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: ScFeGe.
The XRD pattern shows main peaks at: 15.8°(0.1), 22.8°(0.12), 27.5°(0.26), 36.0°(0.61), 39.6°(1.0), 42.6°(0.4), 46.5°(0.33), 48.9°(0.61), 54.9°(0.08), 56.8°(0.09), 64.5°(0.11), 64.9°(0.2), 69.6°(0.16), 76.4°(0.05), 78.1°(0.26), 81.6°(0.11), 82.6°(0.1), 88.1°(0.1).
Generate atomic struct... | JVASP-16161 | 6.48 6.48 3.90
90 90 120
Sc -0.000 0.421 0.500
Sc 0.579 0.579 0.500
Sc 0.421 -0.000 0.500
Fe 0.000 0.771 0.000
Fe 0.229 0.229 0.000
Fe 0.771 0.000 0.000
Ge 0.000 0.000 0.500
Ge 0.333 0.667 0.000
Ge 0.667 0.333 0.000 |
Below is a description of a material. | The chemical formula is: Ca3AsP.
The XRD pattern shows main peaks at: 16.4°(0.8), 23.3°(0.4), 28.7°(0.27), 33.3°(1.0), 37.3°(0.46), 41.0°(0.19), 47.7°(0.71), 50.8°(0.22), 53.8°(0.09), 56.7°(0.08), 59.4°(0.25), 62.1°(0.1), 64.7°(0.1), 69.8°(0.11), 72.3°(0.12), 79.6°(0.28), 81.9°(0.08), 89.0°(0.24).
Generate atomic struc... | JVASP-93255 | 5.39 5.39 5.39
90 90 90
Ca 0.000 0.500 0.500
Ca 0.500 0.000 0.500
Ca 0.500 0.500 0.000
As 0.500 0.500 0.500
P 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Li2TiNiO4.
The XRD pattern shows main peaks at: 18.4°(1.0), 35.7°(0.3), 36.3°(0.15), 37.4°(0.1), 43.3°(0.58), 44.0°(0.28), 47.6°(0.12), 57.2°(0.11), 63.1°(0.22), 63.8°(0.15), 66.0°(0.05), 66.9°(0.05), 79.8°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates a... | JVASP-43671 | 5.03 2.96 5.10
90 108 90
Li 0.000 0.000 0.000
Li 0.500 0.500 0.000
Ti 0.500 0.000 0.500
Ni -0.000 0.500 0.500
O 0.745 0.000 0.268
O 0.273 0.500 0.267
O 0.255 0.000 0.732
O 0.727 0.500 0.733 |
Below is a description of a material. | The chemical formula is: LiMg6Co.
The XRD pattern shows main peaks at: 12.6°(1.0), 36.1°(0.46), 37.8°(0.97), 40.0°(0.22), 46.5°(0.15), 47.9°(0.16), 51.9°(0.14), 57.0°(0.07), 66.0°(0.12), 69.4°(0.13), 80.7°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-94125 | 7.05 9.97 3.23
90 90 135
Li 0.250 0.875 0.250
Mg 0.750 0.375 0.250
Mg 0.750 0.875 0.250
Mg 0.250 0.161 0.750
Mg 0.250 0.589 0.750
Mg 0.822 0.161 0.750
Mg 0.678 0.589 0.750
Co 0.250 0.375 0.250 |
Below is a description of a material. | The chemical formula is: Ba3SbO.
The XRD pattern shows main peaks at: 28.5°(1.0), 33.0°(0.61), 47.3°(0.41), 56.2°(0.45), 58.9°(0.15), 69.2°(0.07), 76.4°(0.18), 78.8°(0.2), 88.1°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-188054 | 5.43 5.43 5.43
90 90 90
Sb 0.500 0.500 0.500
Ba 0.000 0.500 0.000
Ba 0.000 0.000 0.500
Ba 0.500 0.000 0.000
O 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: CeS.
The XRD pattern shows main peaks at: 27.1°(0.85), 31.4°(1.0), 45.0°(0.77), 53.3°(0.32), 55.9°(0.27), 65.4°(0.09), 72.2°(0.14), 74.3°(0.24), 82.9°(0.21), 89.2°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-17753 | 4.04 4.04 5.69
90 90 90
Ce 0.000 0.500 0.250
Ce 0.500 0.000 0.750
S 0.500 0.000 0.250
S 0.000 0.500 0.750 |
Below is a description of a material. | The chemical formula is: SnH8N2F6.
The XRD pattern shows main peaks at: 16.9°(1.0), 18.7°(0.2), 25.3°(0.82), 29.4°(0.22), 35.1°(0.25), 39.2°(0.47), 41.9°(0.14), 45.7°(0.13), 48.8°(0.17), 49.8°(0.24), 52.0°(0.24), 60.9°(0.18), 67.2°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates a... | JVASP-24004 | 6.07 6.07 4.73
90 90 119
Sn 0.000 0.000 0.000
H 0.759 0.517 0.616
H 0.759 0.241 0.616
H 0.517 0.759 0.384
H 0.483 0.241 0.616
H 0.241 0.483 0.384
H 0.667 0.333 0.912
H 0.333 0.667 0.088
H 0.241 0.759 0.384
N 0.333 0.667 0.307
N 0.667 0.333 0.693
F 0.158 0.316 0.764
F 0.842 0.684 0.236
F 0.842 0.158 0.236
F 0.316 0.158 ... |
Below is a description of a material. | The chemical formula is: BiS2.
The XRD pattern shows main peaks at: 23.4°(1.0), 24.4°(0.31), 32.0°(0.09), 34.7°(0.47), 40.4°(0.32), 40.8°(0.33), 42.2°(0.33), 50.0°(0.17), 52.1°(0.1), 55.9°(0.09), 66.7°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-138273 | 4.58 4.62 4.58
68 111 74
Bi 0.850 0.176 0.052
S 0.600 0.924 0.554
S 0.100 0.427 0.551 |
Below is a description of a material. | The chemical formula is: NdSb2.
The XRD pattern shows main peaks at: 22.3°(0.07), 24.9°(0.17), 28.2°(0.12), 29.9°(0.51), 32.5°(1.0), 34.5°(0.45), 41.2°(0.55), 43.6°(0.09), 48.1°(0.18), 58.5°(0.1), 59.9°(0.09), 68.5°(0.29), 71.0°(0.1), 88.6°(0.06).
Generate atomic structure description with lattice lengths, angles, coor... | JVASP-142101 | 4.42 4.42 18.35
90 90 91
Nd 0.359 0.359 0.890
Nd 0.641 0.641 0.110
Nd 0.141 0.141 0.390
Nd 0.859 0.859 0.610
Sb 0.363 0.363 0.564
Sb 0.637 0.637 0.436
Sb 0.137 0.137 0.064
Sb 0.863 0.863 0.936
Sb 0.375 0.875 0.750
Sb 0.125 0.625 0.250
Sb 0.625 0.125 0.250
Sb 0.875 0.375 0.750 |
Below is a description of a material. | The chemical formula is: VS2.
The XRD pattern shows main peaks at: 13.9°(1.0), 33.1°(0.25), 35.4°(0.33), 38.8°(0.23), 43.3°(0.57), 57.7°(0.21), 59.7°(0.1), 74.8°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-149329 | 3.19 3.19 12.75
90 90 119
V 0.000 0.000 0.000
V 0.000 0.000 0.500
S 0.333 0.667 0.115
S 0.667 0.333 0.615
S 0.333 0.667 0.385
S 0.667 0.333 0.885 |
Below is a description of a material. | The chemical formula is: Tb2CdCu2.
The XRD pattern shows main peaks at: 26.4°(0.18), 29.4°(0.09), 34.0°(0.54), 36.1°(1.0), 37.7°(0.42), 43.3°(0.06), 49.4°(0.15), 49.9°(0.15), 51.4°(0.05), 56.1°(0.17), 57.6°(0.16), 63.8°(0.17), 68.3°(0.11), 72.2°(0.08), 72.8°(0.1), 83.6°(0.08).
Generate atomic structure description with... | JVASP-108909 | 7.54 7.54 3.69
90 90 90
Tb 0.674 0.174 0.500
Tb 0.326 0.826 0.500
Tb 0.174 0.326 0.500
Tb 0.826 0.674 0.500
Cd 0.000 0.000 0.000
Cd 0.500 0.500 0.000
Cu 0.120 0.620 0.000
Cu 0.880 0.380 0.000
Cu 0.620 0.880 0.000
Cu 0.380 0.120 0.000 |
Below is a description of a material. | The chemical formula is: Zr2NbAu.
The XRD pattern shows main peaks at: 18.7°(0.11), 26.5°(0.06), 31.7°(0.06), 37.0°(1.0), 37.9°(0.42), 52.1°(0.08), 54.6°(0.16), 66.1°(0.17), 67.8°(0.33), 78.8°(0.11), 80.9°(0.05), 88.4°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types... | JVASP-187292 | 3.51 4.75 4.75
90 90 90
Nb 0.500 0.500 0.500
Au 0.500 0.000 -0.000
Zr 0.000 0.000 0.500
Zr 0.000 0.500 -0.000 |
Below is a description of a material. | The chemical formula is: ZnH4C4O4.
The XRD pattern shows main peaks at: 12.3°(1.0), 23.1°(0.22), 26.8°(0.34), 28.0°(0.32), 28.5°(0.47), 30.1°(0.19), 32.6°(0.16), 35.5°(0.11), 37.7°(0.14), 40.2°(0.16), 41.0°(0.09), 44.5°(0.08), 45.4°(0.11), 47.8°(0.13), 48.7°(0.1), 50.1°(0.06), 50.9°(0.08), 57.4°(0.07).
