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: CrSe2.
The XRD pattern shows main peaks at: 15.5°(0.15), 31.3°(0.1), 33.3°(1.0), 43.4°(0.37), 52.0°(0.3), 57.1°(0.2), 62.0°(0.09), 63.2°(0.16), 70.0°(0.09), 80.8°(0.08), 86.2°(0.14), 88.1°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-539 | 3.52 3.52 5.71
89 90 119
Cr 0.000 0.000 0.000
Se 0.333 0.667 0.253
Se 0.667 0.333 0.747 |
Below is a description of a material. | The chemical formula is: Ce2Ga3Cu.
The XRD pattern shows main peaks at: 23.4°(0.13), 33.1°(1.0), 41.1°(0.51), 47.2°(0.08), 53.8°(0.23), 64.3°(0.19), 69.8°(0.2), 74.9°(0.08), 89.2°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-170709 | 4.39 4.39 7.71
89 90 120
Ce 0.000 0.000 0.735
Ce 0.000 0.000 0.264
Ga 0.333 0.667 0.493
Ga 0.333 0.667 0.033
Ga 0.667 0.333 0.962
Cu 0.667 0.333 0.513 |
Below is a description of a material. | The chemical formula is: HfAl3.
The XRD pattern shows main peaks at: 20.6°(0.38), 22.8°(0.66), 27.1°(0.3), 31.6°(0.27), 34.3°(0.31), 38.0°(1.0), 41.9°(0.18), 45.3°(0.28), 50.2°(0.15), 53.0°(0.11), 53.4°(0.12), 63.4°(0.21), 65.9°(0.1), 78.7°(0.24).
Generate atomic structure description with lattice lengths, angles, coor... | JVASP-86146 | 4.01 4.01 9.07
102 102 90
Hf 0.119 0.119 0.239
Hf 0.881 0.881 0.761
Al 0.376 0.376 0.751
Al -0.000 0.500 0.000
Al 0.624 0.624 0.249
Al 0.250 0.750 0.500
Al 0.750 0.250 0.500
Al 0.500 0.000 0.000 |
Below is a description of a material. | The chemical formula is: HfMg6Al.
The XRD pattern shows main peaks at: 16.1°(1.0), 18.1°(0.24), 24.3°(0.74), 28.1°(0.24), 32.6°(0.35), 33.6°(0.31), 36.6°(0.27), 37.5°(0.96), 40.2°(0.22), 46.8°(0.13), 47.5°(0.2), 49.8°(0.23), 58.0°(0.13), 66.5°(0.19), 70.6°(0.14), 71.3°(0.12).
Generate atomic structure description with ... | JVASP-94748 | 6.36 6.36 4.91
90 90 120
Hf 0.324 0.176 0.750
Mg 0.170 0.836 0.250
Mg 0.664 0.330 0.250
Mg 0.670 0.830 0.250
Mg 0.328 0.668 0.750
Mg 0.832 0.172 0.750
Mg 0.833 0.667 0.750
Al 0.179 0.321 0.250 |
Below is a description of a material. | The chemical formula is: Ta2Ni.
The XRD pattern shows main peaks at: 37.2°(1.0), 42.5°(0.14), 46.1°(0.24), 47.5°(0.15), 60.6°(0.05), 63.4°(0.06), 64.7°(0.14), 66.8°(0.18), 72.1°(0.09), 75.8°(0.14), 86.6°(0.13), 88.6°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-20219 | 4.86 5.03 5.03
76 61 61
Ta 0.158 0.500 0.183
Ta 0.342 0.817 0.500
Ta 0.658 0.183 0.500
Ta 0.842 0.500 0.817
Ni 0.250 0.000 0.000
Ni 0.750 0.000 -0.000 |
Below is a description of a material. | The chemical formula is: PbBrCl2.
The XRD pattern shows main peaks at: 15.8°(0.43), 20.0°(0.27), 25.6°(0.69), 28.5°(1.0), 32.7°(0.34), 37.9°(0.96), 40.7°(0.4), 43.9°(0.16), 48.7°(0.29), 56.8°(0.57), 57.3°(0.1), 58.9°(0.13), 65.2°(0.12), 66.7°(0.2), 69.0°(0.16), 72.2°(0.14), 73.9°(0.12), 79.8°(0.11), 81.0°(0.09), 86.3°(... | JVASP-115681 | 4.44 4.44 5.62
90 90 90
Pb 0.500 0.500 0.398
Br 0.000 0.000 0.127
Cl 0.000 0.000 0.619
Cl 0.500 0.500 0.866 |
Below is a description of a material. | The chemical formula is: MgUPb2O6.
The XRD pattern shows main peaks at: 18.6°(0.22), 30.5°(1.0), 36.0°(0.11), 43.7°(0.25), 54.3°(0.34), 63.6°(0.08), 72.1°(0.12), 88.4°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-144122 | 5.86 5.86 10.15
54 90 90
Mg 0.000 0.500 -0.000
Mg 0.500 0.500 0.500
U 0.000 -0.000 0.500
U 0.500 0.000 0.000
Pb 0.978 0.246 0.747
Pb 0.522 0.246 0.247
Pb 0.022 0.754 0.253
Pb 0.478 0.754 0.753
O 0.718 0.175 0.540
O 0.782 0.175 0.040
O 0.214 0.250 0.536
O 0.286 0.250 0.036
O 0.786 0.750 0.464
O 0.988 0.320 0.252
O 0.012... |
Below is a description of a material. | The chemical formula is: PmSe.
The XRD pattern shows main peaks at: 26.0°(0.18), 30.1°(1.0), 43.2°(0.73), 53.5°(0.27), 62.7°(0.13), 71.1°(0.37), 79.1°(0.27).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-111115 | 4.19 4.19 4.19
59 59 60
Pm 0.000 0.000 0.000
Se 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: NaVGe2O6.
The XRD pattern shows main peaks at: 18.2°(0.18), 19.7°(0.22), 20.0°(0.21), 26.2°(0.32), 29.5°(1.0), 30.1°(0.18), 34.0°(0.46), 34.6°(0.76), 39.4°(0.1), 44.3°(0.13), 54.0°(0.13), 54.8°(0.14), 55.4°(0.21), 57.7°(0.09), 59.3°(0.11), 59.8°(0.15), 63.3°(0.2), 64.2°(0.11), 65.8°(0.13), 68.5... | JVASP-57342 | 5.46 6.71 6.71
82 78 78
Na 0.750 0.809 0.191
Na 0.250 0.191 0.809
V 0.250 0.590 0.410
V 0.750 0.410 0.590
Ge 0.724 0.309 0.113
Ge 0.224 0.113 0.309
Ge 0.276 0.691 0.887
Ge 0.776 0.887 0.691
O 0.372 0.522 0.691
O 0.168 0.594 0.137
O 0.668 0.137 0.594
O 0.332 0.863 0.406
O -0.024 0.107 0.171
O 0.524 0.829 0.893
O 0.476 0... |
Below is a description of a material. | The chemical formula is: Ba4NaSn.
The XRD pattern shows main peaks at: 14.9°(0.37), 24.5°(0.11), 28.8°(1.0), 30.1°(0.62), 34.9°(0.16), 38.1°(0.09), 43.1°(0.05), 45.8°(0.37), 50.2°(0.32), 52.6°(0.08), 58.9°(0.12), 59.6°(0.27), 70.3°(0.24), 73.7°(0.05), 80.9°(0.07), 81.6°(0.05).
Generate atomic structure description with... | JVASP-64771 | 7.28 7.28 7.28
60 60 60
Ba 0.119 0.627 0.627
Ba 0.627 0.627 0.627
Ba 0.627 0.119 0.627
Ba 0.627 0.627 0.119
Na 0.250 0.250 0.250
Sn 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Na4MnO4.
The XRD pattern shows main peaks at: 17.5°(1.0), 21.6°(0.33), 22.5°(0.45), 25.4°(0.23), 26.3°(0.17), 29.6°(0.16), 32.6°(0.35), 34.2°(0.59), 36.9°(0.76), 37.3°(0.5), 41.1°(0.21), 41.8°(0.49), 44.2°(0.08), 46.0°(0.13), 47.2°(0.25), 52.7°(0.11), 53.5°(0.2), 55.1°(0.1), 57.0°(0.23), 61.4°(... | JVASP-43585 | 6.77 4.87 10.31
90 131 90
Na 0.278 0.778 0.316
Na 0.956 0.255 0.269
Na 0.491 0.356 0.686
Na 0.714 0.742 0.994
Na 0.278 0.222 0.816
Na 0.491 0.644 0.186
Na 0.956 0.745 0.769
Na 0.714 0.258 0.494
Mn 0.024 0.805 0.514
Mn 0.024 0.195 0.014
O 0.729 0.247 0.976
O 0.086 0.159 0.529
O 0.281 0.701 0.740
O 0.918 0.732 0.298
O 0.... |
Below is a description of a material. | The chemical formula is: BaAs2Pd2.
The XRD pattern shows main peaks at: 15.3°(0.15), 25.4°(0.37), 30.8°(0.1), 32.7°(1.0), 37.1°(0.51), 41.0°(0.56), 42.6°(0.24), 48.9°(0.12), 52.2°(0.09), 56.0°(0.29), 56.5°(0.29), 59.4°(0.19), 64.2°(0.08), 69.5°(0.23), 72.2°(0.07), 75.9°(0.08), 79.1°(0.17), 86.1°(0.17), 86.6°(0.09), 89.... | JVASP-16034 | 4.40 4.40 5.80
90 90 90
Ba 0.000 0.000 0.000
As 0.500 0.500 0.736
As 0.500 0.500 0.264
Pd 0.500 0.000 0.500
Pd 0.000 0.500 0.500 |
Below is a description of a material. | The chemical formula is: LiI2.
