 49.8°(0.1), 56.4°(0.13), 59.7°(0.12), 60.6°(0.09), 62.8°(0.32), 64.1°(0.08), 70.4°(0.07), 76.1°(0.07), 77.5°(0.08), 80.7°(0... | JVASP-136598 | 2.90 4.16 6.11
90 90 90
Nb 0.500 0.500 0.630
Nb 0.000 0.000 0.370
O 0.000 0.500 0.354
O 0.500 0.000 0.646
F 0.000 0.500 0.884
F 0.500 0.000 0.116 |
Below is a description of a material. | The chemical formula is: RhS2.
The XRD pattern shows main peaks at: 26.8°(0.75), 31.0°(1.0), 34.8°(0.18), 38.2°(0.17), 44.4°(0.62), 52.6°(1.0), 55.1°(0.2), 57.6°(0.07), 60.0°(0.08), 71.2°(0.22), 73.4°(0.21), 81.8°(0.17), 87.9°(0.35).
Generate atomic structure description with lattice lengths, angles, coordinates and at... | JVASP-152161 | 5.77 5.77 5.77
90 90 90
Rh 0.000 0.000 0.000
Rh 0.500 0.000 0.500
Rh 0.000 0.500 0.500
Rh 0.500 0.500 0.000
S 0.388 0.388 0.388
S 0.112 0.612 0.888
S 0.612 0.888 0.112
S 0.888 0.112 0.612
S 0.612 0.612 0.612
S 0.888 0.388 0.112
S 0.388 0.112 0.888
S 0.112 0.888 0.388 |
Below is a description of a material. | The chemical formula is: NbCl3.
The XRD pattern shows main peaks at: 8.9°(1.0), 17.8°(0.18), 31.7°(0.32), 34.2°(0.45), 35.2°(0.08), 36.0°(0.15), 38.8°(0.23), 45.0°(0.12), 50.4°(0.1), 52.3°(0.11), 54.1°(0.07), 60.9°(0.07), 64.0°(0.05), 65.4°(0.07).
Generate atomic structure description with lattice lengths, angles, coor... | JVASP-124273 | 3.39 3.14 10.11
84 99 122
Nb 0.930 0.000 0.362
Cl 0.042 -0.000 0.586
Cl 0.690 0.000 0.880
Cl 0.337 1.000 0.172 |
Below is a description of a material. | The chemical formula is: ZrTa2N3.
The XRD pattern shows main peaks at: 19.4°(0.22), 29.9°(0.12), 33.9°(1.0), 35.9°(0.65), 45.9°(0.36), 50.2°(0.32), 60.7°(0.2), 62.0°(0.29), 69.2°(0.11), 71.4°(0.15), 72.7°(0.22), 82.6°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-93335 | 2.99 5.28 5.28
119 90 90
Zr 0.000 1.000 -0.000
Ta 0.500 0.333 0.667
Ta 0.500 0.667 0.333
N 0.000 0.500 -0.000
N 0.000 0.500 0.500
N 0.000 1.000 0.500 |
Below is a description of a material. | The chemical formula is: MgTeH4.
The XRD pattern shows main peaks at: 23.7°(1.0), 27.5°(0.37), 39.2°(0.59), 46.4°(0.55), 48.6°(0.1), 56.7°(0.11), 62.3°(0.22), 64.1°(0.12), 71.1°(0.2), 76.2°(0.17), 84.4°(0.07), 89.2°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-139077 | 4.59 4.59 4.59
60 60 60
Mg 0.000 0.000 0.000
Te 0.750 0.750 0.750
H 0.329 0.329 0.012
H 0.329 0.012 0.329
H 0.012 0.329 0.329
H 0.329 0.329 0.329 |
Below is a description of a material. | The chemical formula is: Li2TiO3.
The XRD pattern shows main peaks at: 20.6°(0.15), 21.2°(1.0), 23.4°(0.3), 28.1°(0.5), 33.0°(0.08), 37.3°(0.09), 41.1°(0.08), 42.7°(0.46), 44.7°(0.83), 46.4°(0.07), 50.4°(0.06), 53.4°(0.08), 56.8°(0.07), 57.4°(0.08), 61.3°(0.07), 63.0°(0.11), 64.1°(0.21), 65.1°(0.12).
Generate atomic st... | JVASP-13340 | 5.73 8.87 5.17
29 55 59
Li 0.000 0.006 0.992
Li -0.000 0.653 0.020
Li 0.500 0.328 0.008
Li 0.500 0.680 0.980
Ti -0.000 0.346 0.981
Ti 0.500 0.988 0.019
O 0.261 0.018 0.437
O 0.239 0.316 0.563
O 0.739 0.018 0.510
O 0.250 0.667 0.500
O 0.761 0.316 0.490
O 0.750 0.667 0.500 |
Below is a description of a material. | The chemical formula is: NdSeF.
The XRD pattern shows main peaks at: 24.8°(0.39), 25.3°(0.5), 31.3°(1.0), 33.4°(0.74), 40.3°(0.7), 44.0°(0.41), 44.8°(0.52), 51.9°(0.22), 56.1°(0.19), 57.0°(0.31), 64.6°(0.27), 65.3°(0.15), 69.5°(0.11), 71.0°(0.08), 74.1°(0.17), 74.5°(0.17), 75.3°(0.07), 79.6°(0.18), 82.4°(0.07), 86.6°(0... | JVASP-3195 | 4.04 4.04 7.18
90 90 90
Nd 0.500 0.000 0.783
Nd 0.000 0.500 0.217
Se 0.000 0.500 0.646
Se 0.500 0.000 0.354
F 0.500 0.500 0.000
F 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: TbNaSe2.
The XRD pattern shows main peaks at: 12.8°(0.48), 25.2°(0.22), 30.3°(1.0), 33.0°(0.07), 39.5°(0.12), 43.1°(0.35), 43.7°(0.35), 45.8°(0.11), 53.0°(0.06), 54.1°(0.18), 63.1°(0.1), 71.1°(0.15), 72.0°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates an... | JVASP-37072 | 4.14 4.14 7.31
73 73 60
Tb 0.500 0.500 0.500
Na 0.000 0.000 0.000
Se 0.756 0.756 0.733
Se 0.244 0.244 0.267 |
Below is a description of a material. | The chemical formula is: SmTh3.
The XRD pattern shows main peaks at: 30.5°(1.0), 35.3°(0.55), 50.8°(0.4), 60.4°(0.48), 63.4°(0.14), 74.7°(0.07), 82.8°(0.19), 85.4°(0.19).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-37222 | 5.08 5.08 5.08
90 90 90
Sm 0.000 0.000 0.000
Th 0.000 0.500 0.500
Th 0.500 0.000 0.500
Th 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: Tb7FeBr12.
The XRD pattern shows main peaks at: 11.2°(0.17), 12.2°(0.42), 16.6°(0.08), 20.6°(0.08), 29.2°(0.13), 31.1°(1.0), 35.8°(0.09), 44.2°(0.39), 45.0°(0.36), 54.4°(0.05), 55.8°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-155027 | 9.03 9.03 9.03
106 106 106
Tb 0.808 0.526 0.600
Tb 0.526 0.600 0.809
Tb 0.191 0.474 0.400
Tb 0.400 0.191 0.474
Tb 0.474 0.400 0.191
Tb -0.000 0.000 0.000
Tb 0.600 0.809 0.526
Fe 0.500 0.500 0.500
Br 0.972 0.892 0.661
Br 0.661 0.972 0.892
Br 0.574 0.731 0.181
Br 0.339 0.028 0.108
Br 0.108 0.339 0.028
Br 0.819 0.426 0.26... |
Below is a description of a material. | The chemical formula is: TbTc2.