Generate atomic ... | JVASP-103903 | 3.70 4.31 7.33
80 87 74
Zn 0.840 0.934 0.285
H 0.983 0.611 0.673
H 0.159 0.176 0.738
H 0.522 0.692 0.832
H 0.697 0.256 0.897
C 0.465 0.393 0.527
C 0.235 0.408 0.703
C 0.445 0.460 0.867
C 0.215 0.474 0.043
O 0.406 0.647 0.400
O 0.710 0.125 0.514
O 0.275 0.221 0.170
O 0.970 0.743 0.056 |
Below is a description of a material. | The chemical formula is: MgBH.
The XRD pattern shows main peaks at: 26.5°(1.0), 32.3°(0.52), 42.2°(0.57), 46.8°(0.49), 54.6°(0.13), 58.0°(0.47), 64.8°(0.16), 73.9°(0.11), 83.7°(0.14), 86.1°(0.13), 86.9°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-120829 | 3.88 3.88 2.77
90 90 120
Mg 0.667 0.333 0.000
B 0.000 0.000 0.000
H 0.333 0.667 0.000 |
Below is a description of a material. | The chemical formula is: Nb3B4.
The XRD pattern shows main peaks at: 25.1°(0.08), 27.4°(0.54), 32.8°(0.1), 34.2°(0.94), 38.1°(0.3), 39.3°(0.1), 41.4°(1.0), 41.8°(0.69), 47.2°(0.18), 53.8°(0.12), 55.0°(0.19), 58.5°(0.16), 66.3°(0.36), 66.7°(0.28), 68.8°(0.1), 71.9°(0.09), 74.4°(0.24), 79.7°(0.06), 84.5°(0.1).
Generate a... | JVASP-7647 | 3.16 3.34 7.46
102 102 90
Nb 0.185 0.185 0.371
Nb 0.815 0.815 0.629
Nb 0.500 0.000 -0.000
B 0.936 0.436 0.872
B 0.064 0.564 0.128
B 0.368 0.368 0.737
B 0.632 0.632 0.263 |
Below is a description of a material. | The chemical formula is: Zr3C2.
The XRD pattern shows main peaks at: 32.8°(1.0), 33.3°(0.29), 38.2°(0.86), 54.8°(0.29), 55.5°(0.28), 65.7°(0.26), 66.3°(0.12), 68.8°(0.14), 81.8°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-194581 | 3.35 3.35 8.06
90 90 120
C 0.667 0.333 0.175
C 0.333 0.667 0.825
Zr 0.000 -0.000 -0.000
Zr 0.667 0.333 0.679
Zr 0.333 0.667 0.321 |
Below is a description of a material. | The chemical formula is: TaBiO4.
The XRD pattern shows main peaks at: 15.2°(0.14), 22.5°(0.27), 23.7°(1.0), 25.8°(0.85), 28.6°(0.45), 30.6°(0.57), 32.2°(0.89), 33.4°(0.72), 38.0°(0.29), 40.3°(0.16), 45.7°(0.32), 48.7°(0.19), 49.8°(0.18), 51.4°(0.39), 52.9°(0.41), 54.8°(0.15), 56.0°(0.21), 59.4°(0.19), 60.1°(0.21), 62.6... | JVASP-134202 | 6.21 6.21 3.98
95 95 37
Ta 0.001 0.001 0.053
Bi 0.282 0.282 0.682
O 0.006 0.006 0.524
O 0.826 0.826 0.923
O 0.166 0.166 0.068
O 0.469 0.469 0.001 |
Below is a description of a material. | The chemical formula is: Yb2SrS4.
The XRD pattern shows main peaks at: 14.6°(0.23), 21.2°(0.08), 25.2°(0.53), 25.8°(1.0), 32.4°(0.4), 33.7°(0.68), 39.0°(0.43), 40.1°(0.4), 41.1°(0.06), 46.6°(0.16), 48.1°(0.25), 48.5°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-53518 | 7.38 7.38 7.38
110 110 106
Yb 0.126 0.750 0.876
Yb 0.250 0.626 0.376
Yb 0.374 0.250 0.624
Yb 0.750 0.874 0.124
Sr 0.625 0.375 0.250
Sr 0.875 0.125 0.750
S 0.032 0.855 0.512
S 0.020 0.343 0.488
S 0.145 0.157 0.178
S 0.355 0.532 0.012
S 0.657 0.645 0.678
S 0.468 0.980 0.822
S 0.480 0.968 0.322
S 0.843 0.520 0.988 |
Below is a description of a material. | The chemical formula is: DyGeRu.
The XRD pattern shows main peaks at: 23.5°(0.12), 34.5°(0.71), 34.9°(1.0), 35.7°(0.28), 39.6°(0.19), 40.6°(0.59), 41.2°(0.09), 42.7°(0.39), 45.6°(0.06), 55.2°(0.17), 58.0°(0.25), 58.8°(0.2), 66.0°(0.08), 69.0°(0.26), 70.3°(0.18), 73.7°(0.07), 75.8°(0.08), 80.5°(0.09), 88.1°(0.05).
Gener... | JVASP-23357 | 4.44 7.02 7.23
90 90 90
Dy 0.250 0.985 0.808
Dy 0.750 0.015 0.192
Dy 0.250 0.485 0.692
Dy 0.750 0.515 0.308
Ge 0.250 0.297 0.106
Ge 0.750 0.703 0.894
Ge 0.250 0.797 0.394
Ge 0.750 0.203 0.606
Ru 0.750 0.844 0.564
Ru 0.250 0.156 0.436
Ru 0.750 0.344 0.936
Ru 0.250 0.656 0.064 |
Below is a description of a material. | The chemical formula is: Mn2NiO6.
The XRD pattern shows main peaks at: 19.7°(1.0), 36.3°(0.08), 37.6°(0.35), 41.7°(0.23), 47.6°(0.36), 55.2°(0.13), 63.9°(0.16), 65.1°(0.05), 66.2°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-12702 | 4.96 4.96 9.00
90 90 120
Mn 0.667 0.333 0.000
Mn 0.833 0.167 0.500
Mn 0.333 0.667 0.000
Mn 0.167 0.833 0.500
Ni 0.000 0.000 0.000
Ni 0.500 0.500 0.500
O 0.170 0.500 0.394
O 0.331 0.331 0.106
O 0.169 0.169 0.606
O 0.670 0.000 0.106
O 0.000 0.670 0.106
O 0.669 0.669 0.894
O 0.831 0.831 0.394
O 0.500 0.170 0.394
O 0.830 0... |
Below is a description of a material. | The chemical formula is: LiBeBr.
The XRD pattern shows main peaks at: 12.9°(1.0), 24.0°(0.79), 26.0°(0.18), 27.4°(0.7), 34.2°(0.3), 35.7°(0.35), 36.7°(0.34), 39.5°(0.1), 43.5°(0.2), 46.8°(0.23), 49.2°(0.09), 51.0°(0.11), 53.2°(0.15), 55.4°(0.14), 56.5°(0.09), 57.2°(0.17), 59.5°(0.08), 62.2°(0.13), 64.8°(0.09), 70.2°(0.... | JVASP-138085 | 3.71 3.71 6.84
90 90 90
Li 0.000 0.000 0.659
Be 0.000 0.000 0.314
Br 0.000 0.000 0.010 |
Below is a description of a material. | The chemical formula is: HoNiSb2.
The XRD pattern shows main peaks at: 22.5°(0.09), 28.0°(0.09), 28.8°(0.15), 30.5°(0.2), 34.9°(1.0), 35.5°(0.26), 38.8°(0.07), 41.4°(0.47), 51.2°(0.1), 53.6°(0.15), 55.6°(0.14), 58.0°(0.08), 59.9°(0.15), 69.9°(0.13), 71.3°(0.22).
Generate atomic structure description with lattice length... | JVASP-90750 | 4.37 4.37 9.29
90 90 90
Ho 0.750 0.750 0.737
Ho 0.250 0.250 0.263
Ni 0.250 0.750 0.500
Ni 0.750 0.250 0.500
Sb 0.250 0.750 0.000
Sb 0.750 0.250 0.000
Sb 0.750 0.750 0.355
Sb 0.250 0.250 0.645 |
Below is a description of a material. | The chemical formula is: Ca2CuTe2F2.
The XRD pattern shows main peaks at: 9.4°(0.24), 24.4°(0.54), 28.5°(0.07), 29.5°(1.0), 32.0°(0.21), 36.6°(0.08), 37.4°(0.43), 43.3°(0.16), 44.9°(0.25), 45.8°(0.32), 50.7°(0.16), 52.6°(0.13), 55.4°(0.3), 66.1°(0.15), 66.8°(0.1), 68.9°(0.06), 74.7°(0.06), 79.1°(0.08), 83.0°(0.05), 88.... | JVASP-155564 | 3.96 3.96 9.39
90 90 90
Ca 0.500 0.000 0.137
Ca 0.000 0.500 0.863
Cu 0.000 0.000 0.500
Te 0.000 0.500 0.325
Te 0.500 0.000 0.675
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: LiMgP.
The XRD pattern shows main peaks at: 31.1°(1.0), 44.5°(0.96), 55.3°(0.23), 64.8°(0.16), 73.6°(0.29), 82.0°(0.3).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-15909 | 4.07 4.07 4.07
60 60 60
Li 0.250 0.250 0.250
Mg 0.500 0.500 0.500
P 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: NaLiAs.
The XRD pattern shows main peaks at: 24.6°(0.56), 28.5°(1.0), 40.8°(0.84), 48.2°(0.28), 50.5°(0.26), 59.0°(0.15), 64.9°(0.12), 66.8°(0.32), 74.2°(0.29), 79.5°(0.09), 88.3°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-75486 | 4.43 4.43 4.43
60 60 60
Na 0.000 0.000 0.000
Li 0.750 0.750 0.750
As 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: TaN.