The XRD pattern shows main peaks at: 17.9°(0.69), 19.9°(0.85), 26.9°(0.51), 31.2°(0.8), 36.2°(0.12), 37.3°(1.0), 40.4°(0.12), 41.6°(0.14), 44.5°(0.13), 48.5°(0.1), 52.0°(0.34), 53.0°(0.14), 55.5°(0.16), 59.6°(0.25), 65.1°(0.06), 68.8°(0.15), 70.9°(0.14), 71.5°(0.14), 79.5°(0.11), 88.4°(0.... | JVASP-115191 | 5.73 5.73 4.46
90 90 120
Li 0.000 0.000 0.000
I 0.333 0.667 0.000
I 0.667 0.333 0.000 |
Below is a description of a material. | The chemical formula is: BiIO.
The XRD pattern shows main peaks at: 9.5°(0.29), 29.4°(1.0), 31.4°(0.46), 36.6°(0.09), 38.8°(0.08), 45.0°(0.27), 50.7°(0.18), 54.7°(0.36), 59.4°(0.1), 60.9°(0.09), 65.6°(0.11), 73.4°(0.08), 74.5°(0.08), 87.3°(0.08).
Generate atomic structure description with lattice lengths, angles, coord... | JVASP-138243 | 4.03 4.03 9.29
90 90 90
Bi 0.500 0.000 0.867
Bi 0.000 0.500 0.133
I 0.000 0.500 0.667
I 0.500 0.000 0.333
O 0.500 0.500 0.000
O 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Tm2CoRu.
The XRD pattern shows main peaks at: 27.0°(0.13), 38.5°(1.0), 55.6°(0.17), 62.8°(0.06), 69.6°(0.32), 82.5°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-41465 | 4.68 4.68 4.68
60 60 60
Tm 0.500 0.500 0.500
Tm 0.000 0.000 0.000
Co 0.250 0.250 0.250
Ru 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: K2MgF4.
The XRD pattern shows main peaks at: 13.4°(0.29), 27.1°(0.07), 30.3°(0.77), 31.9°(0.98), 34.7°(0.36), 41.1°(0.55), 42.3°(0.9), 45.7°(1.0), 52.9°(0.25), 55.8°(0.08), 63.1°(0.48), 66.6°(0.26), 81.3°(0.2).
Generate atomic structure description with lattice lengths, angles, coordinates and ... | JVASP-31013 | 3.97 3.97 7.16
106 106 90
K 0.648 0.648 0.297
K 0.352 0.352 0.703
Mg 0.000 0.000 0.000
F -0.000 0.500 -0.000
F 0.500 -0.000 0.000
F 0.847 0.847 0.694
F 0.153 0.153 0.306 |
Below is a description of a material. | The chemical formula is: YBiO3.
The XRD pattern shows main peaks at: 13.5°(0.28), 27.1°(0.49), 27.7°(1.0), 30.2°(0.68), 33.9°(0.41), 43.9°(0.32), 47.5°(0.42), 49.6°(0.08), 55.6°(0.38), 57.3°(0.12), 59.6°(0.09), 66.7°(0.1), 76.3°(0.13), 77.5°(0.09), 79.6°(0.08), 85.9°(0.11).
Generate atomic structure description with la... | JVASP-11570 | 3.83 3.83 13.15
90 90 119
Y 0.000 0.000 0.500
Y 0.000 0.000 0.000
Bi 0.667 0.333 0.750
Bi 0.333 0.667 0.250
O 0.333 0.667 0.429
O 0.667 0.333 0.929
O 0.667 0.333 0.571
O 0.333 0.667 0.071
O 0.000 0.000 0.250
O 0.000 0.000 0.750 |
Below is a description of a material. | The chemical formula is: AsSe3.
The XRD pattern shows main peaks at: 16.6°(0.33), 26.8°(0.15), 28.5°(0.2), 29.3°(0.7), 30.2°(1.0), 34.0°(0.68), 35.2°(0.31), 38.5°(0.25), 38.9°(0.17), 42.9°(0.28), 46.3°(0.42), 47.8°(0.08), 49.1°(0.23), 51.4°(0.25), 54.4°(0.12), 56.1°(0.1), 60.4°(0.18), 61.2°(0.13), 62.8°(0.1), 65.1°(0.0... | JVASP-137201 | 4.85 6.34 3.94
84 89 57
As 0.430 0.595 0.126
Se 0.951 0.997 0.077
Se 0.688 0.750 0.589
Se 0.217 0.387 0.652 |
Below is a description of a material. | The chemical formula is: HSeO.
The XRD pattern shows main peaks at: 13.7°(1.0), 18.6°(0.33), 19.4°(0.41), 23.2°(0.59), 27.0°(0.36), 27.5°(0.11), 30.9°(0.23), 33.5°(0.13), 36.3°(0.3), 39.3°(0.07), 40.4°(0.12), 42.8°(0.1), 43.9°(0.11), 46.2°(0.07), 48.4°(0.15), 49.6°(0.11), 50.8°(0.07), 54.6°(0.11), 59.5°(0.08), 62.2°(0.... | JVASP-118490 | 6.48 6.48 4.76
90 90 90
H -0.009 -0.019 0.000
Se -0.019 0.243 0.000
O 0.155 -0.029 0.000 |
Below is a description of a material. | The chemical formula is: KAuF6.
The XRD pattern shows main peaks at: 18.2°(1.0), 23.4°(0.89), 28.0°(0.53), 29.8°(0.39), 36.9°(0.19), 41.2°(0.14), 44.2°(0.61), 47.9°(0.16), 51.7°(0.17), 52.2°(0.06), 56.5°(0.17), 62.0°(0.06), 63.4°(0.2), 65.0°(0.12).
Generate atomic structure description with lattice lengths, angles, coo... | JVASP-63504 | 5.01 5.01 5.01
98 98 98
K 0.500 0.500 0.500
Au 0.000 0.000 0.000
F 0.279 0.927 0.279
F 0.279 0.279 0.927
F 0.927 0.279 0.279
F 0.721 0.721 0.073
F 0.721 0.073 0.721
F 0.073 0.721 0.721 |
Below is a description of a material. | The chemical formula is: LiTiV2O6.
The XRD pattern shows main peaks at: 19.0°(1.0), 35.8°(0.3), 36.5°(0.14), 37.8°(0.05), 43.8°(0.44), 44.9°(0.22), 48.7°(0.06), 58.4°(0.07), 63.1°(0.07), 63.9°(0.14), 65.1°(0.07), 80.7°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types... | JVASP-104543 | 2.95 6.37 5.81
101 90 103
Li 0.670 0.340 0.836
Ti 0.351 0.703 0.632
V 0.990 0.980 0.036
V 0.660 0.319 0.334
O 0.500 0.000 0.796
O 0.827 0.655 0.415
O 0.152 0.305 0.097
O 0.839 0.677 0.870
O 0.179 0.358 0.569
O 0.497 -0.006 0.253 |
Below is a description of a material. | The chemical formula is: LiFeP.
The XRD pattern shows main peaks at: 15.2°(1.0), 28.4°(0.07), 35.1°(0.11), 41.6°(0.41), 48.8°(0.09), 49.7°(0.09), 51.4°(0.07), 52.5°(0.24), 66.5°(0.05), 72.2°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-93884 | 3.67 3.73 6.12
90 107 90
Li 0.086 0.750 0.171
Li 0.914 0.250 0.829
Fe 0.751 0.750 0.501
Fe 0.249 0.250 0.499
P 0.355 0.750 0.710
P 0.645 0.250 0.290 |
Below is a description of a material. | The chemical formula is: PaGa.
The XRD pattern shows main peaks at: 21.1°(0.25), 27.8°(0.26), 35.1°(1.0), 39.7°(0.39), 42.9°(0.16), 45.4°(0.14), 51.9°(0.1), 57.4°(0.13), 59.9°(0.24), 61.9°(0.06), 69.1°(0.29), 73.6°(0.13), 74.3°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and a... | JVASP-156742 | 3.21 4.54 4.21
90 90 45
Pa 0.000 0.500 0.500
Ga 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: YbLi2In.
The XRD pattern shows main peaks at: 25.5°(1.0), 36.4°(0.94), 45.0°(0.31), 52.5°(0.17), 59.3°(0.37), 65.6°(0.34), 77.4°(0.07), 83.1°(0.19), 88.7°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-99796 | 4.93 4.93 4.93
60 60 59
Yb 0.000 0.000 0.000
Li 0.250 0.250 0.250
Li 0.750 0.750 0.750
In 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: SiH3I.
The XRD pattern shows main peaks at: 17.3°(0.41), 20.3°(0.98), 21.3°(0.6), 22.8°(0.97), 23.7°(1.0), 27.6°(0.75), 29.5°(0.5), 31.3°(0.59), 32.0°(0.5), 36.7°(0.53), 38.3°(0.28), 42.4°(0.46), 42.8°(0.23), 43.4°(0.1), 44.2°(0.31), 45.9°(0.17), 47.1°(0.11), 48.3°(0.49), 50.0°(0.14), 53.0°(0.2... | JVASP-58885 | 4.51 8.34 10.49
90 102 90
Si 0.559 0.929 0.291
Si 0.441 0.429 0.209
Si 0.441 0.071 0.709
Si 0.559 0.571 0.791
H 0.779 0.014 0.227
H 0.221 0.514 0.273
H 0.221 0.986 0.773
H 0.779 0.486 0.727
H 0.412 0.462 0.871
H 0.588 0.962 0.629
H 0.588 0.538 0.129
H 0.412 0.038 0.371
H 0.334 0.668 0.697
H 0.666 0.168 0.803
H 0.666 0.... |
Below is a description of a material. | The chemical formula is: Mg6VCr.