The XRD pattern shows main peaks at: 33.4°(0.4), 36.0°(0.86), 38.7°(0.13), 39.2°(1.0), 40.1°(0.69), 40.7°(0.13), 59.6°(0.08), 61.3°(0.29), 63.6°(0.22), 66.3°(0.31), 70.1°(0.23), 81.4°(0.15), 83.9°(0.08), 84.3°(0.09).
Generate atomic structure description with lattice lengths, angles, coo... | JVASP-145094 | 5.37 5.37 8.86
90 90 120
Tb 0.333 0.667 0.437
Tb 0.667 0.333 0.563
Tb 0.667 0.333 0.937
Tb 0.333 0.667 0.063
Tc 0.000 0.000 0.500
Tc 0.000 0.000 0.000
Tc 0.829 0.171 0.250
Tc 0.829 0.658 0.250
Tc 0.342 0.171 0.250
Tc 0.171 0.829 0.750
Tc 0.171 0.342 0.750
Tc 0.658 0.829 0.750 |
Below is a description of a material. | The chemical formula is: ZnSiNi.
The XRD pattern shows main peaks at: 26.0°(0.17), 40.3°(1.0), 45.9°(0.63), 62.7°(0.3), 81.1°(0.37), 85.0°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-184466 | 3.95 3.95 2.96
90 90 119
Zn -0.000 -0.000 -0.000
Si 0.667 0.333 0.500
Ni 0.333 0.667 0.500 |
Below is a description of a material. | The chemical formula is: MnGaO3.
The XRD pattern shows main peaks at: 30.3°(0.63), 33.0°(1.0), 35.6°(0.61), 39.6°(0.13), 44.7°(0.11), 50.6°(0.31), 57.1°(0.46), 66.0°(0.35), 67.6°(0.11), 69.1°(0.09), 79.8°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-102434 | 3.22 3.22 11.81
90 90 120
Mn 0.000 0.000 0.000
Mn 0.000 0.000 0.500
Ga 0.333 0.667 0.750
Ga 0.667 0.333 0.250
O 0.000 0.000 0.250
O 0.000 0.000 0.750
O 0.333 0.667 0.579
O 0.333 0.667 0.921
O 0.667 0.333 0.421
O 0.667 0.333 0.079 |
Below is a description of a material. | The chemical formula is: Li7OsO6.
The XRD pattern shows main peaks at: 17.8°(0.93), 19.8°(0.76), 20.0°(0.76), 22.4°(1.0), 22.8°(0.53), 30.5°(0.37), 31.1°(0.21), 33.2°(0.22), 35.3°(0.15), 35.7°(0.14), 36.1°(0.15), 37.7°(0.33), 38.9°(0.33), 39.6°(0.1), 40.7°(0.1), 45.7°(0.13), 49.5°(0.21), 50.9°(0.13), 53.2°(0.14), 60.1°... | JVASP-13272 | 5.30 5.40 5.80
90 115 119
Li 0.384 0.857 0.622
Li 0.743 0.359 0.045
Li 0.851 0.761 0.346
Li 0.150 0.257 0.627
Li 0.292 0.634 0.997
Li 0.595 0.104 0.360
Li 0.700 0.507 0.617
Os 0.004 0.010 0.001
O 0.152 0.780 0.230
O 0.545 0.632 0.795
O 0.116 0.901 0.740
O 0.855 0.090 0.239
O 0.471 0.373 0.224
O 0.840 0.235 0.759 |
Below is a description of a material. | The chemical formula is: Li4BeTc.
The XRD pattern shows main peaks at: 23.1°(1.0), 26.8°(0.56), 38.2°(0.52), 45.2°(0.68), 47.3°(0.17), 55.2°(0.06), 60.6°(0.21), 62.4°(0.2), 69.1°(0.18), 74.0°(0.21), 81.8°(0.08), 86.5°(0.15), 88.0°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-64916 | 4.71 4.71 4.71
60 60 60
Li 0.375 0.375 0.375
Li 0.375 0.874 0.375
Li 0.375 0.375 0.874
Li 0.874 0.375 0.375
Be 0.000 0.000 0.000
Tc 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: V2GaPt.
The XRD pattern shows main peaks at: 25.3°(0.4), 29.3°(0.14), 41.9°(1.0), 49.5°(0.22), 60.7°(0.18), 66.8°(0.1), 68.8°(0.06), 76.4°(0.35), 82.0°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-183076 | 4.32 4.32 4.32
60 60 60
V -0.000 0.000 -0.000
V 0.250 0.250 0.250
Ga 0.750 0.750 0.750
Pt 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: SrCaIn3.
The XRD pattern shows main peaks at: 19.6°(0.42), 26.3°(0.18), 27.0°(0.45), 29.4°(1.0), 37.5°(0.94), 38.0°(0.57), 39.7°(0.06), 42.7°(0.1), 46.8°(0.21), 54.0°(0.21), 54.4°(0.37), 55.8°(0.08), 62.7°(0.2), 67.5°(0.2), 68.0°(0.1), 74.3°(0.05), 80.3°(0.13).
Generate atomic structure descrip... | JVASP-180892 | 7.61 7.61 7.61
143 143 52
Sr 0.000 0.000 0.000
Ca 0.250 0.750 0.500
In 0.396 0.396 -0.000
In 0.604 0.604 0.000
In 0.750 0.250 0.500 |
Below is a description of a material. | The chemical formula is: K2RbScBr6.
The XRD pattern shows main peaks at: 15.3°(0.59), 26.7°(0.81), 30.9°(1.0), 33.8°(0.1), 34.7°(0.25), 44.3°(0.69), 52.5°(0.25), 55.0°(0.22), 64.5°(0.09), 73.2°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-102370 | 8.18 8.18 8.18
60 60 60
K 0.750 0.750 0.750
K 0.250 0.250 0.250
Rb 0.500 0.500 0.500
Sc 0.000 0.000 0.000
Br 0.772 0.228 0.228
Br 0.228 0.228 0.772
Br 0.228 0.772 0.772
Br 0.228 0.772 0.228
Br 0.772 0.228 0.772
Br 0.772 0.772 0.228 |
Below is a description of a material. | The chemical formula is: MgGaAg2.
The XRD pattern shows main peaks at: 23.6°(0.05), 27.3°(0.2), 39.0°(1.0), 48.2°(0.05), 56.3°(0.17), 63.7°(0.06), 70.6°(0.33), 83.7°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-41378 | 4.62 4.62 4.62
60 60 60
Mg 0.750 0.750 0.750
Ga 0.250 0.250 0.250
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: NbGaOs2.
The XRD pattern shows main peaks at: 28.5°(0.19), 40.8°(1.0), 50.5°(0.06), 59.0°(0.18), 74.2°(0.37), 88.3°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-101594 | 4.43 4.43 4.43
59 60 60
Nb 0.000 0.000 0.000
Ga 0.500 0.500 0.500
Os 0.750 0.750 0.750
Os 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: LiIn2Pd.
The XRD pattern shows main peaks at: 23.2°(0.23), 26.9°(0.16), 38.4°(1.0), 55.4°(0.17), 69.4°(0.35), 82.2°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-17839 | 4.69 4.69 4.69
60 60 60
Li 0.000 0.000 0.000
In 0.750 0.750 0.750
In 0.250 0.250 0.250
Pd 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: CaBiB.