The XRD pattern shows main peaks at: 30.2°(0.49), 35.5°(1.0), 47.3°(0.96), 62.8°(0.08), 63.7°(0.23), 72.1°(0.26), 74.2°(0.25), 75.1°(0.12), 83.0°(0.21).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-56551 | 2.92 2.92 5.92
90 90 120
Ta 0.000 0.000 0.000
Ta 0.000 0.000 0.500
N 0.333 0.667 0.750
N 0.667 0.333 0.250 |
Below is a description of a material. | The chemical formula is: TePd.
The XRD pattern shows main peaks at: 24.4°(0.15), 28.9°(0.88), 39.8°(1.0), 42.9°(0.77), 52.6°(0.18), 53.9°(0.17), 60.0°(0.31), 64.6°(0.08), 70.1°(0.14), 71.2°(0.07), 76.6°(0.27), 78.6°(0.12), 80.7°(0.23), 86.9°(0.09).
Generate atomic structure description with lattice lengths, angles, coo... | JVASP-14784 | 4.21 4.21 5.77
90 90 120
Te 0.333 0.667 0.250
Te 0.667 0.333 0.750
Pd 0.000 0.000 0.000
Pd 0.000 0.000 0.500 |
Below is a description of a material. | The chemical formula is: Cr4OF11.
The XRD pattern shows main peaks at: 24.8°(1.0), 25.2°(0.5), 34.4°(0.32), 37.0°(0.06), 42.1°(0.26), 42.6°(0.15), 45.0°(0.11), 51.0°(0.16), 51.8°(0.07), 55.9°(0.32), 56.5°(0.16), 59.5°(0.07), 64.7°(0.06), 66.2°(0.14), 66.9°(0.07).
Generate atomic structure description with lattice lengt... | JVASP-48414 | 4.86 5.24 7.20
95 90 90
Cr 0.502 0.500 0.499
Cr 0.482 0.487 0.002
Cr 0.002 0.000 0.499
Cr 0.012 0.016 0.002
O 0.186 0.313 0.066
F 0.143 0.995 0.749
F 0.179 0.678 0.431
F 0.326 0.176 0.427
F 0.314 0.815 0.069
F 0.360 0.497 0.749
F 0.638 0.502 0.249
F 0.684 0.182 0.927
F 0.678 0.824 0.572
F 0.825 0.322 0.569
F 0.808 0.69... |
Below is a description of a material. | The chemical formula is: Mg2Pd.
The XRD pattern shows main peaks at: 19.9°(1.0), 28.2°(0.26), 31.4°(0.06), 37.4°(0.58), 40.3°(0.28), 42.7°(0.58), 45.3°(0.38), 52.0°(0.13), 56.2°(0.2), 58.4°(0.05), 66.1°(0.1), 67.8°(0.1), 71.4°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and at... | JVASP-193182 | 5.30 5.30 5.30
106 106 115
Mg 0.180 0.680 0.860
Mg 0.320 0.180 0.500
Mg 0.820 0.320 0.140
Mg 0.680 0.820 0.500
Pd 0.250 0.250 0.000
Pd 0.750 0.750 0.000 |
Below is a description of a material. | The chemical formula is: MgZn5.
The XRD pattern shows main peaks at: 6.9°(0.31), 13.8°(0.06), 34.8°(0.27), 40.9°(1.0), 62.4°(0.17), 77.4°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-94385 | 2.98 2.98 12.82
90 90 120
Mg 0.667 0.333 0.000
Zn 0.000 0.000 0.823
Zn 0.667 0.333 0.661
Zn 0.000 0.000 0.500
Zn 0.667 0.333 0.339
Zn 0.000 0.000 0.177 |
Below is a description of a material. | The chemical formula is: BeCuBr.
The XRD pattern shows main peaks at: 15.3°(0.05), 25.2°(1.0), 28.5°(0.62), 30.9°(0.44), 38.4°(0.53), 40.3°(0.43), 42.4°(0.21), 42.7°(0.22), 49.9°(0.26), 50.2°(0.27), 51.8°(0.13), 59.0°(0.09), 60.2°(0.14), 61.5°(0.12), 65.2°(0.13), 69.1°(0.11), 70.2°(0.07), 73.6°(0.06), 74.1°(0.07), 82.3... | JVASP-138076 | 3.13 6.57 3.53
90 90 118
Be 0.334 0.001 0.000
Cu 0.562 0.725 0.000
Br 0.104 0.273 0.000 |
Below is a description of a material. | The chemical formula is: Tb8Au.
The XRD pattern shows main peaks at: 3.7°(0.26), 7.3°(0.06), 28.9°(0.35), 29.6°(0.11), 32.3°(1.0), 34.2°(0.67), 50.7°(0.39), 61.4°(0.16), 62.6°(0.13), 83.6°(0.12), 84.6°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-130037 | 3.60 3.60 24.10
90 90 120
Tb 0.000 0.000 0.208
Tb 0.667 0.333 0.089
Tb 0.667 0.333 0.325
Tb 0.667 0.333 0.558
Tb 0.333 0.667 0.442
Tb 0.333 0.667 0.675
Tb 0.333 0.667 0.911
Tb 0.000 0.000 0.792
Au 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Zr2B.
The XRD pattern shows main peaks at: 32.3°(1.0), 37.3°(0.41), 37.9°(0.2), 53.8°(0.11), 54.2°(0.26), 64.1°(0.25), 65.0°(0.12), 67.6°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-185711 | 4.75 3.41 4.82
134 90 89
Zr 0.508 0.065 0.096
Zr 0.008 0.065 0.596
B 0.008 0.065 0.096 |
Below is a description of a material. | The chemical formula is: CaCd2.
The XRD pattern shows main peaks at: 20.7°(0.28), 24.6°(0.38), 32.3°(0.88), 36.2°(1.0), 38.7°(0.07), 44.2°(0.48), 49.3°(0.24), 50.4°(0.09), 63.6°(0.25), 65.1°(0.15), 76.8°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-19714 | 4.97 6.14 6.14
72 66 66
Ca 0.478 0.272 0.772
Ca 0.522 0.728 0.228
Cd 0.834 0.141 0.191
Cd 0.166 0.859 0.809
Cd 0.166 0.309 0.359
Cd 0.834 0.691 0.641 |
Below is a description of a material. | The chemical formula is: ZnClO3.
The XRD pattern shows main peaks at: 21.2°(0.2), 27.9°(1.0), 32.3°(0.45), 38.9°(0.14), 43.2°(0.21), 45.6°(0.28), 46.5°(0.14), 51.4°(0.08), 54.9°(0.18), 57.5°(0.07), 67.1°(0.13), 67.6°(0.14), 74.6°(0.09), 76.5°(0.07).
Generate atomic structure description with lattice lengths, angles, co... | JVASP-120106 | 4.29 4.29 4.29
80 80 80
Zn -0.065 -0.065 -0.065
Cl 0.506 0.506 0.506
O 0.143 0.588 0.588
O 0.588 0.588 0.143
O 0.588 0.143 0.588 |
Below is a description of a material. | The chemical formula is: Ho8P.
The XRD pattern shows main peaks at: 28.6°(0.24), 29.4°(0.29), 30.7°(0.21), 32.4°(1.0), 34.5°(0.4), 50.2°(0.38), 61.0°(0.16), 62.4°(0.07), 82.9°(0.13), 84.0°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-125330 | 3.64 3.64 22.97
90 90 120
Ho 0.000 0.000 0.200
Ho 0.667 0.333 0.074
Ho 0.667 0.333 0.320
Ho 0.667 0.333 0.560
Ho 0.333 0.667 0.440
Ho 0.333 0.667 0.680
Ho 0.333 0.667 0.926
Ho 0.000 0.000 0.800
P 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: CrCo2Si.
The XRD pattern shows main peaks at: 31.7°(0.05), 45.5°(1.0), 66.3°(0.15), 84.1°(0.29).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-36166 | 3.99 3.99 3.99
60 60 60
Cr 0.000 0.000 0.000
Co 0.750 0.750 0.750
Co 0.250 0.250 0.250
Si 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: MgBeCu4.
The XRD pattern shows main peaks at: 22.5°(1.0), 43.9°(0.96), 46.0°(0.87), 53.6°(0.3), 58.9°(0.21), 71.8°(0.25), 79.3°(0.28), 83.7°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-65213 | 4.83 4.83 4.83
60 60 60
Mg 0.250 0.250 0.250
Be 0.000 0.000 0.000
Cu 0.124 0.625 0.625
Cu 0.625 0.625 0.625
Cu 0.625 0.124 0.625
Cu 0.625 0.625 0.124 |
Below is a description of a material. | The chemical formula is: CdOsO4.
The XRD pattern shows main peaks at: 18.3°(0.18), 26.0°(1.0), 33.3°(0.94), 37.0°(0.28), 38.2°(0.06), 50.6°(0.68), 53.4°(0.14), 56.9°(0.08), 60.3°(0.16), 63.5°(0.17), 64.4°(0.19), 69.8°(0.1), 76.6°(0.11), 78.9°(0.05), 81.8°(0.08), 87.6°(0.12), 88.3°(0.12).
Generate atomic structure descr... | JVASP-178753 | 4.85 4.85 3.24
90 90 89
Cd -0.000 0.000 0.000
Os 0.500 0.500 0.500
O 0.237 0.237 0.500
O 0.677 0.323 0.000
O 0.323 0.677 0.000
O 0.763 0.763 0.500 |
Below is a description of a material. | The chemical formula is: Sb2AuXe2F12.