The XRD pattern shows main peaks at: 16.5°(0.11), 18.0°(0.08), 24.5°(0.06), 33.3°(0.27), 36.4°(0.3), 38.1°(1.0), 50.2°(0.18), 59.7°(0.13), 66.7°(0.19), 72.0°(0.14), 72.9°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-94067 | 6.20 6.22 4.93
90 90 120
Mg 0.662 0.331 0.250
Mg 0.662 0.832 0.250
Mg 0.326 0.165 0.750
Mg 0.326 0.662 0.750
Mg 0.846 0.173 0.750
Mg 0.845 0.673 0.750
V 0.164 0.332 0.250
Cr 0.167 0.833 0.250 |
Below is a description of a material. | The chemical formula is: Be2CrPt.
The XRD pattern shows main peaks at: 22.5°(0.82), 31.5°(0.52), 32.0°(1.0), 39.0°(0.39), 45.5°(0.91), 45.9°(0.45), 51.7°(0.2), 56.7°(0.38), 61.8°(0.24), 65.7°(0.07), 66.9°(0.13), 70.4°(0.08), 75.0°(0.17), 75.9°(0.16), 80.3°(0.06), 83.9°(0.15), 84.7°(0.31), 88.2°(0.09).
Generate atomic s... | JVASP-71022 | 3.95 3.95 2.84
90 90 90
Be 0.000 0.500 0.000
Be 0.500 0.000 0.000
Cr 0.000 0.000 0.500
Pt 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: RbHfO.
The XRD pattern shows main peaks at: 22.3°(1.0), 29.2°(0.72), 37.1°(0.5), 39.1°(0.97), 45.5°(0.16), 49.6°(0.91), 55.0°(0.18), 60.6°(0.09), 65.4°(0.11), 69.5°(0.19), 70.9°(0.16), 74.5°(0.29), 78.4°(0.23), 84.1°(0.1).
Generate atomic structure description with lattice lengths, angles, coor... | JVASP-136789 | 4.61 4.61 3.06
90 90 120
Rb 0.667 0.333 0.000
Hf 0.000 0.000 0.000
O 0.333 0.667 0.000 |
Below is a description of a material. | The chemical formula is: NaYIn2.
The XRD pattern shows main peaks at: 20.7°(0.09), 24.0°(0.13), 34.0°(1.0), 48.6°(0.08), 49.2°(0.15), 60.9°(0.16), 71.5°(0.05), 82.0°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-81985 | 12.82 9.05 5.26
30 35 19
Na 0.000 0.000 0.000
Y 0.500 0.000 0.000
In 0.751 -0.001 0.001
In 0.249 0.001 -0.001 |
Below is a description of a material. | The chemical formula is: Na3Sb.
The XRD pattern shows main peaks at: 15.8°(1.0), 25.7°(0.44), 27.5°(0.28), 30.3°(0.42), 31.8°(0.71), 38.0°(0.22), 41.3°(0.69), 42.6°(0.16), 50.4°(0.2), 52.8°(0.06), 55.4°(0.05), 56.7°(0.13), 63.0°(0.19), 63.3°(0.19), 65.7°(0.09), 66.5°(0.05), 72.6°(0.13), 81.2°(0.09).
Generate atomic str... | JVASP-135578 | 6.49 6.49 3.47
90 90 120
Na 0.500 0.000 0.000
Na 1.000 0.500 0.000
Na 0.500 0.500 0.000
Sb 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Co5SnO12.
The XRD pattern shows main peaks at: 10.3°(0.05), 20.8°(1.0), 36.4°(0.38), 38.4°(0.39), 43.6°(0.1), 45.8°(0.34), 50.8°(0.27), 62.7°(0.17), 64.1°(0.2), 68.2°(0.19), 69.5°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-133706 | 5.03 5.03 8.72
84 84 119
Co 0.833 0.167 0.500
Co 0.333 0.667 0.000
Co 0.667 0.333 0.000
Co 0.167 0.833 0.500
Co 0.500 0.500 0.500
Sn 0.000 0.000 1.000
O 0.962 0.598 0.115
O 0.674 0.674 0.885
O 0.402 0.038 0.885
O 0.201 0.534 0.397
O 0.869 0.869 0.394
O 0.799 0.466 0.603
O 0.466 0.799 0.603
O 0.325 0.325 0.115
O 0.598 0... |
Below is a description of a material. | The chemical formula is: UAl8Cr4.
The XRD pattern shows main peaks at: 14.1°(0.82), 20.3°(0.75), 28.6°(0.92), 31.8°(0.39), 35.1°(0.55), 35.8°(0.07), 38.6°(0.08), 40.7°(1.0), 41.3°(0.85), 43.1°(0.12), 48.6°(0.26), 52.4°(0.11), 57.2°(0.05), 58.6°(0.12), 59.2°(0.32), 66.4°(0.14), 74.2°(0.2), 75.8°(0.06), 87.7°(0.06), 89.7... | JVASP-57798 | 5.02 6.78 6.78
82 68 68
U 0.000 0.000 0.000
Al 0.341 0.659 0.659
Al 0.000 0.341 0.659
Al -0.000 0.659 0.341
Al 0.659 0.341 0.341
Al 0.282 0.218 0.218
Al 0.500 0.782 0.218
Al 0.500 0.218 0.782
Al 0.718 0.782 0.782
Cr 0.500 0.000 0.500
Cr 0.000 0.500 -0.000
Cr 0.500 0.500 -0.000
Cr -0.000 0.000 0.500 |
Below is a description of a material. | The chemical formula is: K4NaCl5.
The XRD pattern shows main peaks at: 29.0°(1.0), 41.4°(0.38), 60.0°(0.1), 68.0°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-102737 | 15.60 15.60 15.60
163 163 22
K 0.402 0.402 0.000
K 0.802 0.802 -0.000
K 0.198 0.198 0.000
K 0.598 0.598 -0.000
Na 0.000 0.000 0.000
Cl 0.094 0.094 -0.000
Cl 0.500 0.500 -0.000
Cl 0.906 0.906 0.000
Cl 0.300 0.300 -0.000
Cl 0.700 0.700 0.000 |
Below is a description of a material. | The chemical formula is: PrMnCoGe2.
The XRD pattern shows main peaks at: 31.0°(0.28), 33.7°(1.0), 35.5°(0.92), 44.5°(0.62), 48.6°(0.32), 56.9°(0.47), 61.8°(0.21), 64.7°(0.2), 68.0°(0.22), 71.5°(0.07), 88.2°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-99940 | 6.01 6.01 6.01
140 140 57
Pr 0.000 0.000 0.000
Mn 0.250 0.750 0.500
Co 0.750 0.250 0.500
Ge 0.629 0.629 -0.000
Ge 0.371 0.371 0.000 |
Below is a description of a material. | The chemical formula is: NiI2.
The XRD pattern shows main peaks at: 13.5°(0.21), 27.3°(0.17), 27.7°(0.51), 32.0°(1.0), 41.7°(0.07), 45.6°(0.35), 46.1°(0.35), 54.4°(0.14), 56.3°(0.06), 57.2°(0.18), 66.9°(0.1), 75.7°(0.12), 76.4°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and a... | JVASP-12083 | 6.92 6.92 6.92
33 33 33
Ni 0.000 0.000 0.000
I 0.256 0.256 0.256
I 0.744 0.744 0.744 |
Below is a description of a material. | The chemical formula is: Mg4Si3.
The XRD pattern shows main peaks at: 20.0°(0.14), 21.3°(0.15), 29.3°(0.27), 31.0°(0.69), 32.1°(0.84), 33.0°(0.27), 33.9°(0.43), 34.6°(0.67), 35.5°(0.21), 36.8°(0.91), 38.1°(0.29), 38.6°(0.22), 39.3°(0.57), 41.5°(1.0), 44.3°(0.5), 45.4°(0.3), 46.1°(0.16), 47.5°(0.18), 49.4°(0.16), 58.0°(... | JVASP-112388 | 5.82 8.73 6.38
115 104 87
Mg 0.296 0.735 0.574
Mg 0.117 0.167 0.874
Mg 0.305 0.690 0.044
Mg 0.353 0.397 0.567
Mg 0.841 0.530 0.546
Mg 0.621 0.110 -0.000
Mg 0.808 0.487 0.039
Mg 0.788 0.851 0.422
Si -0.031 0.187 0.416
Si 0.681 0.187 0.629
Si 0.703 0.758 0.928
Si 0.407 0.441 0.184
Si 0.311 0.004 0.469
Si 0.049 0.955 0.05... |
Below is a description of a material. | The chemical formula is: LaSi2Ni2.
The XRD pattern shows main peaks at: 23.4°(0.42), 35.2°(0.55), 35.8°(1.0), 37.1°(0.14), 43.8°(0.42), 52.0°(0.13), 57.4°(0.25), 58.6°(0.15), 63.6°(0.15), 66.0°(0.2), 75.2°(0.23).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-15651 | 4.14 4.14 5.67
111 111 89
La 0.000 0.000 0.000
Si 0.633 0.633 0.267
Si 0.367 0.367 0.733
Ni 0.750 0.250 0.500
Ni 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: KCrS2.