The XRD pattern shows main peaks at: 22.4°(1.0), 25.9°(0.38), 37.0°(0.67), 43.7°(0.5), 45.7°(0.12), 53.3°(0.12), 58.5°(0.24), 60.2°(0.16), 66.6°(0.24), 71.3°(0.17), 78.7°(0.08), 83.1°(0.19), 84.5°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and ... | JVASP-51291 | 4.86 4.86 4.86
60 60 60
Ca 0.250 0.250 0.250
Bi 0.500 0.500 0.500
B 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: NeCr.
The XRD pattern shows main peaks at: 25.6°(0.21), 36.5°(1.0), 45.1°(0.06), 52.5°(0.15), 59.3°(0.08), 65.6°(0.26), 77.5°(0.08), 88.8°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-127345 | 3.48 3.48 3.48
90 90 90
Ne 0.500 0.500 0.500
Cr 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: PuO2.
The XRD pattern shows main peaks at: 28.8°(1.0), 33.3°(0.39), 47.8°(0.47), 56.8°(0.51), 59.6°(0.11), 70.0°(0.08), 77.4°(0.2).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-20256 | 3.80 3.80 3.80
60 60 59
Pu 0.000 0.000 0.000
O 0.750 0.750 0.750
O 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: Nb8W.
The XRD pattern shows main peaks at: 38.6°(1.0), 55.6°(0.13), 69.8°(0.28), 82.7°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-190828 | 3.29 7.20 7.20
87 76 76
Nb 0.663 0.000 0.673
Nb 0.337 0.000 0.327
Nb 0.333 0.667 0.667
Nb 0.663 0.673 0.000
Nb -0.000 0.667 0.333
Nb 0.337 0.327 0.000
Nb 0.667 0.333 0.333
Nb 0.000 0.333 0.667
W -0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: BiSI.
The XRD pattern shows main peaks at: 18.7°(0.62), 25.5°(0.58), 31.8°(0.34), 32.7°(0.94), 37.9°(0.12), 41.9°(1.0), 46.3°(0.12), 52.5°(0.09), 58.3°(0.19), 63.2°(0.3), 64.7°(0.27), 68.4°(0.11), 74.4°(0.17), 82.3°(0.14).
Generate atomic structure description with lattice lengths, angles, coor... | JVASP-138244 | 5.48 5.48 3.49
90 90 120
Bi 0.000 0.000 0.000
S 0.667 0.333 0.000
I 0.333 0.667 0.000 |
Below is a description of a material. | The chemical formula is: HfS3.
The XRD pattern shows main peaks at: 16.1°(1.0), 19.3°(0.54), 22.4°(0.53), 25.7°(0.26), 27.8°(0.1), 28.5°(0.24), 31.6°(0.12), 32.3°(0.6), 36.8°(0.11), 39.2°(0.33), 40.3°(0.13), 41.7°(0.14), 42.5°(0.13), 43.5°(0.19), 44.1°(0.1), 44.7°(0.09), 45.8°(0.13), 49.4°(0.16), 52.8°(0.08), 53.9°(0.0... | JVASP-135107 | 5.24 4.88 8.52
54 139 138
Hf 0.559 -0.003 0.250
S 0.447 0.462 0.541
S 0.503 0.562 0.145
S 0.585 0.604 -0.080 |
Below is a description of a material. | The chemical formula is: Tl2Au.
The XRD pattern shows main peaks at: 16.9°(0.06), 31.1°(1.0), 34.1°(0.13), 35.8°(0.42), 38.3°(0.58), 39.8°(0.35), 53.3°(0.13), 55.6°(0.2), 59.4°(0.21), 62.2°(0.27), 65.4°(0.06), 70.2°(0.15), 77.0°(0.07), 78.4°(0.14).
Generate atomic structure description with lattice lengths, angles, coo... | JVASP-18674 | 5.71 5.98 5.98
76 61 61
Tl 0.154 0.500 0.192
Tl 0.346 0.808 0.500
Tl 0.654 0.192 0.500
Tl 0.846 0.500 0.808
Au 0.250 0.000 -0.000
Au 0.750 0.000 -0.000 |
Below is a description of a material. | The chemical formula is: GeClF.
The XRD pattern shows main peaks at: 12.0°(0.29), 24.2°(0.23), 26.7°(0.39), 34.2°(1.0), 42.1°(0.64), 44.2°(0.11), 48.7°(0.42), 50.8°(0.12), 55.1°(0.1), 55.7°(0.33), 56.4°(0.12), 60.9°(0.31), 67.8°(0.06), 71.4°(0.12), 77.1°(0.25), 81.5°(0.12), 83.6°(0.07), 86.5°(0.13).
Generate atomic str... | JVASP-136320 | 3.74 3.74 7.36
90 90 90
Ge 0.500 0.000 0.807
Ge 0.000 0.500 0.193
Cl 0.000 0.500 0.657
Cl 0.500 0.000 0.343
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: CeAgSn.
The XRD pattern shows main peaks at: 24.4°(0.08), 32.1°(1.0), 37.3°(0.81), 42.2°(0.14), 48.7°(0.07), 50.0°(0.29), 57.6°(0.06), 62.9°(0.19), 64.0°(0.28), 66.4°(0.08), 67.2°(0.14), 70.6°(0.06), 79.5°(0.09), 87.3°(0.08), 88.3°(0.12).
Generate atomic structure description with lattice lengt... | JVASP-18849 | 4.82 4.82 7.48
90 90 120
Ce 0.000 0.000 0.731
Ce 0.000 0.000 0.231
Ag 0.667 0.333 0.532
Ag 0.333 0.667 0.032
Sn 0.333 0.667 0.456
Sn 0.667 0.333 0.956 |
Below is a description of a material. | The chemical formula is: Fe6O11F.
The XRD pattern shows main peaks at: 28.8°(0.96), 29.4°(0.92), 37.7°(1.0), 41.6°(0.19), 43.1°(0.14), 43.5°(0.13), 57.1°(0.54), 57.7°(0.51), 60.9°(0.15), 65.5°(0.15), 68.8°(0.08), 73.4°(0.26), 80.6°(0.06), 88.9°(0.06).
Generate atomic structure description with lattice lengths, angles, ... | JVASP-119347 | 9.78 6.08 2.85
90 90 71
Fe 0.016 0.992 0.000
Fe 0.997 0.501 0.500
Fe 0.328 0.336 0.000
Fe 0.649 0.176 0.500
Fe 0.340 0.830 0.500
Fe 0.668 0.666 0.000
O 0.797 0.601 0.500
O 0.538 0.731 0.500
O 0.665 0.362 0.000
O 0.335 0.636 0.000
O 0.137 0.931 0.500
O 0.000 0.700 0.000
O 0.199 0.400 0.500
O 0.665 0.973 0.000
O 0.335 0.... |
Below is a description of a material. | The chemical formula is: LaGa3Cu.
The XRD pattern shows main peaks at: 29.5°(0.18), 32.9°(0.66), 34.2°(1.0), 42.3°(0.58), 45.6°(0.13), 48.0°(0.3), 54.6°(0.35), 60.9°(0.14), 61.3°(0.21), 65.9°(0.23), 71.5°(0.06), 72.1°(0.22), 86.7°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates an... | JVASP-109725 | 6.09 6.09 6.09
138 138 59
La 0.000 0.000 0.000
Ga 0.619 0.619 -0.000
Ga 0.381 0.381 -0.000
Ga 0.750 0.250 0.500
Cu 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: NaGaGe2O6.
