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: Be2CoRu.
The XRD pattern shows main peaks at: 16.3°(0.17), 33.3°(1.0), 37.3°(0.11), 47.6°(0.96), 59.4°(0.37), 69.3°(0.07), 70.0°(0.15), 79.1°(0.16), 79.7°(0.21), 88.6°(0.16), 89.1°(0.32).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-73144 | 2.69 2.69 5.42
90 90 90
Be 0.000 0.000 0.778
Be 0.000 0.000 0.222
Co 0.500 0.500 0.000
Ru 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: H4C8SO2.
The XRD pattern shows main peaks at: 13.1°(0.14), 14.2°(1.0), 17.1°(0.17), 21.3°(0.32), 24.5°(0.17), 25.9°(0.9), 26.6°(0.98), 27.1°(0.3), 28.8°(0.13), 29.8°(0.19), 32.4°(0.3), 33.0°(0.25), 34.1°(0.32), 35.5°(0.14), 39.4°(0.12), 41.0°(0.21), 42.6°(0.12), 43.5°(0.11), 53.4°(0.06), 54.8°(... | JVASP-103826 | 3.73 6.49 7.08
76 78 80
H 0.432 0.247 0.761
H 0.598 0.770 0.122
H 0.211 0.884 0.416
H 0.789 0.130 0.465
C 0.341 0.720 0.426
C 0.560 0.657 0.262
C 0.293 0.573 0.607
C 0.718 0.443 0.274
C 0.467 0.361 0.622
C 0.668 0.296 0.455
C 0.913 0.374 0.093
C 0.044 0.643 0.775
S 0.908 0.140 0.047
O 0.802 0.793 0.766
O 0.114 0.527 0.... |
Below is a description of a material. | The chemical formula is: CaAl2Hg2.
The XRD pattern shows main peaks at: 22.2°(1.0), 28.4°(0.16), 29.9°(0.73), 33.2°(0.14), 41.8°(0.8), 42.8°(0.32), 48.7°(0.27), 52.1°(0.12), 53.1°(0.18), 61.4°(0.3), 62.1°(0.11), 70.4°(0.1), 71.2°(0.08), 75.4°(0.09), 77.6°(0.23).
Generate atomic structure description with lattice length... | JVASP-158235 | 4.23 4.23 6.95
107 107 90
Ca 0.000 0.000 0.000
Al 0.750 0.250 0.500
Al 0.250 0.750 0.500
Hg 0.613 0.613 0.225
Hg 0.387 0.387 0.775 |
Below is a description of a material. | The chemical formula is: MnCuO3.
The XRD pattern shows main peaks at: 24.5°(0.38), 33.4°(1.0), 36.4°(0.84), 41.5°(0.13), 50.2°(0.37), 54.6°(0.55), 63.6°(0.33), 65.5°(0.3), 72.1°(0.11), 77.3°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-100480 | 4.94 4.94 5.40
117 62 120
Mn 0.844 0.156 0.467
Mn 0.156 0.844 0.533
Cu 0.640 0.360 0.079
Cu 0.360 0.640 0.921
O 0.948 0.438 0.269
O 0.438 0.221 0.731
O 0.779 0.948 0.731
O 0.221 0.052 0.269
O 0.562 0.779 0.269
O 0.052 0.562 0.731 |
Below is a description of a material. | The chemical formula is: Ba4MnRh.
The XRD pattern shows main peaks at: 16.1°(0.27), 26.5°(0.14), 31.1°(1.0), 32.6°(0.57), 37.8°(0.14), 41.3°(0.08), 46.7°(0.06), 49.7°(0.36), 54.5°(0.35), 57.2°(0.06), 64.1°(0.13), 64.9°(0.24), 76.9°(0.22), 80.7°(0.06), 89.0°(0.07).
Generate atomic structure description with lattice leng... | JVASP-66212 | 6.74 6.74 6.74
60 60 60
Ba 0.124 0.625 0.625
Ba 0.625 0.625 0.625
Ba 0.625 0.124 0.625
Ba 0.625 0.625 0.124
Mn 0.250 0.250 0.250
Rh 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: MgNi2RuC.
The XRD pattern shows main peaks at: 23.2°(0.28), 32.4°(0.13), 40.2°(1.0), 45.4°(0.2), 47.4°(0.32), 51.6°(0.06), 58.6°(0.05), 67.8°(0.22), 69.4°(0.1), 80.3°(0.11), 83.3°(0.22), 86.9°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-190244 | 3.83 3.83 4.00
90 90 90
Ru 0.000 -0.000 0.500
Mg 0.500 0.500 0.500
C 0.000 -0.000 0.000
Ni 0.000 0.500 -0.000
Ni 0.500 -0.000 0.000 |
Below is a description of a material. | The chemical formula is: KAg.