The XRD pattern shows main peaks at: 12.6°(0.31), 25.4°(0.08), 29.5°(0.06), 33.0°(1.0), 41.4°(0.12), 44.8°(0.24), 49.9°(0.31), 52.1°(0.1), 56.1°(0.05), 61.2°(0.14), 69.1°(0.08), 82.8°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-1462 | 7.34 7.34 7.34
28 28 28
K 0.500 0.500 0.500
Cr 0.000 0.000 0.000
S 0.726 0.726 0.726
S 0.274 0.274 0.274 |
Below is a description of a material. | The chemical formula is: Ba4MgMo.
The XRD pattern shows main peaks at: 15.7°(0.43), 25.7°(0.1), 30.2°(1.0), 31.6°(0.71), 36.7°(0.2), 40.1°(0.13), 48.2°(0.35), 52.8°(0.35), 55.5°(0.1), 62.1°(0.14), 62.9°(0.3), 68.3°(0.05), 74.3°(0.23), 78.0°(0.06), 85.9°(0.07), 86.6°(0.06).
Generate atomic structure description with lat... | JVASP-63928 | 6.93 6.93 6.93
60 60 60
Ba 0.122 0.626 0.626
Ba 0.626 0.626 0.626
Ba 0.626 0.122 0.626
Ba 0.626 0.626 0.122
Mg 0.250 0.250 0.250
Mo 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Pm2CuNi.
The XRD pattern shows main peaks at: 25.5°(0.18), 36.4°(1.0), 44.9°(0.05), 52.4°(0.18), 59.1°(0.08), 65.4°(0.35), 77.2°(0.11), 88.5°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-105230 | 4.94 4.94 4.94
60 60 60
Pm 0.250 0.250 0.250
Pm 0.750 0.750 0.750
Cu 0.500 0.500 0.500
Ni 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: UP2.
The XRD pattern shows main peaks at: 22.9°(0.29), 26.0°(1.0), 33.2°(0.35), 34.7°(0.1), 35.2°(0.1), 40.7°(0.48), 42.2°(0.28), 47.6°(0.2), 48.7°(0.07), 52.9°(0.08), 53.5°(0.13), 55.1°(0.25), 60.2°(0.08), 65.5°(0.16), 69.6°(0.07), 74.4°(0.05), 75.7°(0.06), 79.3°(0.06), 83.9°(0.13).
Generate a... | JVASP-151820 | 8.65 8.65 8.65
143 143 52
U 0.005 0.005 -0.000
U 0.493 0.493 0.000
U 0.280 0.780 0.500
U 0.780 0.280 0.500
P 0.823 0.823 -0.000
P 0.315 0.315 0.000
P 0.460 0.960 0.500
P 0.960 0.460 0.500
P 0.411 0.411 0.542
P 0.868 0.868 0.458
P 0.868 0.411 0.000
P 0.411 0.868 0.000 |
Below is a description of a material. | The chemical formula is: Sr2LaTaO6.
The XRD pattern shows main peaks at: 20.6°(0.18), 29.3°(1.0), 41.9°(0.3), 51.9°(0.44), 60.7°(0.2), 68.8°(0.2), 76.4°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-102603 | 6.10 6.10 6.10
59 60 59
Sr 0.250 0.250 0.250
Sr 0.750 0.750 0.750
La 0.500 0.500 0.500
Ta 0.000 0.000 0.000
O 0.769 0.231 0.231
O 0.231 0.769 0.769
O 0.231 0.769 0.231
O 0.769 0.231 0.769
O 0.231 0.231 0.769
O 0.769 0.769 0.231 |
Below is a description of a material. | The chemical formula is: Pm2MgS4.
The XRD pattern shows main peaks at: 14.7°(0.54), 21.5°(0.36), 25.4°(0.81), 26.1°(0.91), 32.5°(0.43), 34.2°(1.0), 39.3°(0.81), 40.6°(0.49), 41.3°(0.11), 48.7°(0.34).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-144698 | 7.31 7.31 7.31
111 111 106
Pm 0.875 0.753 0.378
Pm 0.503 0.125 0.878
Pm 0.375 0.497 0.622
Pm 0.247 0.625 0.122
Mg 0.000 0.000 0.000
Mg 0.750 0.250 0.500
S 0.506 0.377 0.266
S 0.760 0.494 0.871
S 0.110 0.240 0.734
S 0.623 0.890 0.129
S 0.244 0.010 0.371
S 0.990 0.360 0.234
S 0.640 0.873 0.629
S 0.127 0.756 0.766 |
Below is a description of a material. | The chemical formula is: LiS.
The XRD pattern shows main peaks at: 31.0°(1.0), 35.9°(0.88), 51.7°(0.57), 61.5°(0.33), 64.6°(0.18), 76.2°(0.08), 87.2°(0.26).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-8755 | 3.54 3.54 3.54
60 60 60
Li 0.500 0.500 0.500
S 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: PrTl.
The XRD pattern shows main peaks at: 27.5°(0.29), 32.5°(1.0), 34.6°(0.2), 44.8°(0.15), 48.6°(0.23), 59.7°(0.2), 61.0°(0.25), 80.4°(0.17), 81.4°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-127277 | 3.75 3.75 5.18
90 90 120
Pr 0.333 0.667 0.250
Tl 0.667 0.333 0.750 |
Below is a description of a material. | The chemical formula is: ZnCr2O4.
The XRD pattern shows main peaks at: 33.2°(1.0), 37.2°(0.25), 37.7°(0.18), 41.4°(0.11), 42.1°(0.08), 43.2°(0.48), 46.2°(0.39), 49.5°(0.12), 57.5°(0.2), 58.6°(0.05), 61.1°(0.17), 64.1°(0.15), 65.2°(0.19), 74.1°(0.17).
Generate atomic structure description with lattice lengths, angles, c... | JVASP-9963 | 2.91 4.99 9.82
90 90 106
Zn 0.390 0.780 0.750
Zn 0.610 0.220 0.250
Cr 0.867 0.734 0.071
Cr 0.133 0.266 0.929
Cr 0.867 0.734 0.429
Cr 0.133 0.266 0.571
O 0.232 0.465 0.389
O 0.768 0.535 0.611
O 0.768 0.535 0.889
O 0.232 0.465 0.111
O 0.962 0.924 0.250
O 0.038 0.076 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: TmSi2Pt2.
The XRD pattern shows main peaks at: 18.3°(0.18), 23.0°(0.15), 30.0°(0.05), 35.3°(1.0), 37.1°(0.16), 42.9°(0.34), 48.4°(0.09), 57.9°(0.19), 62.2°(0.11), 65.7°(0.15), 73.6°(0.23), 74.7°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom type... | JVASP-15744 | 4.22 4.22 5.70
111 111 90
Tm 0.000 0.000 0.000
Si 0.619 0.619 0.238
Si 0.381 0.381 0.762
Pt 0.250 0.750 0.500
Pt 0.750 0.250 0.500 |
Below is a description of a material. | The chemical formula is: SbI3Cl8.
The XRD pattern shows main peaks at: 12.7°(0.14), 17.4°(1.0), 18.3°(0.5), 19.4°(0.9), 25.2°(0.28), 27.1°(0.85), 29.5°(0.31), 30.2°(0.23), 31.4°(0.19), 32.8°(0.29), 33.6°(0.33), 35.3°(0.15), 36.6°(0.12), 37.1°(0.23), 38.9°(0.19), 39.3°(0.37), 41.7°(0.15), 43.1°(0.22), 51.2°(0.12), 52.4°... | JVASP-12541 | 7.07 7.03 7.68
87 97 97
Sb 0.000 0.500 0.500
I 0.000 0.000 0.000
I 0.656 0.769 0.823
I 0.344 0.231 0.177
Cl 0.719 0.289 0.569
Cl 0.281 0.711 0.431
Cl 0.497 0.753 0.082
Cl 0.503 0.247 0.918
Cl 0.825 0.785 0.504
Cl 0.175 0.215 0.496
Cl 0.889 0.464 0.195
Cl 0.111 0.536 0.805 |
Below is a description of a material. | The chemical formula is: MgHgPd2.
The XRD pattern shows main peaks at: 24.1°(0.52), 38.3°(1.0), 41.6°(0.13), 42.8°(0.37), 48.0°(0.12), 49.7°(0.16), 62.1°(0.13), 66.2°(0.21), 75.4°(0.27), 82.1°(0.11), 82.9°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-191390 | 4.23 4.83 4.83
51 64 64
Mg 0.250 0.250 0.250
Hg 0.750 0.750 0.750
Pd 0.500 0.500 0.500
Pd -0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: UGa3Ni.
The XRD pattern shows main peaks at: 17.4°(0.08), 23.2°(0.26), 30.5°(0.22), 34.2°(0.56), 35.3°(1.0), 43.7°(0.46), 47.4°(0.05), 50.0°(0.28), 56.6°(0.28), 57.4°(0.13), 63.4°(0.22), 68.5°(0.23), 74.1°(0.06), 74.8°(0.29), 84.8°(0.11).