The XRD pattern shows main peaks at: 11.2°(0.24), 11.8°(0.15), 15.9°(0.27), 22.1°(0.16), 22.6°(1.0), 25.1°(0.12), 25.7°(0.41), 26.6°(0.26), 28.7°(0.1), 29.5°(0.11), 32.2°(0.24), 33.6°(0.18), 35.3°(0.17), 37.1°(0.15), 38.3°(0.26), 39.0°(0.17), 40.9°(0.14), 46.0°(0.2), 48.2°(0.2), 49... | JVASP-169836 | 5.17 7.66 7.90
92 89 100
Sb 0.450 0.698 0.749
Sb 0.550 0.302 0.251
Au -0.000 -0.000 0.000
Xe 0.945 0.206 0.726
Xe 0.055 0.794 0.274
F 0.621 0.828 0.961
F 0.379 0.172 0.039
F 0.276 0.586 0.551
F 0.724 0.414 0.449
F 0.139 0.653 0.884
F 0.861 0.347 0.116
F 0.550 0.485 0.819
F 0.450 0.515 0.181
F 0.780 0.768 0.640
F 0.220 ... |
Below is a description of a material. | The chemical formula is: TcSi2.
The XRD pattern shows main peaks at: 22.7°(0.32), 30.2°(0.64), 39.9°(0.7), 44.8°(1.0), 46.4°(0.23), 57.7°(0.23), 72.3°(0.05), 75.9°(0.38), 86.0°(0.2).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-185627 | 3.20 4.53 3.20
69 89 69
Tc 0.127 0.077 0.020
Si 0.794 0.743 0.687
Si 0.460 0.411 0.353 |
Below is a description of a material. | The chemical formula is: CaAsPt.
The XRD pattern shows main peaks at: 21.5°(0.81), 24.1°(0.29), 26.5°(0.5), 32.5°(1.0), 40.9°(0.18), 42.4°(0.75), 43.8°(0.23), 48.1°(0.55), 50.7°(0.15), 54.5°(0.23), 62.6°(0.45), 71.4°(0.21), 77.6°(0.13), 81.7°(0.13).
Generate atomic structure description with lattice lengths, angles, co... | JVASP-156254 | 4.26 4.26 8.26
90 90 120
Ca 0.500 0.500 0.000
Ca 0.500 0.500 0.500
As 0.833 0.167 0.250
As 0.167 0.833 0.750
Pt 0.167 0.833 0.250
Pt 0.833 0.167 0.750 |
Below is a description of a material. | The chemical formula is: Li2MnCoO4.
The XRD pattern shows main peaks at: 18.7°(1.0), 35.2°(0.16), 37.1°(0.27), 38.2°(0.1), 42.2°(0.28), 45.2°(0.45), 48.0°(0.1), 55.9°(0.05), 59.6°(0.08), 63.6°(0.21), 65.4°(0.07), 66.4°(0.07), 81.8°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates a... | JVASP-145522 | 2.93 5.87 8.03
89 89 93
Li 0.965 0.515 0.003
Li 0.535 0.235 0.247
Li 0.499 0.755 0.751
Li 0.001 0.995 0.499
Mn 0.514 0.245 0.750
Mn -0.014 0.505 0.500
Co 0.017 -0.004 -0.000
Co 0.483 0.754 0.250
O 0.542 0.220 0.993
O -0.042 0.530 0.257
O 0.010 0.974 0.238
O 0.490 0.776 0.012
O 0.967 0.496 0.743
O 0.533 0.254 0.507
O 0.... |
Below is a description of a material. | The chemical formula is: MgFe2P2.
The XRD pattern shows main peaks at: 19.8°(0.71), 25.4°(0.06), 38.3°(0.27), 39.0°(1.0), 40.2°(0.08), 47.9°(0.55), 52.3°(0.18), 53.1°(0.45), 56.7°(0.07), 62.9°(0.11), 64.2°(0.08), 70.0°(0.18), 72.2°(0.17), 73.5°(0.06), 77.3°(0.05), 83.2°(0.21), 86.7°(0.05).
Generate atomic structure des... | JVASP-180937 | 5.23 5.23 5.23
137 137 61
Mg -0.000 -0.000 -0.000
Fe 0.250 0.750 0.500
Fe 0.750 0.250 0.500
P 0.627 0.627 0.000
P 0.373 0.373 0.000 |
Below is a description of a material. | The chemical formula is: BaCu2Te2.
The XRD pattern shows main peaks at: 24.7°(0.08), 27.7°(1.0), 30.7°(0.36), 31.9°(0.71), 38.1°(0.12), 38.9°(0.15), 40.3°(0.32), 44.0°(0.25), 46.1°(0.14), 47.7°(0.13), 49.6°(0.08), 50.2°(0.12), 51.5°(0.15), 52.1°(0.11), 52.5°(0.12), 55.3°(0.07), 57.3°(0.09), 65.8°(0.08), 68.1°(0.08).
Ge... | JVASP-163443 | 4.47 10.11 11.57
90 90 90
Ba 0.750 0.757 0.178
Ba 0.250 0.243 0.822
Ba 0.750 0.257 0.322
Ba 0.250 0.743 0.678
Cu 0.250 0.075 0.544
Cu 0.750 0.925 0.456
Cu 0.750 0.425 0.044
Cu 0.250 0.575 0.956
Cu 0.750 0.940 0.885
Cu 0.250 0.060 0.115
Cu 0.750 0.440 0.615
Cu 0.250 0.560 0.385
Te 0.250 0.839 0.963
Te 0.750 0.161 0.037
... |
Below is a description of a material. | The chemical formula is: SnF4.
The XRD pattern shows main peaks at: 18.8°(1.0), 25.0°(0.83), 25.4°(0.81), 32.0°(0.07), 32.6°(0.09), 34.5°(0.1), 36.5°(0.3), 37.4°(0.38), 40.1°(0.33), 41.1°(0.31), 47.8°(0.13), 49.9°(0.12), 50.6°(0.12), 51.3°(0.23), 53.3°(0.21), 54.2°(0.08), 54.7°(0.1), 56.1°(0.1), 56.7°(0.09), 63.1°(0.1)... | JVASP-11274 | 5.59 5.20 5.50
91 120 90
Sn 0.057 0.500 0.001
Sn 0.446 0.001 0.001
F 0.044 0.166 0.781
F 0.459 0.335 0.222
F 0.786 0.836 0.262
F 0.978 0.336 0.262
F 0.718 0.665 0.741
F 0.525 0.165 0.741
F 0.238 0.666 0.781
F 0.265 0.835 0.221 |
Below is a description of a material. | The chemical formula is: NbPd3.
The XRD pattern shows main peaks at: 39.2°(1.0), 45.6°(0.5), 66.5°(0.31), 80.0°(0.37), 84.3°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-126494 | 3.98 3.98 3.98
90 90 90
Nb 0.500 0.000 0.000
Pd 0.500 0.500 0.500
Pd 0.000 0.000 0.500
Pd 0.000 0.500 0.000 |
Below is a description of a material. | The chemical formula is: BrCl2.
The XRD pattern shows main peaks at: 14.6°(0.29), 20.9°(0.15), 26.8°(1.0), 30.7°(0.11), 34.4°(0.27), 38.3°(0.39), 43.6°(0.11), 44.2°(0.2), 44.7°(0.1), 52.0°(0.12), 52.9°(0.12), 55.3°(0.12), 57.4°(0.05), 62.5°(0.16), 66.8°(0.06).
Generate atomic structure description with lattice lengths,... | JVASP-138290 | 6.12 3.32 4.27
90 96 90
Br 0.467 0.000 0.133
Cl -0.233 0.000 -0.164
Cl 0.166 0.000 0.431 |
Below is a description of a material. | The chemical formula is: NbWN3.
The XRD pattern shows main peaks at: 12.9°(1.0), 17.2°(0.29), 21.7°(0.29), 24.5°(0.86), 27.8°(0.51), 31.1°(0.19), 31.4°(0.42), 34.9°(0.4), 36.0°(0.61), 37.2°(0.65), 39.2°(0.08), 43.0°(0.33), 44.2°(0.13), 46.9°(0.44), 52.2°(0.36), 53.3°(0.2), 56.6°(0.07), 57.5°(0.16), 61.3°(0.17), 65.5°(0... | JVASP-104982 | 3.88 5.50 6.89
90 89 110
Nb 0.282 0.063 0.668
Nb 0.718 0.937 0.332
W 0.620 0.739 0.924
W 0.380 0.261 0.076
N 0.452 0.405 0.788
N 0.548 0.595 0.212
N 0.709 0.918 0.639
N 0.291 0.082 0.361
N 0.176 0.851 0.937
N 0.824 0.149 0.063 |
Below is a description of a material. | The chemical formula is: YCo4B.
The XRD pattern shows main peaks at: 33.4°(0.58), 36.0°(0.18), 38.4°(0.15), 39.5°(0.15), 41.8°(0.68), 44.0°(0.1), 45.0°(1.0), 49.9°(0.16), 53.6°(0.14), 63.1°(0.17), 66.3°(0.08), 70.2°(0.14), 71.0°(0.2), 76.4°(0.22), 83.7°(0.1), 86.0°(0.07), 89.6°(0.07).
Generate atomic structure descript... | JVASP-58250 | 4.99 4.99 6.84
90 90 120
Y 0.000 0.000 0.500
Y 0.000 0.000 0.000
Co 0.333 0.667 0.000
Co 0.667 0.333 0.000
Co 0.500 0.500 0.713
Co 0.500 0.000 0.713
Co 0.000 0.500 0.713
Co 0.500 0.500 0.287
Co 0.500 0.000 0.287
Co 0.000 0.500 0.287
B 0.667 0.333 0.500
B 0.333 0.667 0.500 |
Below is a description of a material. | The chemical formula is: CaNi2O4.