The XRD pattern shows main peaks at: 13.6°(0.12), 19.6°(0.24), 20.0°(0.19), 26.3°(0.15), 29.4°(1.0), 34.0°(0.48), 35.0°(0.72), 39.1°(0.18), 43.3°(0.1), 46.4°(0.09), 54.1°(0.13), 54.5°(0.14), 55.6°(0.21), 58.8°(0.09), 59.7°(0.23), 64.3°(0.17), 64.9°(0.11), 65.6°(0.13), 68.5°(0.1), 69.... | JVASP-35186 | 5.49 6.68 6.68
83 77 77
Na 0.750 0.692 0.308
Na 0.250 0.308 0.692
Ga 0.750 0.094 0.906
Ga 0.250 0.906 0.094
Ge 0.726 0.615 0.809
Ge 0.774 0.191 0.385
Ge 0.274 0.385 0.191
Ge 0.226 0.809 0.615
O 0.010 0.338 0.388
O 0.490 0.612 0.662
O 0.126 0.979 0.814
O 0.374 0.186 0.021
O 0.874 0.021 0.186
O 0.677 0.085 0.634
O 0.323 ... |
Below is a description of a material. | The chemical formula is: BaVS3.
The XRD pattern shows main peaks at: 21.9°(0.64), 26.5°(0.62), 30.7°(0.06), 31.6°(0.2), 34.7°(1.0), 35.3°(0.24), 44.2°(0.19), 44.7°(0.33), 46.8°(0.13), 52.7°(0.17), 54.6°(0.28), 58.3°(0.23), 59.5°(0.09), 64.5°(0.14), 66.3°(0.16), 73.1°(0.05), 84.0°(0.08).
Generate atomic structure descri... | JVASP-57754 | 6.72 6.72 5.66
90 90 120
Ba 0.667 0.333 0.750
Ba 0.333 0.667 0.250
V 0.000 0.000 0.500
V 0.000 0.000 0.000
S 0.329 0.165 0.250
S 0.165 0.835 0.750
S 0.165 0.329 0.750
S 0.835 0.671 0.250
S 0.671 0.835 0.750
S 0.835 0.165 0.250 |
Below is a description of a material. | The chemical formula is: Cu3Sn.
The XRD pattern shows main peaks at: 27.6°(0.11), 36.9°(0.24), 42.0°(0.24), 42.6°(1.0), 57.1°(0.14), 66.4°(0.16), 77.2°(0.16), 81.8°(0.17), 82.2°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-17181 | 5.63 5.63 4.30
90 90 120
Cu 0.154 0.846 0.250
Cu 0.846 0.691 0.750
Cu 0.309 0.154 0.750
Cu 0.691 0.846 0.250
Cu 0.154 0.309 0.250
Cu 0.846 0.154 0.750
Sn 0.333 0.667 0.750
Sn 0.667 0.333 0.250 |
Below is a description of a material. | The chemical formula is: Li2MnCoO4.
The XRD pattern shows main peaks at: 18.9°(1.0), 36.4°(0.14), 37.7°(0.27), 39.4°(0.08), 44.3°(0.25), 45.4°(0.46), 49.6°(0.08), 58.8°(0.07), 59.7°(0.09), 64.6°(0.07), 65.4°(0.17), 67.8°(0.05), 68.6°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates... | JVASP-133000 | 4.85 4.99 5.72
106 87 99
Li 0.496 0.491 0.748
Li 0.000 0.500 0.000
Li 0.504 0.509 0.252
Li 0.000 0.500 0.500
Mn 0.225 -0.000 0.890
Mn 0.775 0.000 0.110
Co 0.256 0.003 0.380
Co 0.744 -0.003 0.620
O 0.616 0.220 0.928
O 0.134 0.238 0.198
O 0.629 0.217 0.425
O 0.115 0.221 0.685
O 0.371 0.783 0.575
O 0.866 0.762 0.802
O 0.3... |
Below is a description of a material. | The chemical formula is: AgAsSe2.
The XRD pattern shows main peaks at: 32.0°(1.0), 45.7°(0.39), 46.2°(0.39), 56.4°(0.06), 57.3°(0.19), 67.0°(0.12), 75.8°(0.16), 76.6°(0.17), 85.3°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-15393 | 6.90 6.90 6.90
33 33 33
Ag 0.500 0.500 0.500
As 0.000 0.000 0.000
Se 0.747 0.747 0.747
Se 0.253 0.253 0.253 |
Below is a description of a material. | The chemical formula is: CeNdSi2.
The XRD pattern shows main peaks at: 21.7°(0.29), 26.5°(0.34), 27.2°(0.44), 29.3°(1.0), 31.5°(0.8), 32.4°(0.83), 35.1°(0.48), 36.3°(0.52), 39.8°(0.44), 46.0°(0.28), 47.0°(0.21), 50.2°(0.21), 51.2°(0.38), 52.1°(0.13), 53.4°(0.11), 57.3°(0.36), 59.9°(0.24), 67.8°(0.13), 69.9°(0.18), 72.4... | JVASP-173953 | 3.95 5.88 8.19
90 90 90
Ce 0.250 0.385 0.681
Ce 0.250 0.115 0.181
Nd 0.750 0.616 0.320
Nd 0.750 0.884 0.820
Si 0.250 0.881 0.536
Si 0.250 0.619 0.036
Si 0.750 0.130 0.464
Si 0.750 0.370 0.964 |
Below is a description of a material. | The chemical formula is: FeCoO4.
The XRD pattern shows main peaks at: 20.4°(1.0), 37.3°(0.39), 39.3°(0.1), 46.3°(0.43), 51.1°(0.12), 62.3°(0.06), 66.0°(0.14), 69.9°(0.12), 84.4°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-99628 | 4.67 9.31 8.87
17 31 35
Fe 0.500 0.000 0.500
Co 0.500 0.500 0.500
O 0.239 0.500 0.239
O 0.761 0.500 0.761
O 0.230 0.000 0.241
O 0.770 -0.000 0.759 |
Below is a description of a material. | The chemical formula is: MnNiAs.
The XRD pattern shows main peaks at: 24.3°(0.08), 28.9°(0.12), 38.1°(0.83), 41.8°(1.0), 44.8°(0.35), 49.8°(0.33), 51.2°(0.34), 51.6°(0.44), 69.2°(0.16), 74.2°(0.22), 82.8°(0.26), 87.9°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-63615 | 6.19 6.19 3.66
90 90 120
Mn 0.000 0.590 0.500
Mn 0.590 0.000 0.500
Mn 0.410 0.410 0.500
Ni 0.000 0.254 0.000
Ni 0.254 0.000 0.000
Ni 0.746 0.746 0.000
As 0.667 0.333 0.000
As 0.333 0.667 0.000
As 0.000 0.000 0.500 |
Below is a description of a material. | The chemical formula is: Ce3PbC.
The XRD pattern shows main peaks at: 15.2°(1.0), 26.5°(0.17), 30.7°(0.66), 34.4°(0.57), 43.9°(0.51), 46.7°(0.29), 52.0°(0.07), 54.5°(0.18), 56.9°(0.13), 63.9°(0.08), 66.1°(0.17), 72.5°(0.24), 74.6°(0.13), 80.7°(0.17), 82.8°(0.06).
Generate atomic structure description with lattice lengt... | JVASP-95334 | 5.83 5.83 5.83
90 90 90
Ce 0.000 0.500 0.500
Ce 0.500 0.500 0.000
Ce 0.500 0.000 0.500
Pb 0.500 0.500 0.500
C 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: YVO4.
The XRD pattern shows main peaks at: 19.3°(0.07), 29.6°(1.0), 31.8°(0.12), 35.5°(0.15), 40.8°(0.1), 46.9°(0.06), 48.4°(0.28), 51.1°(0.13), 55.4°(0.16), 60.2°(0.27), 61.5°(0.11), 77.8°(0.07), 78.7°(0.11), 86.0°(0.05).