Generate atomic structure description with lattice lengt... | JVASP-92712 | 4.14 4.14 5.87
110 110 90
U 0.993 0.993 0.987
Ga 0.410 0.410 0.819
Ga 0.746 0.246 0.492
Ga 0.246 0.746 0.492
Ni 0.634 0.634 0.269 |
Below is a description of a material. | The chemical formula is: YbCa2Al.
The XRD pattern shows main peaks at: 19.7°(0.64), 22.8°(0.21), 32.5°(1.0), 38.3°(0.33), 40.0°(0.07), 46.6°(0.18), 51.0°(0.16), 52.4°(0.09), 57.9°(0.41), 61.8°(0.12), 68.0°(0.11), 71.5°(0.11), 72.7°(0.05), 77.3°(0.16).
Generate atomic structure description with lattice lengths, angles, ... | JVASP-161323 | 5.52 5.52 5.52
60 60 60
Yb 0.750 0.750 0.750
Ca 0.500 0.500 0.500
Ca 0.000 0.000 0.000
Al 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: Ca2CdPt2.
The XRD pattern shows main peaks at: 21.0°(0.69), 22.5°(0.41), 32.8°(0.34), 37.0°(0.19), 37.8°(1.0), 40.3°(0.26), 42.8°(0.17), 45.9°(0.2), 47.1°(0.08), 49.0°(0.31), 55.8°(0.11), 56.8°(0.08), 60.3°(0.13), 63.7°(0.06), 67.1°(0.21), 71.7°(0.16), 77.0°(0.06), 79.6°(0.07), 80.7°(0.06), 88.... | JVASP-92685 | 4.47 5.63 5.63
63 66 66
Ca 0.202 0.298 0.298
Ca 0.798 0.702 0.702
Cd 0.000 0.000 0.000
Pt 0.500 0.277 0.723
Pt 0.500 0.723 0.277 |
Below is a description of a material. | The chemical formula is: SrS.
The XRD pattern shows main peaks at: 25.6°(0.4), 29.6°(1.0), 42.4°(0.77), 50.2°(0.05), 52.6°(0.26), 61.5°(0.12), 69.8°(0.32), 77.6°(0.25).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-1276 | 4.26 4.26 4.26
60 60 60
Sr 0.000 0.000 0.000
S 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: BaIr3.
The XRD pattern shows main peaks at: 36.4°(1.0), 42.3°(0.48), 61.3°(0.33), 73.4°(0.35), 77.3°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-129200 | 4.28 4.28 4.28
90 90 90
Ba 0.000 0.000 0.000
Ir 0.000 0.500 0.500
Ir 0.500 0.000 0.500
Ir 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: PbSe2.
The XRD pattern shows main peaks at: 19.3°(0.28), 27.5°(0.3), 30.0°(1.0), 32.9°(0.28), 36.0°(0.36), 39.3°(0.13), 44.1°(0.38), 45.8°(0.16), 46.4°(0.13), 46.8°(0.1), 50.2°(0.1), 54.8°(0.09), 61.9°(0.22), 62.4°(0.07), 64.2°(0.07), 65.5°(0.13), 66.0°(0.24), 69.0°(0.09), 79.1°(0.07), 82.8°(0.... | JVASP-37705 | 6.03 6.03 6.03
114 114 99
Pb 0.250 0.250 0.000
Pb 0.750 0.750 0.000
Se 0.631 0.131 0.763
Se 0.369 0.869 0.237
Se 0.869 0.631 0.500
Se 0.131 0.369 0.500 |
Below is a description of a material. | The chemical formula is: TiOF.
The XRD pattern shows main peaks at: 22.5°(1.0), 31.2°(0.96), 38.8°(0.06), 44.6°(0.91), 45.9°(0.4), 50.5°(0.33), 56.6°(0.31), 65.0°(0.24), 66.0°(0.48), 69.7°(0.13), 73.8°(0.14), 83.2°(0.22), 88.5°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and a... | JVASP-118338 | 2.87 2.87 3.95
90 90 90
Ti 0.500 0.500 0.000
O 0.000 0.000 0.000
F 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Cu3NiH6Cl2O6.
The XRD pattern shows main peaks at: 16.0°(0.98), 19.8°(0.14), 30.1°(0.3), 32.4°(1.0), 40.0°(0.55), 45.0°(0.1), 49.3°(0.22), 52.1°(0.33), 67.8°(0.21).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-56637 | 6.05 6.05 6.05
71 71 71
Cu 0.500 0.500 0.000
Cu 0.500 0.000 0.500
Cu 0.000 0.500 0.500
Ni 0.500 0.500 0.500
H 0.229 0.820 0.229
H 0.820 0.229 0.229
H 0.771 0.180 0.771
H 0.771 0.771 0.180
H 0.180 0.771 0.771
H 0.229 0.229 0.820
Cl 0.821 0.821 0.821
Cl 0.179 0.179 0.179
O 0.728 0.728 0.360
O 0.272 0.272 0.640
O 0.272 0.... |
Below is a description of a material. | The chemical formula is: Ho2Ga8Fe.
The XRD pattern shows main peaks at: 15.9°(0.05), 21.1°(0.23), 31.1°(0.09), 32.1°(0.13), 34.1°(0.56), 38.7°(1.0), 40.4°(0.25), 42.9°(0.55), 44.5°(0.09), 48.3°(0.05), 54.6°(0.06), 60.4°(0.28), 62.4°(0.17), 73.0°(0.12), 75.9°(0.27), 77.0°(0.14).
Generate atomic structure description wit... | JVASP-111604 | 4.21 4.21 11.16
90 90 90
Ho 0.000 0.000 0.695
Ho 0.000 0.000 0.305
Ga 0.500 0.000 0.500
Ga 0.000 0.500 0.500
Ga 0.500 0.500 0.695
Ga 0.500 0.500 0.305
Ga 0.500 0.000 0.884
Ga 0.000 0.500 0.884
Ga 0.500 0.000 0.116
Ga 0.000 0.500 0.116
Fe 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: LaPbAu2.
The XRD pattern shows main peaks at: 34.5°(1.0), 49.6°(0.18), 61.8°(0.36), 72.8°(0.12), 83.1°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-167503 | 5.20 5.20 5.20
60 60 60
La 0.250 0.250 0.250
Pb 0.750 0.750 0.750
Au 0.500 0.500 0.500
Au -0.000 -0.000 0.000 |
Below is a description of a material. | The chemical formula is: NaMnCl.
The XRD pattern shows main peaks at: 13.6°(0.52), 26.7°(0.09), 27.4°(0.06), 28.0°(0.87), 31.3°(0.12), 33.1°(1.0), 39.1°(0.07), 41.6°(0.2), 43.9°(0.85), 50.9°(0.2), 52.6°(0.1), 53.0°(0.11), 57.9°(0.09), 61.0°(0.15), 68.4°(0.19), 69.5°(0.08), 73.8°(0.06), 76.5°(0.1), 77.6°(0.07), 82.3°(0.... | JVASP-134528 | 3.46 6.73 3.18
90 90 104
Na 0.679 0.690 0.000
Mn -0.019 0.295 0.000
Cl 0.341 0.015 0.000 |
Below is a description of a material. | The chemical formula is: OsN.
The XRD pattern shows main peaks at: 13.9°(0.32), 23.1°(0.33), 33.7°(0.78), 37.1°(0.51), 38.0°(0.56), 38.8°(1.0), 39.8°(0.19), 42.7°(0.14), 43.2°(0.36), 46.8°(0.34), 50.5°(0.28), 54.7°(0.46), 59.0°(0.12), 64.2°(0.28), 67.4°(0.14), 77.6°(0.17), 78.1°(0.18), 78.5°(0.15), 85.8°(0.13), 88.3°(0... | JVASP-91807 | 2.78 4.85 6.50
90 102 90
Os 0.463 0.676 0.926
Os 0.537 0.176 0.074
Os 0.155 0.577 0.309
Os 0.845 0.077 0.691
N 0.862 0.504 0.723
N 0.138 0.004 0.277
N 0.771 0.673 0.542
N 0.229 0.173 0.458 |
Below is a description of a material. | The chemical formula is: TaV2.
The XRD pattern shows main peaks at: 21.6°(0.32), 35.7°(0.83), 42.1°(1.0), 44.1°(0.09), 64.1°(0.3), 68.5°(0.3), 75.6°(0.22).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-188600 | 5.03 5.03 5.03
60 60 60
Ta 0.250 0.250 0.250
Ta 0.000 0.000 -0.000
V 0.625 0.625 0.125
V 0.625 0.125 0.625
V 0.125 0.625 0.625
V 0.625 0.625 0.625 |
Below is a description of a material. | The chemical formula is: RbCrS2.
The XRD pattern shows main peaks at: 22.4°(0.46), 28.0°(1.0), 34.3°(0.28), 36.5°(0.68), 43.0°(0.45), 43.3°(0.35), 45.8°(0.1), 50.7°(0.1), 52.6°(0.22), 57.9°(0.14), 60.0°(0.17), 60.7°(0.2), 64.6°(0.14), 70.2°(0.19), 72.3°(0.1), 77.6°(0.06), 88.0°(0.13), 89.0°(0.11).
Generate atomic struc... | JVASP-182949 | 3.48 3.48 7.92
90 90 90
Rb 0.500 0.500 0.590
Cr 0.000 0.000 0.073
S 0.000 0.000 0.346
S 0.500 0.500 0.001 |
Below is a description of a material. | The chemical formula is: Fe3OF5.