The XRD pattern shows main peaks at: 18.7°(0.24), 20.7°(0.07), 26.4°(0.07), 30.6°(0.17), 32.0°(0.32), 33.9°(1.0), 36.1°(0.23), 37.4°(0.22), 40.7°(0.37), 41.9°(0.46), 42.4°(0.11), 45.1°(0.51), 49.4°(0.08), 51.7°(0.08), 57.4°(0.07), 57.8°(0.23), 60.3°(0.21), 64.3°(0.27), 65.2°(0.15), 71.... | JVASP-58580 | 3.07 5.05 9.51
90 90 107
Ca 0.394 0.787 0.750
Ca 0.606 0.213 0.250
Ni 0.861 0.721 0.070
Ni 0.139 0.279 0.930
Ni 0.861 0.721 0.430
Ni 0.139 0.279 0.570
O 0.234 0.468 0.395
O 0.766 0.532 0.605
O 0.766 0.532 0.895
O 0.234 0.468 0.105
O 0.938 0.875 0.250
O 0.062 0.125 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: Sr4SnPbO8.
The XRD pattern shows main peaks at: 7.0°(0.08), 13.9°(0.26), 22.4°(0.11), 30.1°(1.0), 41.6°(0.18), 43.3°(0.31), 45.7°(0.06), 53.6°(0.36), 61.6°(0.12), 62.9°(0.09), 71.3°(0.16), 87.2°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom type... | JVASP-146836 | 4.18 4.18 12.70
90 90 90
Sr 0.500 0.500 0.141
Sr 0.500 0.500 0.859
Sr 0.000 0.000 0.351
Sr 0.000 0.000 0.649
Sn 0.000 0.000 0.000
Pb 0.500 0.500 0.500
O 0.000 0.000 0.163
O 0.000 0.000 0.837
O 0.500 0.500 0.328
O 0.500 0.500 0.672
O 0.000 0.500 0.000
O 0.500 0.000 0.000
O 0.000 0.500 0.500
O 0.500 0.000 0.500 |
Below is a description of a material. | The chemical formula is: Be2SnPt.
The XRD pattern shows main peaks at: 14.9°(0.36), 30.1°(0.17), 32.1°(1.0), 40.3°(0.34), 41.8°(0.35), 43.2°(0.1), 45.9°(0.11), 51.2°(0.15), 58.4°(0.13), 62.7°(0.17), 67.1°(0.07), 68.2°(0.24), 70.1°(0.13), 74.3°(0.15), 77.3°(0.09).
Generate atomic structure description with lattice lengt... | JVASP-67489 | 3.16 3.16 5.93
90 90 90
Be 0.000 0.000 0.045
Be 0.500 0.500 0.270
Sn 0.500 0.500 0.775
Pt 0.000 0.000 0.410 |
Below is a description of a material. | The chemical formula is: KHO.
The XRD pattern shows main peaks at: 24.2°(0.06), 29.6°(0.29), 33.7°(1.0), 35.6°(0.38), 36.8°(0.23), 42.9°(0.38), 43.9°(0.12), 45.6°(0.21), 47.3°(0.16), 55.3°(0.09), 57.8°(0.1), 60.0°(0.09), 60.6°(0.12), 61.4°(0.09), 65.2°(0.05), 67.8°(0.09), 71.6°(0.07), 76.6°(0.06), 79.2°(0.06), 79.7°(0.... | JVASP-149080 | 3.84 3.98 5.28
67 90 90
K 0.250 0.360 0.281
K 0.750 0.640 0.719
H 0.000 0.000 0.000
H 0.500 0.000 0.000
O 0.250 0.081 0.838
O 0.750 0.919 0.162 |
Below is a description of a material. | The chemical formula is: BaZrSe.
The XRD pattern shows main peaks at: 13.9°(0.62), 18.6°(1.0), 19.8°(0.22), 23.3°(0.37), 27.3°(0.21), 28.1°(0.39), 31.5°(0.54), 33.9°(0.44), 36.9°(0.62), 37.8°(0.17), 44.6°(0.14), 45.2°(0.1), 47.7°(0.16), 49.2°(0.16), 50.0°(0.29), 55.6°(0.11), 60.1°(0.12), 63.5°(0.18), 67.6°(0.12), 73.2°... | JVASP-120876 | 6.35 6.35 4.76
90 90 90
Ba 0.377 -0.007 0.000
Zr -0.050 -0.123 0.000
Se 0.058 0.399 0.000 |
Below is a description of a material. | The chemical formula is: Zr2Si.
The XRD pattern shows main peaks at: 33.5°(0.15), 34.6°(1.0), 38.8°(0.13), 43.2°(0.2), 59.1°(0.05), 60.1°(0.12), 60.7°(0.17), 66.4°(0.08), 69.7°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-93927 | 5.34 5.40 5.40
75 60 60
Zr 0.157 0.500 0.185
Zr 0.343 0.815 0.500
Zr 0.657 0.185 0.500
Zr 0.843 0.500 0.815
Si 0.250 0.000 -0.000
Si 0.750 0.000 -0.000 |
Below is a description of a material. | The chemical formula is: CaMn3O4.
The XRD pattern shows main peaks at: 10.0°(0.09), 34.2°(0.81), 39.1°(1.0), 40.9°(0.45), 56.5°(0.28), 57.9°(0.56), 67.8°(0.23), 72.1°(0.26), 84.1°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-100849 | 3.26 3.26 8.82
90 90 90
Ca 0.000 0.000 0.000
Mn 0.500 0.500 0.742
Mn 0.000 0.000 0.500
Mn 0.500 0.500 0.258
O 0.000 0.000 0.263
O 0.500 0.500 0.000
O 0.000 0.000 0.737
O 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: InS.
The XRD pattern shows main peaks at: 21.4°(0.25), 23.7°(0.52), 25.8°(0.7), 29.9°(1.0), 31.1°(0.3), 33.1°(0.52), 39.1°(0.23), 41.1°(0.16), 45.2°(0.72), 46.5°(0.09), 47.7°(0.3), 49.5°(0.47), 52.8°(0.18), 57.2°(0.21), 62.8°(0.12), 64.7°(0.07), 67.9°(0.1), 82.5°(0.07), 83.5°(0.08), 86.8°(0.09)... | JVASP-150000 | 4.48 10.84 6.01
90 138 90
In 0.119 0.120 -0.000
In 0.881 0.620 0.500
In 0.881 0.880 0.000
In 0.119 0.380 0.500
S -0.017 0.349 -0.000
S 0.017 0.849 0.500
S 0.017 0.651 0.000
S -0.017 0.151 0.500 |
Below is a description of a material. | The chemical formula is: NaCu4S4.
The XRD pattern shows main peaks at: 7.3°(0.07), 14.6°(0.28), 26.8°(0.12), 27.8°(0.09), 29.5°(0.15), 30.7°(1.0), 34.9°(0.21), 37.1°(0.12), 40.2°(0.28), 46.3°(0.11), 47.4°(0.63), 49.8°(0.07), 56.8°(0.13), 57.5°(0.16), 61.6°(0.17), 63.9°(0.07), 77.6°(0.12), 88.2°(0.09).
Generate atomic s... | JVASP-18511 | 3.84 3.84 12.13
90 90 120
Na 0.000 0.000 0.500
Cu 0.667 0.333 0.148
Cu 0.333 0.667 0.852
Cu 0.333 0.667 0.315
Cu 0.667 0.333 0.685
S 0.000 0.000 0.087
S 0.000 0.000 0.913
S 0.667 0.333 0.343
S 0.333 0.667 0.657 |
Below is a description of a material. | The chemical formula is: Ga3W.
The XRD pattern shows main peaks at: 17.1°(0.46), 19.1°(0.28), 24.6°(0.17), 33.3°(0.65), 38.2°(1.0), 38.8°(0.58), 41.4°(0.42), 43.5°(0.52), 46.0°(0.3), 48.1°(0.21), 49.5°(0.36), 54.9°(0.17), 63.2°(0.11), 66.6°(0.12), 67.6°(0.11), 68.1°(0.13), 73.6°(0.15), 79.4°(0.14), 79.9°(0.17), 81.6°(0... | JVASP-122723 | 4.87 4.87 5.20
84 95 146
Ga 0.250 0.750 0.375
Ga -0.018 0.018 0.105
Ga 0.518 0.482 0.646
W 0.250 0.750 0.875 |
Below is a description of a material. | The chemical formula is: In2Te3.
The XRD pattern shows main peaks at: 28.3°(1.0), 39.3°(0.33), 41.6°(0.37), 51.1°(0.17), 58.5°(0.1), 64.6°(0.07), 67.9°(0.16), 74.3°(0.09), 75.9°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-92280 | 4.34 4.34 9.97
77 77 60
In 0.401 0.401 0.797
In 0.599 0.599 0.203
Te 0.787 0.787 0.640
Te 0.213 0.213 0.360
Te 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: CaCoO2.
The XRD pattern shows main peaks at: 10.4°(0.21), 12.9°(0.61), 20.9°(0.24), 22.8°(0.26), 30.9°(0.44), 31.5°(0.33), 33.0°(0.37), 34.8°(0.35), 36.0°(0.31), 38.2°(1.0), 40.8°(0.23), 41.8°(0.33), 42.5°(0.41), 42.8°(0.28), 44.5°(0.14), 48.6°(0.3), 53.1°(0.38), 56.7°(0.34), 61.5°(0.3), 62.2°(... | JVASP-9455 | 3.25 6.93 8.62
81 90 90
Ca 0.742 0.755 0.965
Ca 0.242 0.217 0.055
Ca 0.742 0.886 0.349
Ca 0.242 0.085 0.671
Co 0.742 0.418 0.760
Co 0.242 0.653 0.651
Co 0.742 0.319 0.370
Co 0.242 0.554 0.260
O 0.742 0.435 0.152
O 0.742 0.314 0.578
O 0.242 0.658 0.442
O 0.242 0.537 0.868
O 0.742 0.139 0.885
O 0.742 0.842 0.666
O 0.242 ... |
Below is a description of a material. | The chemical formula is: TaIr2.