Generate atomic structure description with lattice lengths, angles, coor... | JVASP-150974 | 6.66 6.66 6.66
135 135 64
Y 0.375 0.125 0.750
Y 0.625 0.875 0.250
V 0.875 0.625 0.750
V 0.125 0.375 0.250
O 0.701 0.852 0.641
O 0.211 0.560 0.859
O 0.060 0.201 0.849
O 0.352 0.711 0.651
O 0.299 0.148 0.359
O 0.789 0.440 0.141
O 0.940 0.799 0.151
O 0.648 0.289 0.349 |
Below is a description of a material. | The chemical formula is: MnV3.
The XRD pattern shows main peaks at: 43.8°(1.0), 63.7°(0.15), 80.6°(0.3).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-41225 | 4.13 4.13 4.13
60 60 60
Mn 0.750 0.750 0.750
V 0.000 0.000 0.000
V 0.500 0.500 0.500
V 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: ErMn2O4.
The XRD pattern shows main peaks at: 17.2°(0.2), 27.7°(0.64), 28.1°(0.63), 29.4°(0.48), 31.7°(0.53), 34.4°(1.0), 47.9°(0.06), 48.4°(0.13), 49.9°(0.15), 50.8°(0.1), 51.5°(0.19), 54.0°(0.06), 55.2°(0.14), 55.5°(0.14), 57.2°(0.28), 58.1°(0.29), 61.1°(0.14), 80.2°(0.05).
Generate atomic st... | JVASP-145455 | 6.39 6.39 6.09
62 62 56
Er 0.126 0.126 0.108
Er 0.874 0.874 0.892
Mn 0.500 0.500 -0.000
Mn 0.500 0.500 0.500
Mn 0.500 0.000 0.500
Mn 0.000 0.500 0.500
O 0.729 0.729 0.298
O 0.750 0.750 0.724
O 0.734 0.288 0.761
O 0.288 0.734 0.761
O 0.271 0.271 0.702
O 0.250 0.250 0.276
O 0.266 0.712 0.239
O 0.712 0.266 0.239 |
Below is a description of a material. | The chemical formula is: Tm2NiAs2.
The XRD pattern shows main peaks at: 26.1°(0.29), 31.9°(1.0), 36.3°(0.56), 41.4°(0.23), 44.5°(0.67), 55.8°(0.21), 58.7°(0.13), 62.4°(0.07), 74.0°(0.17), 76.6°(0.12), 79.8°(0.07), 82.0°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom type... | JVASP-56045 | 4.07 4.07 13.91
90 90 120
Tm 0.333 0.667 0.880
Tm 0.667 0.333 0.380
Tm 0.667 0.333 0.115
Tm 0.333 0.667 0.615
Ni 0.000 0.000 0.741
Ni 0.000 0.000 0.241
As 0.000 0.000 0.498
As 0.000 0.000 -0.002
As 0.667 0.333 0.750
As 0.333 0.667 0.250 |
Below is a description of a material. | The chemical formula is: Mg2PdRh.
The XRD pattern shows main peaks at: 28.5°(0.5), 40.7°(1.0), 50.4°(0.13), 58.9°(0.15), 66.7°(0.16), 74.1°(0.33), 88.2°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-41211 | 4.43 4.43 4.43
60 60 60
Mg 0.500 0.500 0.500
Mg 0.000 0.000 0.000
Pd 0.250 0.250 0.250
Rh 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: TiCu2NiO4.
The XRD pattern shows main peaks at: 7.6°(0.09), 30.9°(0.29), 35.4°(0.09), 36.6°(1.0), 40.9°(0.39), 62.9°(0.23), 71.7°(0.15), 75.0°(0.1), 77.8°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-104914 | 11.72 11.72 11.72
14 14 14
Ti 0.000 0.000 0.000
Cu 0.753 0.753 0.753
Cu 0.247 0.247 0.247
Ni 0.500 0.500 0.500
O 0.195 0.195 0.195
O 0.698 0.698 0.698
O 0.805 0.805 0.805
O 0.302 0.302 0.302 |
Below is a description of a material. | The chemical formula is: Li2MnCoO4.
The XRD pattern shows main peaks at: 18.9°(1.0), 36.8°(0.31), 38.4°(0.12), 44.7°(0.63), 48.9°(0.09), 59.2°(0.14), 65.0°(0.21), 68.7°(0.09), 82.4°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-137585 | 4.94 5.74 5.74
59 106 106
Li 0.506 0.754 0.752
Li 0.006 0.002 0.504
Li 0.494 0.248 0.246
Li -0.006 0.496 0.998
Mn 0.000 0.498 0.502
Mn 0.500 0.752 0.248
Co 0.000 -0.001 0.001
Co 0.500 0.251 0.749
O 0.737 0.111 0.112
O 0.237 0.362 0.861
O 0.263 0.888 0.889
O 0.763 0.139 0.638
O 0.743 0.615 0.610
O 0.243 0.860 0.365
O 0.... |
Below is a description of a material. | The chemical formula is: Ho5Ge3.
The XRD pattern shows main peaks at: 24.4°(0.09), 25.4°(0.07), 28.1°(0.07), 30.7°(0.19), 32.5°(0.24), 35.5°(1.0), 37.0°(0.23), 52.2°(0.13), 54.7°(0.17), 56.9°(0.07), 58.4°(0.13), 68.2°(0.05), 71.1°(0.1), 86.7°(0.06).
Generate atomic structure description with lattice lengths, angles, co... | JVASP-154327 | 8.42 8.42 6.34
90 90 120
Ho 0.333 0.667 0.000
Ho 0.667 0.333 0.500
Ho 0.667 0.333 0.000
Ho 0.333 0.667 0.500
Ho 0.241 0.000 0.250
Ho 0.000 0.241 0.250
Ho 0.759 0.759 0.250
Ho 0.759 1.000 0.750
Ho 1.000 0.759 0.750
Ho 0.241 0.241 0.750
Ge 0.606 0.000 0.250
Ge 0.000 0.606 0.250
Ge 0.394 0.394 0.250
Ge 0.394 -0.000 0.750
... |
Below is a description of a material. | The chemical formula is: MnSe2O6.
The XRD pattern shows main peaks at: 18.0°(1.0), 25.0°(0.81), 25.3°(0.85), 27.8°(0.44), 29.5°(0.25), 32.8°(0.1), 33.2°(0.14), 34.3°(0.24), 35.1°(0.29), 39.6°(0.1), 40.5°(0.17), 41.3°(0.24), 43.6°(0.21), 44.5°(0.38), 51.3°(0.1), 51.9°(0.15), 56.1°(0.1), 56.8°(0.14), 67.5°(0.12), 68.3°(0... | JVASP-87207 | 5.11 6.65 7.32
90 90 90
Mn 0.000 0.000 0.000
Mn 0.500 0.500 0.500
Se 0.484 0.824 0.805
Se 0.984 0.676 0.305
Se 0.516 0.176 0.195
Se 0.016 0.324 0.695
O 0.802 0.228 0.079
O 0.698 0.728 0.421
O 0.695 0.837 0.998
O 0.556 0.575 0.748
O 0.195 0.663 0.498
O 0.302 0.272 0.579
O 0.198 0.772 0.921
O 0.056 0.925 0.248
O 0.444 0.... |
Below is a description of a material. | The chemical formula is: TeRh3.
The XRD pattern shows main peaks at: 39.2°(1.0), 45.6°(0.45), 66.4°(0.31), 79.9°(0.37), 84.2°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-126605 | 3.98 3.98 3.98
90 90 90
Te 0.000 0.500 0.000
Rh 0.000 0.000 0.500
Rh 0.500 0.500 0.500
Rh 0.500 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Fe7O3F9.