The XRD pattern shows main peaks at: 25.7°(0.9), 26.6°(0.85), 34.5°(1.0), 37.4°(0.12), 39.1°(0.19), 39.7°(0.17), 51.3°(0.63), 52.3°(0.5), 52.9°(0.21), 54.9°(0.15), 59.9°(0.17), 61.6°(0.07), 65.6°(0.39), 66.3°(0.11), 66.7°(0.1), 84.0°(0.1).
Generate atomic structure description with latt... | JVASP-117450 | 5.72 5.72 7.37
72 72 74
Fe 0.678 0.678 0.845
Fe 0.334 0.334 0.690
Fe 0.666 0.666 0.310
Fe 0.322 0.322 0.155
Fe 0.000 0.000 0.500
Fe 0.000 0.000 0.000
O 0.223 0.223 0.971
O 0.777 0.777 0.029
F 0.040 0.631 0.658
F 0.369 0.960 0.342
F 0.103 0.103 0.692
F 0.426 0.426 0.370
F 0.631 0.040 0.658
F 0.897 0.897 0.308
F 0.960 0.... |
Below is a description of a material. | The chemical formula is: V2CrW.
The XRD pattern shows main peaks at: 25.7°(0.36), 29.8°(0.2), 42.6°(1.0), 50.4°(0.19), 52.8°(0.06), 61.8°(0.16), 68.1°(0.08), 70.1°(0.08), 78.0°(0.29), 83.7°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-157297 | 4.25 4.25 4.25
60 60 60
V 0.500 0.500 0.500
V 0.000 0.000 0.000
Cr 0.250 0.250 0.250
W 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: MgHg2.
The XRD pattern shows main peaks at: 20.9°(0.26), 24.4°(0.14), 25.6°(0.17), 29.9°(0.08), 30.9°(0.18), 34.4°(0.34), 35.6°(1.0), 36.9°(0.16), 40.9°(0.16), 43.4°(0.08), 51.0°(0.11), 51.3°(0.12), 53.8°(0.12), 62.3°(0.2), 62.9°(0.19), 64.6°(0.07), 67.3°(0.07), 73.7°(0.1), 75.3°(0.08), 85.8°(0... | JVASP-103614 | 7.52 7.52 5.22
90 90 152
Mg 0.602 0.398 0.250
Mg 0.398 0.602 0.750
Hg 0.263 0.737 0.250
Hg 0.939 0.061 0.250
Hg 0.737 0.263 0.750
Hg 0.061 0.939 0.750 |
Below is a description of a material. | The chemical formula is: Zr3S4.
The XRD pattern shows main peaks at: 14.8°(0.35), 17.4°(0.14), 24.2°(0.1), 28.6°(0.15), 30.0°(0.29), 34.5°(1.0), 35.2°(0.44), 38.1°(0.11), 38.9°(0.07), 50.1°(0.64), 59.0°(0.07), 62.1°(0.17), 72.8°(0.09), 83.4°(0.16), 84.6°(0.13).
Generate atomic structure description with lattice lengths... | JVASP-104668 | 6.30 6.30 3.67
90 90 108
Zr 0.500 -0.000 0.500
Zr 0.000 0.500 0.500
Zr 0.000 0.000 0.000
S 0.255 0.255 0.500
S 0.745 0.745 0.500
S 0.738 0.262 0.000
S 0.262 0.738 0.000 |
Below is a description of a material. | The chemical formula is: CoTeSe.
The XRD pattern shows main peaks at: 16.5°(0.16), 28.3°(0.06), 32.9°(1.0), 44.2°(0.34), 50.2°(0.29), 59.2°(0.19), 61.3°(0.18), 69.1°(0.09), 81.2°(0.07), 83.1°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-103107 | 3.64 3.64 5.39
90 90 120
Co 0.000 0.000 0.982
Te 0.667 0.333 0.251
Se 0.333 0.667 0.767 |
Below is a description of a material. | The chemical formula is: TiIn2I6.
The XRD pattern shows main peaks at: 27.5°(0.36), 28.1°(1.0), 30.4°(0.34), 33.6°(0.29), 35.1°(0.18), 45.9°(0.25), 47.1°(0.08), 48.2°(0.05), 50.4°(0.13), 52.6°(0.16), 55.4°(0.09), 58.1°(0.05), 64.5°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates a... | JVASP-155309 | 7.94 7.55 7.94
118 95 118
Ti 0.000 0.000 0.000
In 0.750 0.500 0.250
In 0.250 0.500 0.750
I 0.763 0.000 0.237
I 0.188 0.498 0.188
I 0.310 0.122 0.310
I 0.690 -0.122 0.690
I 0.237 -0.000 0.763
I 0.812 0.502 0.812 |
Below is a description of a material. | The chemical formula is: ZrH4C4O4.
The XRD pattern shows main peaks at: 14.1°(0.72), 15.9°(0.93), 16.4°(1.0), 26.3°(0.25), 26.7°(0.27), 28.0°(0.33), 28.5°(0.37), 29.3°(0.1), 30.2°(0.11), 32.2°(0.44), 32.7°(0.15), 33.1°(0.17), 34.3°(0.22), 36.4°(0.2), 37.3°(0.25), 38.2°(0.16), 39.3°(0.19), 41.3°(0.13), 43.5°(0.25), 49.7... | JVASP-103943 | 3.43 6.20 6.89
113 93 100
Zr 0.124 0.152 0.994
H 0.382 0.650 0.025
H 0.909 0.479 0.389
H 0.662 0.253 0.920
H 0.404 0.659 0.263
C 0.308 0.225 0.517
C 0.782 0.292 0.278
C 0.657 0.855 0.732
C 0.456 0.180 0.338
O 0.159 0.235 0.671
O 0.481 0.740 0.548
O 0.494 0.854 0.908
O 0.288 0.560 0.112 |
Below is a description of a material. | The chemical formula is: UMn2Ge2.
The XRD pattern shows main peaks at: 18.5°(0.11), 23.8°(0.31), 31.1°(0.43), 35.7°(1.0), 36.4°(0.89), 37.5°(0.07), 44.5°(0.53), 52.7°(0.27), 58.3°(0.45), 64.8°(0.18), 66.9°(0.16), 71.4°(0.22), 76.2°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates an... | JVASP-17676 | 4.07 4.07 5.59
111 111 89
U 0.000 0.000 0.000
Mn 0.250 0.750 0.500
Mn 0.750 0.250 0.500
Ge 0.629 0.629 0.258
Ge 0.371 0.371 0.742 |
Below is a description of a material. | The chemical formula is: SrBeCl.
The XRD pattern shows main peaks at: 13.5°(0.86), 24.8°(0.39), 28.3°(1.0), 37.2°(0.63), 41.4°(0.06), 43.6°(0.26), 45.9°(0.24), 48.8°(0.19), 52.9°(0.16), 58.6°(0.16), 61.7°(0.11), 70.9°(0.14), 73.8°(0.1), 75.9°(0.14), 83.9°(0.08).
Generate atomic structure description with lattice length... | JVASP-68424 | 4.15 4.15 6.54
90 90 119
Sr 0.667 0.333 0.356
Be 0.000 0.000 0.040
Cl 0.333 0.667 0.604 |
Below is a description of a material. | The chemical formula is: SrAl2O4.
The XRD pattern shows main peaks at: 20.0°(0.49), 22.3°(0.26), 28.0°(0.55), 28.7°(1.0), 29.6°(0.9), 34.7°(1.0), 35.2°(0.25), 36.9°(0.09), 39.8°(0.16), 40.7°(0.16), 41.4°(0.19), 41.9°(0.14), 42.6°(0.25), 45.6°(0.19), 46.8°(0.41), 48.6°(0.11), 57.8°(0.18), 59.8°(0.12), 61.8°(0.15), 62.9°... | JVASP-145736 | 5.18 5.18 8.50
86 86 58
Sr 0.020 0.006 0.759
Sr 0.994 -0.020 0.241
Al 0.649 0.683 0.448
Al 0.317 0.351 0.552
Al 0.374 0.292 0.944
Al 0.708 0.626 0.056
O 0.456 0.209 0.742
O 0.791 0.544 0.258
O 0.563 0.062 0.425
O 0.306 0.694 0.500
O 0.938 0.437 0.575
O 0.370 -0.024 0.030
O 0.680 0.320 -0.000
O 0.024 0.630 0.970 |
Below is a description of a material. | The chemical formula is: Mg6CuBi.
The XRD pattern shows main peaks at: 15.1°(0.21), 16.1°(0.79), 17.9°(0.19), 23.5°(0.6), 24.2°(0.79), 27.0°(0.3), 28.7°(0.18), 30.6°(0.27), 32.6°(0.55), 35.6°(0.29), 36.3°(0.35), 37.5°(1.0), 39.9°(0.18), 41.2°(0.14), 42.4°(0.16), 45.8°(0.15), 48.2°(0.27), 49.6°(0.12), 57.0°(0.14), 66.0°... | JVASP-94143 | 6.63 6.63 4.95
90 90 124
Mg 0.169 0.816 0.250
Mg 0.684 0.331 0.250
Mg 0.673 0.827 0.250
Mg 0.334 0.642 0.750
Mg 0.858 0.166 0.750
Mg 0.831 0.669 0.750
Cu 0.110 0.390 0.250
Bi 0.340 0.160 0.750 |
Below is a description of a material. | The chemical formula is: HeCo.
The XRD pattern shows main peaks at: 16.3°(1.0), 33.0°(0.22), 44.7°(0.23), 47.9°(0.43), 56.7°(0.21), 69.6°(0.12), 84.8°(0.06), 86.2°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-129158 | 2.34 2.34 5.43
90 90 119
He 0.333 0.667 0.250
Co 0.667 0.333 0.750 |
Below is a description of a material. | The chemical formula is: Bi.