The XRD pattern shows main peaks at: 39.1°(1.0), 39.5°(1.0), 45.3°(0.68), 46.4°(0.31), 65.4°(0.12), 66.9°(0.41), 79.1°(0.25), 79.9°(0.25), 81.1°(0.14), 83.9°(0.12), 85.0°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-185562 | 2.81 4.91 3.91
66 89 106
Ta 0.954 0.090 0.878
Ir 0.287 0.756 0.545
Ir 0.621 0.424 0.211 |
Below is a description of a material. | The chemical formula is: Ti8C5.
The XRD pattern shows main peaks at: 18.3°(0.06), 35.7°(1.0), 59.8°(0.34), 71.7°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-137532 | 19.43 19.43 19.43
9 9 9
Ti 0.313 0.313 0.313
Ti 0.561 0.561 0.561
Ti 0.062 0.062 0.062
Ti 0.812 0.812 0.812
Ti 0.938 0.938 0.938
Ti 0.188 0.188 0.188
Ti 0.687 0.687 0.687
Ti 0.439 0.439 0.439
C 0.623 0.623 0.623
C 0.875 0.875 0.875
C 0.377 0.377 0.377
C 0.125 0.125 0.125
C 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: CeSiO4.
The XRD pattern shows main peaks at: 19.0°(0.57), 25.4°(1.0), 31.9°(0.06), 33.7°(0.61), 36.2°(0.17), 41.2°(0.23), 45.1°(0.15), 50.4°(0.53), 52.2°(0.15), 58.9°(0.12), 63.6°(0.17), 65.0°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-10691 | 5.87 5.87 5.87
106 106 115
Ce 0.125 0.875 0.250
Ce 0.875 0.125 0.750
Si 0.625 0.375 0.250
Si 0.375 0.625 0.750
O 0.794 0.364 0.070
O 0.724 0.794 0.930
O 0.364 0.794 0.570
O 0.794 0.724 0.430
O 0.276 0.206 0.070
O 0.206 0.636 0.930
O 0.206 0.276 0.570
O 0.636 0.206 0.430 |
Below is a description of a material. | The chemical formula is: PrAlCu4.
The XRD pattern shows main peaks at: 29.6°(0.7), 33.7°(0.26), 39.2°(0.54), 40.7°(1.0), 45.3°(0.28), 57.8°(0.25), 61.3°(0.28), 65.1°(0.26), 70.9°(0.18), 80.5°(0.13), 88.3°(0.21).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-99653 | 5.31 5.31 4.01
90 90 120
Pr 0.000 0.000 0.000
Al 0.333 0.667 0.000
Cu 0.667 0.333 0.000
Cu 0.501 0.002 0.500
Cu 0.998 0.499 0.500
Cu 0.501 0.499 0.500 |
Below is a description of a material. | The chemical formula is: RbMnBr3.
The XRD pattern shows main peaks at: 16.6°(0.11), 23.6°(0.13), 29.0°(1.0), 33.6°(0.97), 41.5°(0.05), 48.3°(0.7), 57.3°(0.41), 60.1°(0.22), 70.7°(0.11), 78.2°(0.17), 80.6°(0.31).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-138313 | 5.33 5.33 5.33
90 90 90
Rb 0.000 0.000 0.000
Mn 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: Sr2CuTe2F2.
The XRD pattern shows main peaks at: 9.6°(0.05), 23.2°(0.11), 28.8°(1.0), 30.0°(0.3), 35.9°(0.27), 43.0°(0.34), 44.9°(0.2), 50.1°(0.23), 52.5°(0.38), 62.4°(0.1), 63.9°(0.14), 70.1°(0.08), 70.8°(0.06), 74.2°(0.06), 84.0°(0.1), 85.9°(0.1).
Generate atomic structure description with la... | JVASP-155573 | 4.21 4.21 9.20
90 90 90
Sr 0.500 0.000 0.351
Sr 0.000 0.500 0.649
Cu 0.000 0.000 0.000
Te 0.000 0.500 0.163
Te 0.500 0.000 0.837
F 0.000 0.000 0.500
F 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: CaZnRh2.
The XRD pattern shows main peaks at: 27.9°(0.12), 39.9°(1.0), 57.7°(0.16), 72.4°(0.33), 86.0°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-186152 | 4.52 4.52 4.52
60 60 60
Ca 0.500 0.500 0.500
Zn 0.000 0.000 0.000
Rh 0.250 0.250 0.250
Rh 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: ErTlTe2.
The XRD pattern shows main peaks at: 24.5°(0.05), 27.6°(1.0), 37.8°(0.38), 41.0°(0.34), 44.5°(0.06), 50.2°(0.19), 57.0°(0.12), 62.2°(0.14), 66.7°(0.15), 72.6°(0.11), 74.8°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-36153 | 4.40 4.40 8.52
75 75 60
Er 0.000 0.000 0.000
Tl 0.500 0.500 0.500
Te 0.737 0.737 0.788
Te 0.263 0.263 0.212 |
Below is a description of a material. | The chemical formula is: KPt3.
The XRD pattern shows main peaks at: 21.4°(0.18), 30.4°(0.16), 37.5°(1.0), 43.5°(0.5), 49.0°(0.09), 54.0°(0.07), 63.3°(0.32), 75.9°(0.41), 79.9°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-128074 | 4.16 4.16 4.16
90 90 90
K 0.000 0.000 0.000
Pt 0.000 0.500 0.500
Pt 0.500 0.000 0.500
Pt 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: TbK2I6.
The XRD pattern shows main peaks at: 13.2°(0.14), 15.3°(0.63), 25.5°(0.21), 26.6°(0.91), 30.9°(1.0), 34.6°(0.23), 44.2°(0.78), 52.4°(0.39), 54.9°(0.26), 64.3°(0.12), 73.0°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-155298 | 8.20 8.20 8.20
120 120 90
Tb 0.000 0.000 0.000
K 0.750 0.250 0.500
K 0.250 0.750 0.500
I 0.742 0.258 0.000
I 0.258 0.258 0.000
I 0.258 0.742 0.000
I 0.742 0.742 0.000
I 0.742 0.742 0.483
I 0.258 0.258 0.517 |
Below is a description of a material. | The chemical formula is: BaZr2Pd.
The XRD pattern shows main peaks at: 32.2°(0.29), 33.7°(1.0), 42.2°(0.26), 54.1°(0.25), 58.4°(0.2), 61.3°(0.08), 70.9°(0.11), 71.8°(0.21), 82.8°(0.07), 89.7°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-69261 | 6.33 6.33 6.33
140 140 57
Ba 0.250 0.750 0.500
Zr 0.000 0.000 0.000
Zr 0.500 0.500 0.000
Pd 0.750 0.250 0.500 |
Below is a description of a material. | The chemical formula is: BaSiTe.
The XRD pattern shows main peaks at: 19.7°(0.5), 21.5°(1.0), 29.1°(0.84), 30.2°(0.24), 36.5°(0.8), 36.9°(0.25), 37.4°(0.24), 43.1°(0.31), 43.7°(0.14), 48.4°(0.22), 53.4°(0.4), 54.1°(0.09), 57.7°(0.12), 58.5°(0.13), 62.3°(0.2), 66.2°(0.14), 67.3°(0.09), 75.1°(0.11), 75.6°(0.1), 78.7°(0.0... | JVASP-117628 | 6.40 6.40 4.14
90 90 44
Ba -0.206 0.125 0.000
Si 0.490 -0.178 0.000
Te 0.087 0.419 0.000 |
Below is a description of a material. | The chemical formula is: LiFeGe2O6.
The XRD pattern shows main peaks at: 19.1°(0.13), 20.7°(0.29), 21.1°(0.57), 27.3°(0.3), 30.6°(0.88), 31.5°(0.55), 32.6°(0.1), 35.4°(1.0), 36.5°(0.5), 42.1°(0.14), 43.1°(0.3), 51.6°(0.12), 58.7°(0.1), 59.2°(0.22), 61.8°(0.16), 63.2°(0.3), 64.4°(0.11), 65.2°(0.37), 66.0°(0.12), 69.9°(0... | JVASP-112414 | 6.39 6.39 5.15
82 82 84
Li 0.269 0.731 0.250
Li 0.731 0.269 0.750
Fe 0.912 0.088 0.250
Fe 0.088 0.912 0.750
Ge 0.399 0.204 0.294
Ge 0.796 0.601 0.206
Ge 0.601 0.796 0.706
Ge 0.204 0.399 0.794
O 0.643 0.121 0.125
O 0.565 0.707 0.400
O 0.357 0.879 0.875
O 0.121 0.643 0.625
O 0.190 0.027 0.384
O 0.707 0.565 0.900
O 0.810 ... |
Below is a description of a material. | The chemical formula is: LiMn2Fe3O8.
The XRD pattern shows main peaks at: 18.9°(0.77), 21.9°(0.14), 31.1°(0.14), 36.6°(1.0), 38.3°(0.18), 44.5°(0.39), 48.8°(0.06), 58.9°(0.3), 64.9°(0.47), 76.8°(0.08), 77.8°(0.06), 82.1°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom typ... | JVASP-46469 | 5.76 5.75 5.75
60 59 59
Li 0.125 0.125 0.125
Mn 0.498 0.499 0.006
Mn 0.498 0.006 0.499
Fe 0.008 0.498 0.498
Fe 0.497 0.498 0.498
Fe 0.873 0.877 0.877
O 0.715 0.260 0.260
O 0.265 0.260 0.260
O 0.262 0.715 0.260
O 0.262 0.260 0.715
O 0.738 0.737 0.287
O 0.738 0.287 0.737
O 0.738 0.740 0.740
O 0.282 0.740 0.740 |
Below is a description of a material. | The chemical formula is: CaPd5.
The XRD pattern shows main peaks at: 19.3°(0.67), 33.7°(0.13), 39.1°(0.26), 39.4°(1.0), 40.4°(0.37), 44.2°(0.8), 45.2°(0.15), 52.5°(0.1), 57.5°(0.16), 64.1°(0.24), 68.3°(0.09), 70.8°(0.22), 72.9°(0.15), 76.2°(0.17), 84.9°(0.24), 87.4°(0.15).