The XRD pattern shows main peaks at: 10.7°(0.52), 18.5°(0.58), 22.6°(0.7), 23.7°(0.71), 30.8°(1.0), 32.7°(0.95), 33.5°(0.65), 35.2°(0.62), 35.4°(0.71), 39.7°(0.71), 48.4°(0.25), 49.1°(0.43), 49.5°(0.39), 51.5°(0.36), 51.8°(0.4), 53.0°(0.34), 53.4°(0.52), 60.8°(0.3), 61.4°(0.26), 64.5°(... | JVASP-42326 | 5.36 5.52 9.00
68 105 115
Fe 0.217 0.350 0.068
Fe 0.031 0.384 0.631
Fe 0.487 0.136 0.823
Fe 0.328 0.138 0.434
Fe 0.467 0.904 0.159
Fe 0.947 0.627 0.333
Fe 0.800 0.910 0.596
O 0.234 0.009 0.243
O 0.719 0.276 0.462
O 0.211 0.125 0.616
F 0.805 0.520 0.716
F 0.191 0.469 0.281
F 0.224 0.772 0.962
F 0.368 0.732 0.559
F 0.292... |
Below is a description of a material. | The chemical formula is: TbNiSn.
The XRD pattern shows main peaks at: 23.0°(0.07), 26.4°(0.06), 31.9°(0.06), 33.2°(0.46), 34.1°(1.0), 37.4°(0.1), 39.5°(0.22), 40.2°(0.37), 40.7°(0.48), 53.8°(0.21), 56.1°(0.07), 56.5°(0.07), 57.6°(0.15), 62.0°(0.07), 65.9°(0.22), 69.1°(0.12), 73.5°(0.13), 76.5°(0.08).
Generate atomic st... | JVASP-23769 | 4.49 7.18 7.65
90 90 90
Tb 0.750 0.015 0.701
Tb 0.250 0.985 0.299
Tb 0.750 0.515 0.799
Tb 0.250 0.485 0.201
Ni 0.750 0.799 0.084
Ni 0.250 0.201 0.916
Ni 0.750 0.299 0.416
Ni 0.250 0.701 0.584
Sn 0.750 0.689 0.412
Sn 0.250 0.311 0.588
Sn 0.750 0.189 0.088
Sn 0.250 0.811 0.912 |
Below is a description of a material. | The chemical formula is: YbLuIn2.
The XRD pattern shows main peaks at: 34.0°(1.0), 48.9°(0.17), 60.9°(0.36), 71.6°(0.11), 81.7°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-169771 | 5.27 5.27 5.27
60 60 60
Yb 0.750 0.750 0.750
Lu 0.250 0.250 0.250
In 0.500 0.500 0.500
In 0.000 -0.000 -0.000 |
Below is a description of a material. | The chemical formula is: V4O5F7.
The XRD pattern shows main peaks at: 24.4°(1.0), 24.7°(0.51), 30.3°(0.07), 34.2°(0.18), 41.2°(0.19), 41.7°(0.12), 49.9°(0.13), 50.7°(0.09), 55.4°(0.1), 56.0°(0.12), 64.0°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-147453 | 5.02 5.26 7.31
93 89 90
V 0.524 0.499 0.464
V 0.458 0.494 0.968
V 0.023 0.998 0.535
V -0.016 0.021 0.038
O 0.102 0.991 0.751
O 0.196 0.299 0.047
O 0.398 0.493 0.747
O 0.604 0.503 0.247
O 0.899 0.004 0.254
F 0.189 0.682 0.444
F 0.302 0.809 0.055
F 0.327 0.177 0.442
F 0.685 0.816 0.557
F 0.688 0.194 0.943
F 0.797 0.703 0... |
Below is a description of a material. | The chemical formula is: SrBe2Cr.
The XRD pattern shows main peaks at: 18.7°(0.29), 25.6°(1.0), 27.5°(0.92), 33.1°(0.55), 38.0°(0.98), 42.4°(0.72), 43.6°(0.7), 51.2°(0.57), 52.7°(0.2), 56.8°(0.15), 60.5°(0.17), 63.3°(0.16), 63.7°(0.15), 67.3°(0.13), 70.7°(0.32), 73.3°(0.29), 75.4°(0.09), 76.3°(0.09), 81.1°(0.1), 82.0°(... | JVASP-70892 | 4.75 4.75 2.70
90 90 93
Sr 0.000 0.500 0.500
Be 0.000 0.000 0.000
Be 0.500 0.500 0.000
Cr 0.500 -0.000 0.500 |
Below is a description of a material. | The chemical formula is: Ca2BeCl.
The XRD pattern shows main peaks at: 14.2°(0.13), 23.0°(0.23), 28.6°(0.42), 30.7°(0.12), 34.3°(1.0), 44.5°(0.22), 53.7°(0.23), 54.4°(0.22), 64.7°(0.06), 72.2°(0.09), 75.3°(0.16), 76.9°(0.07), 89.5°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates an... | JVASP-178667 | 6.88 6.88 6.88
145 145 49
Ca -0.000 -0.000 -0.000
Ca 0.250 0.750 0.500
Be 0.500 0.500 -0.000
Cl 0.750 0.250 0.500 |
Below is a description of a material. | The chemical formula is: Rb2PrBr6.
The XRD pattern shows main peaks at: 14.3°(0.35), 24.5°(0.15), 25.0°(0.23), 27.2°(0.53), 28.5°(0.41), 28.9°(1.0), 30.0°(0.56), 33.1°(0.27), 34.2°(0.26), 36.5°(0.2), 37.2°(0.16), 38.5°(0.26), 41.3°(0.14), 43.3°(0.15), 44.5°(0.25), 45.3°(0.14), 47.2°(0.21), 47.8°(0.14), 59.8°(0.13), 68.... | JVASP-155304 | 8.22 8.22 7.32
119 119 97
Rb 0.741 0.259 0.500
Rb 0.259 0.741 0.500
Pr 0.000 0.000 0.000
Br 0.177 0.177 -0.168
Br 0.765 0.235 -0.000
Br 0.235 0.765 -0.000
Br 0.823 0.823 0.168
Br 0.637 0.637 0.430
Br 0.363 0.363 0.570 |
Below is a description of a material. | The chemical formula is: YbSi2Rh2.
The XRD pattern shows main peaks at: 23.5°(0.33), 34.9°(0.33), 35.9°(1.0), 36.3°(0.17), 44.2°(0.36), 51.3°(0.1), 57.5°(0.16), 58.5°(0.17), 64.3°(0.11), 65.1°(0.16), 75.9°(0.22).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-16274 | 4.10 4.10 5.73
110 110 90
Yb 0.000 0.000 0.000
Si 0.625 0.625 0.250
Si 0.375 0.375 0.750
Rh 0.750 0.250 0.500
Rh 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: AlFe.
The XRD pattern shows main peaks at: 31.1°(0.2), 44.6°(1.0), 64.9°(0.15), 82.1°(0.3).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-78761 | 2.88 4.07 2.87
135 90 90
Al 0.500 0.500 -0.000
Fe 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Zn2OsN3.
The XRD pattern shows main peaks at: 17.8°(0.29), 18.2°(0.22), 24.6°(0.38), 31.3°(0.5), 32.0°(0.1), 33.4°(0.51), 35.6°(1.0), 36.2°(0.76), 38.1°(0.09), 40.6°(0.13), 46.4°(0.3), 52.0°(0.08), 55.4°(0.16), 56.6°(0.27), 61.1°(0.28), 61.5°(0.18), 66.2°(0.15), 67.3°(0.26), 68.0°(0.22), 87.4°(... | JVASP-140908 | 5.71 5.60 5.37
90 90 119
Zn 0.338 0.819 0.479
Zn 0.662 0.481 0.479
Zn 0.662 0.181 0.979
Zn 0.338 0.519 0.979
Os -0.000 0.850 0.957
Os 0.000 0.150 0.457
N 0.320 0.852 0.855
N 0.680 0.532 0.855
N 0.680 0.148 0.355
N 0.320 0.468 0.355
N 0.000 0.830 0.321
N -0.000 0.170 0.821 |
Below is a description of a material. | The chemical formula is: Be5Co.