The XRD pattern shows main peaks at: 27.2°(1.0), 38.9°(0.58), 48.1°(0.19), 56.1°(0.14), 63.5°(0.23), 70.4°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-79650 | 4.63 4.64 8.01
125 90 90
Bi 0.750 0.999 0.751
Bi 0.250 0.001 0.249
Bi 0.750 0.503 0.251
Bi 0.250 0.497 0.749 |
Below is a description of a material. | The chemical formula is: Sm4Se3O4.
The XRD pattern shows main peaks at: 13.9°(0.06), 25.4°(0.51), 30.9°(1.0), 31.8°(0.56), 34.9°(0.09), 35.3°(0.27), 40.0°(0.1), 42.6°(0.15), 45.4°(0.07), 45.9°(0.2), 47.7°(0.2), 49.6°(0.09), 53.2°(0.14), 53.8°(0.16), 59.2°(0.13), 60.2°(0.14), 64.4°(0.09), 70.7°(0.05), 75.5°(0.07).
Gener... | JVASP-165281 | 3.95 6.66 8.43
89 90 107
Sm 0.682 0.365 0.238
Sm 0.682 0.365 0.762
Sm 0.017 0.034 0.500
Sm 0.001 0.001 0.000
Se 0.313 0.625 -0.000
Se 0.355 0.711 0.650
Se 0.355 0.711 0.350
O 0.616 0.232 0.500
O 0.086 0.172 0.756
O 0.589 0.177 0.000
O 0.086 0.172 0.244 |
Below is a description of a material. | The chemical formula is: CdNi.
The XRD pattern shows main peaks at: 20.7°(0.1), 35.8°(0.31), 41.7°(1.0), 42.2°(0.19), 56.5°(0.14), 64.3°(0.17), 76.7°(0.14), 79.9°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-127766 | 2.90 2.90 4.29
90 90 120
Cd 0.333 0.667 0.250
Ni 0.667 0.333 0.750 |
Below is a description of a material. | The chemical formula is: Er5BiAu2.
The XRD pattern shows main peaks at: 13.7°(0.09), 31.9°(0.16), 32.5°(1.0), 35.4°(0.64), 41.9°(0.06), 50.9°(0.1), 57.0°(0.07), 65.8°(0.08), 66.3°(0.2), 70.4°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-133230 | 8.60 8.60 8.60
124 124 82
Er 0.500 0.500 -0.000
Er 0.000 0.000 0.000
Er 0.511 0.011 0.804
Er 0.207 0.707 0.196
Er 0.011 0.207 0.500
Er 0.707 0.511 0.500
Er 0.489 0.989 0.196
Er 0.793 0.293 0.804
Er 0.989 0.793 0.500
Er 0.293 0.489 0.500
Bi 0.250 0.250 -0.000
Bi 0.750 0.750 -0.000
Au 0.141 0.641 0.781
Au 0.859 0.359 0.2... |
Below is a description of a material. | The chemical formula is: NaHgSb.
The XRD pattern shows main peaks at: 22.2°(0.95), 36.7°(1.0), 43.3°(0.52), 52.9°(0.16), 58.0°(0.21), 66.1°(0.34), 70.6°(0.15), 78.0°(0.11), 82.3°(0.16), 89.5°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-160877 | 4.90 4.90 4.90
60 60 60
Na 0.250 0.250 0.250
Hg 0.000 0.000 0.000
Sb 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: ThRe2.
The XRD pattern shows main peaks at: 33.1°(0.3), 34.2°(0.73), 37.9°(0.2), 38.3°(1.0), 39.6°(0.72), 43.0°(0.12), 59.8°(0.28), 62.6°(0.23), 63.0°(0.34), 69.5°(0.24), 79.7°(0.13), 82.0°(0.12), 83.0°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and a... | JVASP-20181 | 5.41 5.41 9.50
90 90 120
Th 0.333 0.667 0.939
Th 0.667 0.333 0.439
Th 0.667 0.333 0.061
Th 0.333 0.667 0.561
Re 0.000 0.000 0.000
Re 0.000 0.000 0.500
Re 0.831 0.169 0.750
Re 0.169 0.339 0.250
Re 0.661 0.831 0.250
Re 0.339 0.169 0.750
Re 0.831 0.661 0.750
Re 0.169 0.831 0.250 |
Below is a description of a material. | The chemical formula is: Nb6SnS8.
The XRD pattern shows main peaks at: 10.6°(0.17), 21.2°(0.38), 28.3°(0.42), 32.2°(0.07), 33.9°(0.12), 38.8°(1.0), 41.8°(0.13), 46.0°(0.27), 49.9°(0.23), 53.9°(0.07), 55.1°(0.08), 61.9°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types... | JVASP-141422 | 9.68 9.68 3.40
90 90 120
Nb 0.487 0.375 0.749
Nb 0.625 0.111 0.749
Nb 0.889 0.513 0.749
Nb 0.513 0.625 0.251
Nb 0.375 0.889 0.251
Nb 0.111 0.487 0.251
Sn 0.000 0.000 0.500
S 0.333 0.667 0.751
S 0.667 0.333 0.249
S 0.340 0.056 0.751
S 0.944 0.284 0.751
S 0.716 0.660 0.751
S 0.660 0.944 0.249
S 0.056 0.716 0.249
S 0.284 ... |
Below is a description of a material. | The chemical formula is: YbPd2Au.
The XRD pattern shows main peaks at: 27.2°(0.08), 38.8°(1.0), 56.1°(0.16), 70.3°(0.35), 83.3°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-39764 | 4.64 4.64 4.64
60 60 60
Yb 0.750 0.750 0.750
Pd 0.000 0.000 0.000
Pd 0.500 0.500 0.500
Au 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: Th5Sn3.
The XRD pattern shows main peaks at: 21.4°(0.17), 22.9°(0.11), 26.9°(0.13), 28.4°(0.38), 29.0°(0.26), 31.5°(1.0), 32.3°(0.72), 32.8°(0.91), 46.7°(0.3), 48.1°(0.1), 49.7°(0.21), 50.5°(0.28), 51.9°(0.23), 55.5°(0.12), 62.5°(0.11), 64.6°(0.09), 65.7°(0.19).
Generate atomic structure descri... | JVASP-154061 | 9.60 9.60 6.62
90 90 120
Th 0.667 0.333 0.000
Th 0.333 0.667 0.500
Th 0.333 0.667 0.000
Th 0.667 0.333 0.500
Th 0.000 0.743 0.250
Th 0.257 0.257 0.250
Th 0.743 -0.000 0.250
Th 1.000 0.257 0.750
Th 0.743 0.743 0.750
Th 0.257 0.000 0.750
Sn 0.000 0.385 0.250
Sn 0.615 0.615 0.250
Sn 0.385 0.000 0.250
Sn 1.000 0.615 0.750
... |
Below is a description of a material. | The chemical formula is: K2NaAuBr6.
The XRD pattern shows main peaks at: 14.1°(0.65), 16.3°(0.9), 23.1°(0.05), 27.2°(0.05), 28.4°(0.42), 32.9°(1.0), 37.0°(0.47), 47.3°(0.79), 58.8°(0.25), 69.1°(0.12), 78.7°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-102365 | 7.69 7.69 7.69
60 60 60
K 0.750 0.750 0.750
K 0.250 0.250 0.250
Na 0.500 0.500 0.500
Au 0.000 0.000 0.000
Br 0.757 0.243 0.243
Br 0.243 0.243 0.757
Br 0.243 0.757 0.757
Br 0.243 0.757 0.243
Br 0.757 0.243 0.757
Br 0.757 0.757 0.243 |
Below is a description of a material. | The chemical formula is: H4BrN.
The XRD pattern shows main peaks at: 15.0°(1.0), 30.3°(0.48), 33.5°(0.51), 34.6°(0.9), 39.0°(0.67), 42.0°(0.31), 46.2°(0.07), 49.3°(0.2), 53.5°(0.24), 59.1°(0.2), 61.3°(0.17), 62.7°(0.15), 67.8°(0.26), 70.3°(0.1), 73.1°(0.1), 78.1°(0.1).
Generate atomic structure description with lattice... | JVASP-120019 | 6.17 6.17 6.17
29 29 29
H 0.942 0.942 0.942
H 0.058 0.058 0.058
H 0.666 0.666 0.666
H 0.334 0.334 0.334
Br 0.500 0.500 0.500
N 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: LaNi4B.
The XRD pattern shows main peaks at: 32.6°(0.67), 35.1°(0.24), 37.4°(0.12), 38.5°(0.13), 40.7°(0.72), 42.8°(0.1), 43.8°(1.0), 52.2°(0.11), 57.3°(0.07), 61.3°(0.23), 64.4°(0.13), 68.2°(0.12), 69.0°(0.21), 74.1°(0.21), 81.2°(0.08).
Generate atomic structure description with lattice length... | JVASP-86465 | 5.12 5.12 7.01
90 90 120
La 0.000 0.000 0.500
La 0.000 0.000 0.000
Ni 0.333 0.667 0.000
Ni 0.667 0.333 0.000
Ni 0.500 0.000 0.294
Ni 0.500 0.500 0.294
Ni 0.000 0.500 0.294
Ni 0.500 0.000 0.706
Ni 0.500 0.500 0.706
Ni 0.000 0.500 0.706
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: Yb3Pd4.