Generate atomic structure description with lat... | JVASP-4765 | 5.32 5.32 4.46
90 90 120
Ca 0.000 0.000 0.000
Pd 0.333 0.667 0.000
Pd 0.667 0.333 0.000
Pd 0.000 0.500 0.500
Pd 0.500 0.500 0.500
Pd 0.500 0.000 0.500 |
Below is a description of a material. | The chemical formula is: ZnTcRh2.
The XRD pattern shows main peaks at: 40.9°(1.0), 46.3°(0.34), 50.1°(0.14), 67.6°(0.11), 70.6°(0.19), 82.1°(0.24), 88.7°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-190732 | 2.77 2.77 7.28
90 90 90
Zn 0.500 0.500 0.750
Rh -0.000 -0.000 0.001
Rh -0.000 -0.000 0.499
Tc 0.500 0.500 0.250 |
Below is a description of a material. | The chemical formula is: LiAl2FeO6.
The XRD pattern shows main peaks at: 18.3°(1.0), 20.9°(0.05), 23.9°(0.08), 37.4°(0.16), 43.7°(0.18), 45.1°(0.36), 56.8°(0.06), 59.0°(0.09), 62.9°(0.09), 66.4°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-46500 | 4.90 4.90 5.19
79 100 59
Li 0.500 0.500 0.500
Al 0.331 0.331 0.000
Al 0.669 0.669 -0.000
Fe 0.000 0.000 0.000
O 0.081 0.595 0.201
O 0.257 0.743 0.801
O 0.595 0.081 0.799
O 0.405 0.919 0.201
O 0.743 0.257 0.199
O 0.919 0.405 0.799 |
Below is a description of a material. | The chemical formula is: SbMo6S8.
The XRD pattern shows main peaks at: 13.5°(1.0), 19.2°(0.89), 23.6°(0.41), 30.6°(0.53), 33.6°(0.6), 41.5°(0.95), 43.8°(0.74), 46.1°(0.78), 48.3°(0.12), 50.3°(0.17), 52.3°(0.15), 60.1°(0.22), 63.7°(0.18), 70.5°(0.2).
Generate atomic structure description with lattice lengths, angles, co... | JVASP-111619 | 6.54 6.54 6.54
90 90 90
Sb 0.000 0.000 0.000
Mo 0.775 0.583 0.440
Mo 0.440 0.775 0.583
Mo 0.583 0.440 0.775
Mo 0.225 0.417 0.560
Mo 0.560 0.225 0.417
Mo 0.417 0.560 0.225
S 0.762 0.762 0.762
S 0.238 0.238 0.238
S 0.256 0.627 0.873
S 0.873 0.256 0.627
S 0.627 0.873 0.256
S 0.744 0.373 0.127
S 0.127 0.744 0.373
S 0.373 0... |
Below is a description of a material. | The chemical formula is: SmTlCd.
The XRD pattern shows main peaks at: 23.9°(0.11), 24.7°(0.09), 32.3°(1.0), 35.9°(0.86), 44.0°(0.13), 49.0°(0.33), 50.6°(0.11), 62.2°(0.32), 63.5°(0.31), 64.5°(0.15), 76.0°(0.1), 85.0°(0.14), 86.2°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-35075 | 5.01 5.01 7.22
90 90 120
Sm 0.000 0.000 0.500
Sm 0.000 0.000 0.000
Tl 0.333 0.667 0.750
Tl 0.667 0.333 0.250
Cd 0.333 0.667 0.250
Cd 0.667 0.333 0.750 |
Below is a description of a material. | The chemical formula is: NaSr2OsO6.
The XRD pattern shows main peaks at: 18.9°(0.51), 31.2°(1.0), 36.7°(0.26), 44.7°(0.32), 55.5°(0.39), 65.0°(0.21).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-108900 | 5.74 5.74 5.74
60 60 60
Na 0.500 0.500 0.500
Sr 0.250 0.250 0.250
Sr 0.750 0.750 0.750
Os 0.000 0.000 0.000
O 0.767 0.233 0.233
O 0.233 0.767 0.767
O 0.233 0.767 0.233
O 0.767 0.233 0.767
O 0.233 0.233 0.767
O 0.767 0.767 0.233 |
Below is a description of a material. | The chemical formula is: Ca2Nb3CuClO10.
The XRD pattern shows main peaks at: 5.6°(0.26), 22.6°(0.91), 28.3°(0.32), 32.1°(1.0), 39.6°(0.05), 43.3°(0.06), 46.0°(0.35), 51.9°(0.24), 54.9°(0.08), 57.3°(0.18), 67.2°(0.09), 71.8°(0.06), 76.4°(0.12).
Generate atomic structure description with lattice lengths, angles, coordina... | JVASP-159074 | 3.94 3.94 15.74
90 90 90
Ca 0.500 0.500 0.144
Ca 0.500 0.500 0.856
Nb 0.000 0.000 0.000
Nb 0.000 0.000 0.270
Nb 0.000 0.000 0.730
Cu 0.000 0.000 0.500
Cl 0.500 0.500 0.500
O 0.500 0.000 0.759
O 0.000 0.500 0.759
O 0.500 0.000 0.241
O 0.000 0.500 0.241
O 0.500 0.000 0.000
O 0.000 0.000 0.125
O 0.000 0.000 0.384
O 0.000 ... |
Below is a description of a material. | The chemical formula is: CuSnF6.
The XRD pattern shows main peaks at: 21.2°(0.08), 23.9°(1.0), 32.6°(0.37), 35.5°(0.17), 40.5°(0.15), 43.3°(0.16), 49.0°(0.16), 53.3°(0.32), 56.3°(0.08), 57.2°(0.16), 61.9°(0.13), 63.7°(0.12), 68.4°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates an... | JVASP-91840 | 5.53 5.53 5.53
54 54 54
Cu 0.500 0.500 0.500
Sn 0.000 0.000 0.000
F 0.250 0.898 0.604
F 0.898 0.604 0.250
F 0.396 0.750 0.102
F 0.102 0.396 0.750
F 0.750 0.102 0.396
F 0.604 0.250 0.898 |
Below is a description of a material. | The chemical formula is: Sn7Os3.
The XRD pattern shows main peaks at: 18.6°(0.11), 22.9°(0.29), 32.6°(0.32), 35.2°(0.23), 40.2°(1.0), 46.7°(0.17), 58.1°(0.17), 73.0°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-57698 | 8.25 8.25 8.25
109 109 109
Sn 0.500 0.250 0.750
Sn 0.678 0.678 0.678
Sn 0.678 0.000 0.000
Sn -0.000 -0.000 0.678
Sn -0.000 0.678 -0.000
Sn 0.000 0.322 0.000
Sn 0.322 -0.000 -0.000
Sn 0.000 0.000 0.322
Sn 0.500 0.750 0.250
Sn 0.750 0.500 0.250
Sn 0.250 0.500 0.750
Sn 0.750 0.250 0.500
Sn 0.250 0.750 0.500
Sn 0.322 0.322... |
Below is a description of a material. | The chemical formula is: AlV2O4.
The XRD pattern shows main peaks at: 18.6°(0.35), 30.5°(0.11), 36.0°(1.0), 37.6°(0.07), 43.7°(0.48), 47.9°(0.08), 57.9°(0.3), 63.6°(0.57), 75.3°(0.1), 80.4°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-153076 | 5.85 5.85 5.85
60 60 60
Al 0.000 0.000 0.000
Al 0.750 0.750 0.750
V 0.375 0.875 0.375
V 0.375 0.375 0.375
V 0.875 0.375 0.375
V 0.375 0.375 0.875
O 0.626 0.123 0.626
O 0.626 0.626 0.626
O 0.123 0.626 0.626
O 0.626 0.626 0.123
O 0.124 0.124 0.124
O 0.124 0.627 0.124
O 0.627 0.124 0.124
O 0.124 0.124 0.627 |
Below is a description of a material. | The chemical formula is: ScHPdRh2.
The XRD pattern shows main peaks at: 22.2°(0.09), 31.7°(0.07), 39.0°(1.0), 45.3°(0.36), 66.2°(0.23), 79.4°(0.24), 83.9°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-189241 | 4.00 4.00 3.98
90 90 90
Sc 0.500 0.500 0.500
H 0.000 -0.000 -0.000
Rh 0.000 0.500 0.000
Rh 0.500 -0.000 -0.000
Pd 0.000 -0.000 0.500 |
Below is a description of a material. | The chemical formula is: Li5Nb2Fe3O10.
The XRD pattern shows main peaks at: 12.5°(0.33), 18.0°(1.0), 18.7°(0.07), 22.3°(0.25), 26.5°(0.13), 29.4°(0.14), 35.0°(0.18), 35.4°(0.2), 36.4°(0.23), 37.1°(0.19), 38.1°(0.06), 42.6°(0.82), 46.1°(0.07), 46.9°(0.05), 61.0°(0.11), 61.9°(0.27), 63.0°(0.1), 77.3°(0.09).
Generate atom... | JVASP-44628 | 5.22 5.22 7.82
70 71 79
Li 0.503 0.772 0.406
Li 0.525 0.575 0.788
Li -0.000 0.500 0.500
Li 0.475 0.425 0.212
Li 0.497 0.228 0.594
Nb 0.010 0.889 0.712
Nb 0.990 0.111 0.288
Fe 0.997 0.300 0.919
Fe 0.003 0.700 0.081
Fe 0.500 0.000 -0.000
O 0.264 0.354 0.057
O 0.259 0.966 0.842
O 0.736 0.646 0.943
O 0.777 0.860 0.545
O 0.... |
Below is a description of a material. | The chemical formula is: Li3Cu2O4.