The XRD pattern shows main peaks at: 26.7°(1.0), 30.9°(0.57), 44.3°(0.59), 52.4°(0.71), 55.0°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-173455 | 4.09 4.09 4.09
60 60 59
Be 0.750 0.750 0.750
Be 0.876 0.375 0.375
Be 0.375 0.876 0.375
Be 0.375 0.375 0.876
Be 0.375 0.375 0.375
Co -0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Nb3Au2.
The XRD pattern shows main peaks at: 17.6°(0.23), 21.6°(0.25), 35.6°(0.25), 37.9°(1.0), 40.0°(0.51), 42.1°(0.54), 45.9°(0.11), 47.8°(0.23), 53.0°(0.08), 54.7°(0.06), 67.0°(0.42), 71.3°(0.3), 72.7°(0.15), 81.0°(0.11), 83.7°(0.08).
Generate atomic structure description with lattice length... | JVASP-61194 | 7.12 7.12 7.12
90 90 90
Nb 0.125 0.191 0.441
Nb 0.309 0.559 0.625
Nb 0.691 0.059 0.875
Nb 0.191 0.441 0.125
Nb 0.559 0.625 0.309
Nb 0.059 0.875 0.691
Nb 0.809 0.941 0.375
Nb 0.441 0.125 0.191
Nb 0.625 0.309 0.559
Nb 0.875 0.691 0.059
Nb 0.375 0.809 0.941
Nb 0.941 0.375 0.809
Au 0.300 0.200 0.800
Au 0.050 0.050 0.050
Au... |
Below is a description of a material. | The chemical formula is: LiReO3.
The XRD pattern shows main peaks at: 24.0°(1.0), 33.2°(0.38), 35.2°(0.3), 43.1°(0.15), 49.2°(0.18), 54.1°(0.26), 56.8°(0.17), 58.1°(0.08), 61.9°(0.15), 63.1°(0.09), 69.8°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-58389 | 5.41 5.41 5.41
56 56 56
Li 0.781 0.781 0.781
Li 0.281 0.281 0.281
Re 0.498 0.498 0.498
Re 0.998 0.998 0.998
O 0.740 0.125 0.368
O 0.368 0.740 0.125
O 0.868 0.625 0.240
O 0.240 0.868 0.625
O 0.625 0.240 0.868
O 0.125 0.368 0.740 |
Below is a description of a material. | The chemical formula is: LiTl2Rh.
The XRD pattern shows main peaks at: 22.9°(0.1), 26.5°(0.4), 37.9°(1.0), 46.8°(0.12), 54.6°(0.17), 61.7°(0.16), 68.4°(0.37), 80.9°(0.11), 87.0°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-41719 | 4.75 4.75 4.75
60 60 60
Li 0.250 0.250 0.250
Tl 0.000 0.000 0.000
Tl 0.500 0.500 0.500
Rh 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: Tc8Os.
The XRD pattern shows main peaks at: 40.3°(1.0), 46.9°(0.5), 68.5°(0.31), 82.6°(0.36), 87.2°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-190801 | 3.87 6.12 6.12
95 108 71
Os -0.000 0.000 -0.000
Tc 0.666 -0.000 0.331
Tc 0.334 0.000 0.669
Tc -0.000 0.332 0.332
Tc 0.334 0.331 -0.000
Tc 0.668 0.332 0.668
Tc 0.666 0.669 0.000
Tc 0.000 0.668 0.668
Tc 0.332 0.668 0.332 |
Below is a description of a material. | The chemical formula is: CdAg2SnS4.
The XRD pattern shows main peaks at: 24.6°(0.34), 25.1°(0.6), 26.1°(0.72), 27.7°(0.29), 28.3°(1.0), 36.4°(0.32), 43.5°(0.53), 44.5°(0.25), 46.9°(0.17), 47.4°(0.39), 51.3°(0.22), 51.7°(0.2), 52.3°(0.26), 53.3°(0.13), 58.7°(0.05), 66.6°(0.11), 74.6°(0.07), 81.2°(0.08), 81.9°(0.06), 84.... | JVASP-109779 | 4.08 6.82 7.25
89 90 90
Cd 0.000 0.110 0.174
Ag 0.500 0.136 0.670
Ag 0.500 0.648 0.312
Sn 0.000 0.635 0.843
S 0.500 0.510 0.665
S 0.000 0.495 0.151
S 0.500 0.010 0.348
S 0.000 0.990 0.837 |
Below is a description of a material. | The chemical formula is: BCl.
The XRD pattern shows main peaks at: 26.9°(1.0), 31.9°(0.36), 42.2°(0.5), 47.5°(0.3), 55.4°(0.1), 58.4°(0.29), 65.4°(0.12), 73.3°(0.08), 75.9°(0.07), 84.7°(0.11), 86.0°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-133749 | 3.83 3.83 2.80
90 90 120
B 0.000 0.000 0.000
Cl 0.333 0.667 0.000 |
Below is a description of a material. | The chemical formula is: DyGa2Ni.
The XRD pattern shows main peaks at: 23.2°(0.11), 27.0°(0.16), 34.5°(0.12), 35.9°(1.0), 37.1°(0.74), 38.4°(0.38), 43.7°(0.34), 44.3°(0.13), 45.0°(0.21), 54.6°(0.11), 55.6°(0.12), 59.6°(0.19), 64.5°(0.15), 67.0°(0.12), 69.4°(0.16), 73.3°(0.11), 75.2°(0.1), 75.9°(0.09), 79.1°(0.08), 81.8... | JVASP-90620 | 4.14 5.43 6.60
90 90 112
Dy 0.426 0.851 0.250
Dy 0.574 0.149 0.750
Ga 0.141 0.282 0.447
Ga 0.859 0.718 0.553
Ga 0.141 0.282 0.053
Ga 0.859 0.718 0.947
Ni 0.708 0.417 0.250
Ni 0.292 0.583 0.750 |
Below is a description of a material. | The chemical formula is: Be2TlCl.
The XRD pattern shows main peaks at: 11.3°(1.0), 22.6°(0.24), 28.5°(0.23), 30.7°(0.69), 34.2°(0.15), 36.7°(0.45), 40.7°(0.2), 42.4°(0.2), 45.1°(0.16), 47.1°(0.15), 54.2°(0.16), 55.2°(0.11), 60.2°(0.07), 63.3°(0.07), 66.6°(0.09), 68.0°(0.14), 70.0°(0.08), 71.5°(0.13), 77.2°(0.07), 85.0°... | JVASP-67605 | 3.13 3.13 7.86
90 90 90
Be 0.000 0.000 0.190
Be 0.500 0.500 0.119
Tl 0.500 0.500 0.752
Cl 0.000 0.000 0.439 |
Below is a description of a material. | The chemical formula is: CaRh.
The XRD pattern shows main peaks at: 10.4°(0.78), 16.8°(1.0), 19.8°(0.83), 23.8°(0.47), 26.0°(0.4), 27.0°(0.12), 31.9°(0.09), 33.9°(0.18), 35.5°(0.16), 36.1°(0.2), 38.0°(0.26), 39.5°(0.25), 40.0°(0.16), 46.2°(0.15), 47.1°(0.1), 49.5°(0.12), 50.3°(0.16), 55.6°(0.08), 56.0°(0.09), 58.5°(0.1... | JVASP-115819 | 5.29 5.29 8.47
90 90 90
Ca 0.000 0.000 -0.029
Rh 0.000 0.000 0.233 |
Below is a description of a material. | The chemical formula is: PmPPdO.