The XRD pattern shows main peaks at: 26.5°(0.08), 32.3°(0.1), 33.2°(0.15), 37.4°(1.0), 38.1°(0.81), 54.5°(0.23), 67.5°(0.12), 68.0°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-129655 | 7.59 7.59 7.59
113 113 113
Yb 0.262 0.392 0.003
Yb 0.392 0.003 0.262
Yb 0.003 0.262 0.392
Yb 0.738 0.608 0.997
Yb 0.608 0.997 0.738
Yb 0.997 0.738 0.608
Pd 0.000 0.000 0.000
Pd 0.500 0.500 0.500
Pd 0.557 0.248 0.091
Pd 0.248 0.091 0.557
Pd 0.091 0.557 0.248
Pd 0.443 0.752 0.909
Pd 0.752 0.909 0.443
Pd 0.909 0.443 0.752 |
Below is a description of a material. | The chemical formula is: DyInCo4.
The XRD pattern shows main peaks at: 21.9°(0.11), 36.1°(0.62), 42.6°(1.0), 44.6°(0.18), 65.0°(0.21), 69.4°(0.29), 76.6°(0.21), 87.8°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-35270 | 4.97 4.97 4.97
60 60 60
Dy 0.750 0.750 0.750
In 0.000 0.000 0.000
Co 0.374 0.374 0.374
Co 0.877 0.374 0.374
Co 0.374 0.877 0.374
Co 0.374 0.374 0.877 |
Below is a description of a material. | The chemical formula is: Hf5Ge3.
The XRD pattern shows main peaks at: 25.8°(0.22), 27.6°(0.18), 32.3°(0.11), 34.3°(0.38), 34.9°(0.31), 38.1°(1.0), 39.1°(0.55), 39.6°(0.92), 56.9°(0.27), 58.6°(0.1), 60.8°(0.18), 61.5°(0.38), 63.5°(0.24), 67.6°(0.09), 77.2°(0.09), 81.0°(0.14).
Generate atomic structure description with l... | JVASP-57660 | 7.98 7.98 5.54
90 90 120
Hf 0.667 0.333 0.000
Hf 0.333 0.667 0.500
Hf 0.333 0.667 0.000
Hf 0.667 0.333 0.500
Hf 0.251 0.000 0.750
Hf -0.000 0.749 0.250
Hf 0.251 0.251 0.250
Hf 0.749 0.749 0.750
Hf 0.000 0.251 0.750
Hf 0.749 -0.000 0.250
Ge 0.611 -0.000 0.750
Ge 0.000 0.389 0.250
Ge 0.611 0.611 0.250
Ge 0.389 0.389 0.75... |
Below is a description of a material. | The chemical formula is: Li2FeO3.
The XRD pattern shows main peaks at: 18.9°(1.0), 21.0°(0.19), 21.9°(0.35), 24.5°(0.23), 28.4°(0.16), 33.2°(0.08), 37.3°(0.33), 45.2°(0.7), 49.3°(0.08), 59.6°(0.1), 65.3°(0.17), 66.1°(0.24), 83.6°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-43029 | 4.90 4.90 4.97
99 99 119
Li 0.507 0.008 0.000
Li 0.007 0.508 0.500
Li 0.169 0.347 0.000
Li 0.846 0.669 0.000
Fe 0.341 0.175 0.500
Fe 0.674 0.841 0.500
O 0.727 0.227 0.728
O 0.288 0.788 0.272
O 0.441 0.584 0.724
O 0.932 0.075 0.277
O 0.574 0.432 0.277
O 0.083 0.941 0.724 |
Below is a description of a material. | The chemical formula is: Ce2UO6.
The XRD pattern shows main peaks at: 9.4°(0.11), 28.2°(1.0), 32.8°(0.44), 46.8°(0.33), 47.3°(0.31), 55.7°(0.31), 56.2°(0.13), 58.3°(0.09), 68.7°(0.1), 75.5°(0.12), 76.0°(0.06), 77.9°(0.09), 87.3°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and ... | JVASP-101220 | 3.88 3.88 9.38
90 90 120
Ce 0.333 0.667 0.666
Ce 0.667 0.333 0.334
U 0.000 0.000 0.000
O 0.000 0.000 0.230
O 0.333 0.667 0.930
O 0.667 0.333 0.588
O 0.667 0.333 0.070
O 0.000 0.000 0.770
O 0.333 0.667 0.412 |
Below is a description of a material. | The chemical formula is: Rb2ScTlF6.
The XRD pattern shows main peaks at: 16.6°(0.22), 19.2°(0.1), 27.2°(1.0), 32.0°(0.22), 38.9°(0.35), 48.1°(0.41), 56.1°(0.2), 77.0°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-109899 | 6.55 6.55 6.55
60 60 60
Rb 0.750 0.750 0.750
Rb 0.250 0.250 0.250
Sc 0.000 0.000 0.000
Tl 0.500 0.500 0.500
F 0.782 0.218 0.218
F 0.218 0.218 0.782
F 0.218 0.782 0.782
F 0.218 0.782 0.218
F 0.782 0.218 0.782
F 0.782 0.782 0.218 |
Below is a description of a material. | The chemical formula is: NbCoSn.
The XRD pattern shows main peaks at: 25.8°(0.15), 29.9°(0.42), 42.8°(1.0), 53.1°(0.11), 62.2°(0.17), 70.5°(0.15), 78.5°(0.33).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-78857 | 4.22 4.22 4.22
60 60 60
Nb 0.500 0.500 0.500
Co 0.250 0.250 0.250
Sn 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: HgTe.
The XRD pattern shows main peaks at: 23.3°(0.06), 33.2°(1.0), 47.7°(0.19), 59.4°(0.36), 69.7°(0.11), 79.5°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-17182 | 3.81 3.81 3.81
90 90 90
Hg 0.000 0.000 0.000
Te 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Li9Mn3N4.
The XRD pattern shows main peaks at: 9.1°(0.4), 18.3°(0.1), 19.2°(0.07), 23.8°(0.08), 26.0°(0.05), 27.1°(0.05), 28.1°(1.0), 37.2°(0.29), 48.7°(0.11), 49.6°(0.23), 57.4°(0.13), 58.1°(0.08), 72.3°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-143837 | 5.22 5.22 9.88
81 81 41
Li 0.456 0.456 0.303
Li 0.210 0.210 0.046
Li 0.972 0.972 0.801
Li 0.742 0.742 0.561
Li 0.790 0.790 0.954
Li 0.544 0.544 0.697
Li 0.258 0.258 0.439
Li 0.028 0.028 0.199
Li -0.000 0.000 0.500
Mn 0.751 0.751 0.243
Mn 0.500 0.500 -0.000
Mn 0.249 0.249 0.757
N 0.622 0.622 0.122
N 0.378 0.378 0.878
N ... |
Below is a description of a material. | The chemical formula is: Rb3Y.
The XRD pattern shows main peaks at: 25.1°(1.0), 35.8°(0.19), 44.2°(0.41), 51.5°(0.13), 58.1°(0.17), 70.2°(0.21), 81.4°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-38180 | 7.09 7.09 7.09
60 60 60
Rb 0.000 0.000 0.000
Rb 0.500 0.500 0.500
Rb 0.250 0.250 0.250
Y 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: ErCo2B2.
The XRD pattern shows main peaks at: 27.0°(0.9), 38.9°(0.47), 39.2°(0.27), 41.1°(1.0), 51.7°(0.28), 56.4°(0.14), 59.3°(0.2), 66.7°(0.24), 72.3°(0.18), 76.1°(0.09), 80.0°(0.1), 89.1°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-63350 | 5.23 5.23 5.23
140 140 57
Er 0.000 0.000 0.000
Co 0.250 0.750 0.500
Co 0.750 0.250 0.500
B 0.354 0.354 0.000
B 0.646 0.646 0.000 |
Below is a description of a material. | The chemical formula is: Ba4OsW.
The XRD pattern shows main peaks at: 27.0°(0.35), 31.8°(1.0), 33.3°(0.29), 47.8°(0.15), 50.9°(0.34), 55.7°(0.27), 63.0°(0.07), 65.6°(0.12), 66.5°(0.12), 76.4°(0.08), 78.8°(0.23).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-66308 | 6.60 6.60 6.60
60 60 60
Ba 0.126 0.625 0.625
Ba 0.625 0.625 0.625
Ba 0.625 0.126 0.625
Ba 0.625 0.625 0.126
Os 0.250 0.250 0.250
W 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: La2InNi2.
The XRD pattern shows main peaks at: 26.1°(0.17), 28.4°(0.12), 33.0°(0.69), 35.1°(1.0), 37.2°(0.49), 42.7°(0.08), 47.0°(0.2), 49.2°(0.16), 55.0°(0.18), 56.4°(0.19), 58.7°(0.07), 61.4°(0.22), 67.0°(0.16), 70.4°(0.11), 72.1°(0.05), 78.3°(0.05), 79.5°(0.09).
Generate atomic structure des... | JVASP-176093 | 3.87 7.64 7.64
90 90 90
La 0.500 0.177 0.677
La 0.500 0.823 0.323
La 0.500 0.323 0.177
La 0.500 0.677 0.823
In -0.000 0.500 0.500
In 0.000 -0.000 -0.000
Ni 0.000 0.619 0.119
Ni -0.000 0.381 0.881
Ni -0.000 0.881 0.619
Ni 0.000 0.119 0.381 |
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