The XRD pattern shows main peaks at: 18.4°(1.0), 20.2°(0.25), 28.1°(0.87), 29.6°(0.8), 34.7°(0.2), 37.5°(0.11), 38.5°(0.19), 41.0°(0.2), 42.2°(0.16), 44.7°(0.77), 51.3°(0.14), 56.4°(0.09), 57.7°(0.3), 60.1°(0.13), 61.5°(0.15), 63.9°(0.15), 67.1°(0.09), 70.4°(0.12), 74.2°(0.08), 75.0°(... | JVASP-106786 | 5.18 5.18 7.19
63 63 31
Li 0.352 0.352 0.879
Li 0.631 0.631 0.134
Li 0.991 0.991 0.507
Cu 0.834 0.834 0.274
Cu 0.148 0.148 0.739
O 0.429 0.429 0.350
O 0.553 0.553 0.664
O 0.247 0.247 0.186
O 0.736 0.736 0.827 |
Below is a description of a material. | The chemical formula is: Li2BF5.
The XRD pattern shows main peaks at: 18.6°(0.13), 28.5°(1.0), 34.5°(0.19), 37.8°(0.68), 41.8°(0.32), 45.2°(0.84), 49.6°(0.21), 57.0°(0.13), 58.6°(0.18), 59.1°(0.15), 72.8°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-146008 | 6.99 6.99 6.99
136 136 63
Li 0.375 0.125 0.750
Li 0.875 0.625 0.250
Li 0.375 0.625 0.750
Li 0.375 0.625 0.250
B 0.000 0.000 0.000
B 0.750 0.250 0.500
F 0.250 0.750 0.500
F 0.500 0.500 0.000
F 0.067 0.844 0.776
F 0.594 0.317 0.276
F 0.041 0.317 0.724
F 0.067 0.291 0.224
F 0.683 0.406 0.724
F 0.156 0.933 0.224
F 0.709 0.... |
Below is a description of a material. | The chemical formula is: Rb2Hf2O5.
The XRD pattern shows main peaks at: 9.8°(0.08), 19.7°(0.13), 21.9°(0.17), 29.6°(1.0), 31.2°(0.42), 37.2°(0.06), 40.0°(0.13), 44.7°(0.25), 51.6°(0.15), 54.5°(0.37), 55.8°(0.06), 60.7°(0.06), 61.5°(0.14), 65.0°(0.08), 73.1°(0.07), 73.9°(0.08), 79.2°(0.06), 87.5°(0.07).
Generate atomic ... | JVASP-90536 | 9.01 4.06 4.06
90 90 90
Rb 0.000 0.000 0.000
Rb 0.500 0.000 0.000
Hf 0.279 0.500 0.500
Hf 0.721 0.500 0.500
O 0.235 0.500 0.000
O 0.765 0.500 0.000
O 0.500 0.500 0.500
O 0.235 0.000 0.500
O 0.765 0.000 0.500 |
Below is a description of a material. | The chemical formula is: PrPt.
The XRD pattern shows main peaks at: 16.1°(0.1), 24.0°(0.1), 31.0°(1.0), 32.5°(0.32), 33.4°(0.08), 38.2°(0.21), 38.9°(0.84), 39.4°(0.31), 46.0°(0.21), 52.0°(0.17), 57.5°(0.13), 61.3°(0.12), 62.1°(0.17), 63.7°(0.11), 66.2°(0.11), 71.0°(0.14), 71.9°(0.14), 77.5°(0.12), 80.4°(0.11), 89.4°(0.... | JVASP-16791 | 3.94 4.58 5.85
90 109 90
Pr 0.137 0.750 0.273
Pr 0.863 0.250 0.727
Pt 0.410 0.750 0.820
Pt 0.590 0.250 0.180 |
Below is a description of a material. | The chemical formula is: YbSn7.
The XRD pattern shows main peaks at: 22.7°(1.0), 37.5°(0.79), 44.2°(0.48), 54.0°(0.14), 59.3°(0.21), 67.6°(0.3), 72.3°(0.17), 79.9°(0.09), 84.4°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-122626 | 6.79 6.79 6.79
90 90 90
Yb 0.000 0.000 0.500
Sn 0.260 0.260 0.760
Sn 0.000 0.500 0.000
Sn 0.260 0.740 0.240
Sn 0.500 0.000 0.000
Sn 0.740 0.260 0.240
Sn 0.500 0.500 0.500
Sn 0.740 0.740 0.760 |
Below is a description of a material. | The chemical formula is: YbSi2Ni.
The XRD pattern shows main peaks at: 21.0°(0.45), 22.8°(0.21), 25.3°(0.34), 31.3°(0.21), 32.5°(0.73), 34.6°(0.73), 35.9°(1.0), 39.5°(0.4), 41.9°(0.16), 45.1°(0.29), 46.9°(0.29), 49.0°(0.19), 50.3°(0.1), 53.8°(0.24), 59.6°(0.36), 61.5°(0.22), 67.1°(0.18), 68.8°(0.13), 74.1°(0.19), 77.3°... | JVASP-150297 | 8.71 8.71 3.87
90 90 153
Yb 0.110 0.890 0.250
Yb 0.890 0.110 0.750
Si 0.460 0.540 0.250
Si 0.540 0.460 0.750
Si 0.751 0.249 0.250
Si 0.249 0.751 0.750
Ni 0.325 0.675 0.250
Ni 0.675 0.325 0.750 |
Below is a description of a material. | The chemical formula is: AlPO4.
The XRD pattern shows main peaks at: 12.6°(0.86), 19.7°(0.56), 20.2°(1.0), 22.0°(0.23), 23.2°(0.32), 24.9°(0.14), 25.3°(0.11), 26.0°(0.08), 31.7°(0.14), 33.0°(0.21), 33.5°(0.57), 34.6°(0.2), 35.5°(0.29), 37.1°(0.13), 37.8°(0.08), 38.4°(0.09), 39.3°(0.12), 43.7°(0.23), 45.0°(0.08), 64.7°(... | JVASP-97406 | 4.79 5.35 7.05
91 86 122
Al 0.403 0.929 0.167
Al -0.127 0.420 0.500
P 0.844 0.471 0.936
P 0.581 0.556 0.172
O 0.782 0.178 0.014
O 0.305 0.533 0.516
O 0.310 0.221 0.208
O 0.444 -0.173 0.584
O 0.732 0.439 0.731
O -0.092 0.644 0.306
O 0.206 0.729 0.949
O 0.613 0.049 0.409 |
Below is a description of a material. | The chemical formula is: PrMgSn.
The XRD pattern shows main peaks at: 10.9°(0.22), 21.9°(0.47), 25.7°(0.08), 27.9°(1.0), 30.0°(0.34), 33.1°(0.24), 34.0°(0.33), 35.7°(0.91), 39.8°(0.56), 43.8°(0.25), 45.9°(0.28), 52.7°(0.25), 53.3°(0.18), 54.8°(0.17), 57.6°(0.2), 62.4°(0.06), 65.2°(0.19), 68.1°(0.06), 69.7°(0.3), 85.9°(... | JVASP-93731 | 4.53 4.53 8.73
105 105 90
Pr 0.665 0.665 0.329
Pr 0.335 0.335 0.671
Mg 0.500 0.000 0.000
Mg 0.000 0.500 0.000
Sn 0.867 0.867 0.734
Sn 0.133 0.133 0.266 |
Below is a description of a material. | The chemical formula is: NpN2.
The XRD pattern shows main peaks at: 25.8°(0.94), 31.5°(1.0), 36.7°(0.3), 49.1°(0.69), 52.4°(0.08), 52.9°(0.14), 59.3°(0.19), 59.8°(0.19), 62.9°(0.2), 65.7°(0.13), 75.1°(0.18), 77.7°(0.1), 83.5°(0.14), 85.7°(0.07), 86.7°(0.14), 89.6°(0.07).
Generate atomic structure description with latti... | JVASP-41168 | 4.89 4.89 3.49
90 90 90
Np 0.000 0.000 0.000
Np 0.500 0.500 0.500
N 0.317 0.317 0.000
N 0.683 0.683 0.000
N 0.183 0.817 0.500
N 0.817 0.183 0.500 |
Below is a description of a material. | The chemical formula is: BeCrW.
The XRD pattern shows main peaks at: 15.9°(0.99), 32.1°(0.34), 35.8°(0.79), 42.7°(1.0), 49.1°(0.14), 50.1°(0.31), 52.9°(0.19), 54.4°(0.14), 60.7°(0.22), 69.4°(0.2), 72.7°(0.17), 73.5°(0.1), 75.8°(0.07), 82.5°(0.1), 84.5°(0.14), 87.5°(0.09), 88.9°(0.24).
Generate atomic structure descript... | JVASP-67648 | 5.86 5.86 5.86
154 154 36
Be 0.994 0.994 0.000
Cr 0.351 0.351 -0.000
W 0.655 0.655 0.000 |
Below is a description of a material. | The chemical formula is: Si.
The XRD pattern shows main peaks at: 28.1°(1.0), 46.8°(0.68), 55.5°(0.41), 68.3°(0.11), 75.4°(0.17), 86.9°(0.23).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-24792 | 3.88 3.88 3.88
60 59 60
Si 0.875 0.875 0.875
Si 0.125 0.125 0.125 |
Below is a description of a material. | The chemical formula is: AsSCl.
The XRD pattern shows main peaks at: 21.2°(0.32), 29.9°(0.64), 37.2°(1.0), 48.5°(0.93), 53.5°(0.07), 62.2°(0.07), 67.1°(0.19), 74.8°(0.23), 75.2°(0.24), 79.4°(0.1), 87.1°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-137144 | 4.83 4.83 2.99
90 90 120
As 0.000 0.000 0.000
S 0.667 0.333 0.000
Cl 0.333 0.667 0.000 |
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