The XRD pattern shows main peaks at: 22.3°(0.15), 24.3°(0.45), 31.2°(1.0), 32.7°(0.78), 33.7°(0.23), 38.2°(0.52), 40.4°(0.07), 43.8°(0.53), 49.7°(0.06), 50.8°(0.15), 54.8°(0.4), 55.9°(0.44), 56.4°(0.22), 63.7°(0.17), 72.7°(0.08), 73.5°(0.17), 74.1°(0.1), 76.8°(0.12), 88.9°(0.11), 89.8°(... | JVASP-159759 | 4.13 4.13 7.97
90 90 90
Pm 0.000 0.000 0.139
Pm 0.500 0.500 0.861
P 0.500 0.500 0.342
P 0.000 0.000 0.658
Pd 0.500 0.000 0.500
Pd 0.000 0.500 0.500
O 0.500 0.000 0.000
O 0.000 0.500 0.000 |
Below is a description of a material. | The chemical formula is: NdSnRh.
The XRD pattern shows main peaks at: 32.2°(1.0), 35.1°(0.95), 36.5°(0.52), 41.6°(0.31), 42.7°(0.23), 43.8°(0.3), 50.5°(0.11), 55.5°(0.17), 58.3°(0.27), 62.0°(0.19), 66.5°(0.31), 69.0°(0.08), 73.2°(0.09), 74.8°(0.1).
Generate atomic structure description with lattice lengths, angles, coo... | JVASP-56741 | 7.52 7.52 4.13
90 90 119
Nd 0.412 0.000 0.000
Nd 0.000 0.412 0.000
Nd 0.588 0.588 0.000
Sn 0.000 0.748 0.500
Sn 0.748 0.000 0.500
Sn 0.252 0.252 0.500
Rh 0.000 0.000 0.000
Rh 0.333 0.667 0.500
Rh 0.667 0.333 0.500 |
Below is a description of a material. | The chemical formula is: Tc2RhW.
The XRD pattern shows main peaks at: 25.6°(0.09), 40.1°(1.0), 46.6°(0.35), 68.2°(0.24), 82.0°(0.25), 86.7°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-188429 | 4.76 4.76 4.76
131 131 70
Rh 0.750 0.250 0.500
Tc -0.000 -0.000 -0.000
Tc 0.250 0.750 0.500
W 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: Tm3AlC.
The XRD pattern shows main peaks at: 16.9°(0.43), 24.0°(0.17), 29.5°(1.0), 34.2°(0.6), 38.3°(0.22), 42.2°(0.08), 49.1°(0.46), 52.3°(0.11), 58.3°(0.46), 61.1°(0.16), 63.9°(0.05), 71.9°(0.08), 74.5°(0.07), 79.6°(0.19), 82.1°(0.21).
Generate atomic structure description with lattice length... | JVASP-55105 | 5.25 5.25 5.25
90 90 90
Tm 0.500 0.500 0.000
Tm 0.500 0.000 0.500
Tm 0.000 0.500 0.500
Al 0.500 0.500 0.500
C 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Ta3Ru.
The XRD pattern shows main peaks at: 39.2°(1.0), 39.6°(0.48), 56.1°(0.08), 57.2°(0.16), 70.8°(0.17), 71.6°(0.32), 84.3°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-194260 | 3.22 3.22 6.56
90 90 90
Ru -0.000 -0.000 0.000
Ta -0.000 -0.000 0.500
Ta 0.500 0.500 0.243
Ta 0.500 0.500 0.757 |
Below is a description of a material. | The chemical formula is: TcF3.
The XRD pattern shows main peaks at: 13.8°(1.0), 27.8°(0.2), 31.8°(0.27), 34.8°(0.88), 37.9°(0.16), 42.2°(0.09), 42.7°(0.58), 45.3°(0.11), 53.8°(0.22), 56.0°(0.08), 56.4°(0.12), 57.4°(0.08), 62.7°(0.13), 67.1°(0.07), 68.2°(0.27), 69.1°(0.09), 71.2°(0.05), 76.9°(0.07), 81.9°(0.07), 82.6°(0... | JVASP-127604 | 3.06 3.06 6.42
90 90 113
Tc 0.125 0.125 0.138
F 0.401 0.401 0.607
F 0.598 0.598 0.392
F 0.875 0.875 0.862 |
Below is a description of a material. | The chemical formula is: Li2Cu.
The XRD pattern shows main peaks at: 22.5°(0.95), 22.8°(1.0), 23.3°(0.86), 37.0°(0.43), 39.5°(0.33), 40.3°(0.33), 40.8°(0.31), 43.8°(0.5), 46.0°(0.14), 46.6°(0.14), 47.6°(0.12), 55.2°(0.25), 55.8°(0.24), 56.2°(0.24), 60.4°(0.11), 60.9°(0.11), 61.7°(0.11), 63.9°(0.1), 74.4°(0.11), 76.2°(0... | JVASP-135295 | 4.48 2.43 4.43
90 118 90
Li -0.202 0.000 -0.199
Li 0.136 0.000 0.466
Cu 0.467 0.000 0.133 |
Below is a description of a material. | The chemical formula is: HfMg6Co.
The XRD pattern shows main peaks at: 16.0°(0.51), 16.6°(1.0), 18.6°(0.15), 24.6°(0.22), 25.1°(0.32), 28.2°(0.21), 29.4°(0.14), 33.7°(0.42), 34.0°(0.27), 37.5°(0.62), 38.7°(0.63), 41.5°(0.23), 47.6°(0.21), 48.4°(0.15), 51.5°(0.25), 61.9°(0.12), 68.0°(0.1), 68.8°(0.12), 71.7°(0.09), 73.9... | JVASP-94137 | 6.33 6.33 4.77
90 90 122
Hf 0.306 0.194 0.750
Mg 0.176 0.839 0.250
Mg 0.661 0.324 0.250
Mg 0.673 0.827 0.250
Mg 0.318 0.670 0.750
Mg 0.830 0.182 0.750
Mg 0.833 0.667 0.750
Co 0.202 0.298 0.250 |
Below is a description of a material. | The chemical formula is: ZnRh7.
The XRD pattern shows main peaks at: 40.8°(1.0), 47.5°(0.51), 69.5°(0.28), 83.8°(0.37), 88.5°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-191595 | 5.41 5.41 5.41
60 60 60
Zn 0.000 0.000 0.000
Rh 0.500 0.500 -0.000
Rh 0.000 -0.000 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 0.500 0.500
Rh 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: HfPt3.
The XRD pattern shows main peaks at: 38.7°(1.0), 45.0°(0.47), 65.5°(0.32), 78.7°(0.4), 83.0°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-35707 | 4.03 4.03 4.03
90 90 90
Hf 0.000 0.000 0.000
Pt 0.500 0.500 0.000
Pt 0.500 0.000 0.500
Pt 0.000 0.500 0.500 |
Below is a description of a material. | The chemical formula is: SbO2.
The XRD pattern shows main peaks at: 29.2°(1.0), 33.8°(0.26), 48.6°(0.48), 57.7°(0.37), 60.6°(0.06), 71.2°(0.09), 78.8°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-16936 | 3.75 3.75 3.75
59 59 59
Sb 0.500 0.500 0.500
O 0.750 0.750 0.750
O 0.250 0.250 0.250 |
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