The XRD pattern shows main peaks at: 14.2°(0.12), 15.4°(1.0), 21.0°(0.2), 21.9°(0.4), 26.1°(0.11), 28.6°(0.11), 31.1°(0.18), 32.6°(0.29), 34.3°(0.06), 34.9°(0.25), 36.3°(0.23), 37.8°(0.09), 42.7°(0.13), 44.6°(0.06), 45.7°(0.23), 50.2°(0.08), 53.8°(0.07), 56.3°(0.06), 58.8°(0.09), 65.7°(0.0... | JVASP-114316 | 5.75 5.75 6.24
90 90 90
K 0.000 0.000 0.750
Ag 0.000 0.000 0.250 |
Below is a description of a material. | The chemical formula is: SnO2.
The XRD pattern shows main peaks at: 24.6°(0.22), 27.9°(0.31), 29.9°(0.72), 32.7°(1.0), 33.8°(0.27), 42.3°(0.11), 44.4°(0.26), 45.4°(0.4), 50.4°(0.08), 51.4°(0.18), 53.5°(0.15), 57.8°(0.43), 59.8°(0.26), 60.6°(0.2), 62.9°(0.11), 72.7°(0.13), 77.3°(0.11), 81.2°(0.11), 84.8°(0.09), 88.6°(0.... | JVASP-57282 | 3.56 5.30 7.24
90 90 90
Sn 0.250 0.766 0.585
Sn 0.750 0.234 0.415
Sn 0.750 0.734 0.085
Sn 0.250 0.266 0.915
O 0.750 0.473 0.865
O 0.750 0.618 0.387
O 0.250 0.527 0.135
O 0.250 0.382 0.613
O 0.250 0.027 0.365
O 0.250 0.882 0.887
O 0.750 0.118 0.113
O 0.750 0.973 0.635 |
Below is a description of a material. | The chemical formula is: AgI.
The XRD pattern shows main peaks at: 29.2°(1.0), 41.7°(0.57), 51.7°(0.18), 60.5°(0.09), 68.5°(0.16), 76.2°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-136196 | 4.36 4.34 7.48
73 90 120
Ag 0.039 0.985 0.891
Ag 0.539 -0.015 0.391
I 0.282 0.503 0.142
I 0.795 0.467 0.641 |
Below is a description of a material. | The chemical formula is: GaNO2.
The XRD pattern shows main peaks at: 20.5°(0.51), 27.4°(0.33), 30.7°(0.54), 32.1°(1.0), 32.8°(0.11), 41.6°(0.29), 43.3°(0.43), 44.6°(0.28), 45.0°(0.58), 48.9°(0.11), 55.9°(0.09), 59.9°(0.08), 61.2°(0.17), 63.4°(0.09), 67.0°(0.13), 68.9°(0.08), 73.3°(0.08), 75.6°(0.09), 77.7°(0.09), 86.4°... | JVASP-113624 | 4.63 4.63 4.63
141 90 102
Ga 0.069 0.069 -0.000
N 0.590 0.590 0.000
O 0.636 0.471 0.165
O 0.305 0.471 0.835 |
Below is a description of a material. | The chemical formula is: NaCaLaF6.
The XRD pattern shows main peaks at: 16.8°(1.0), 23.7°(0.11), 29.2°(1.0), 34.1°(0.19), 38.1°(0.36), 41.9°(0.82), 45.6°(0.12), 48.4°(0.14), 51.6°(0.21), 52.0°(0.76), 60.5°(0.13), 68.7°(0.11), 73.9°(0.13), 84.2°(0.13).
Generate atomic structure description with lattice lengths, angles, ... | JVASP-107784 | 3.76 6.08 6.08
120 90 90
Na 0.980 0.000 0.000
Ca 0.743 0.333 0.667
La 0.260 0.667 0.333
F 0.249 0.087 0.384
F 0.249 0.616 0.703
F 0.249 0.297 0.913
F 0.757 0.920 0.612
F 0.757 0.388 0.308
F 0.757 0.692 0.080 |
Below is a description of a material. | The chemical formula is: Be2PCl.
The XRD pattern shows main peaks at: 28.5°(0.92), 29.2°(0.82), 35.7°(0.44), 43.1°(1.0), 46.3°(0.18), 58.6°(0.18), 59.3°(0.08), 60.7°(0.32), 66.4°(0.26), 66.8°(0.12), 70.5°(0.1), 77.7°(0.08), 87.8°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-69663 | 6.65 6.65 6.65
152 152 39
Be 0.000 0.000 0.000
Be 0.250 0.750 0.500
P 0.750 0.250 0.500
Cl 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: Ba2ZnF6.
The XRD pattern shows main peaks at: 27.2°(1.0), 30.3°(0.37), 33.7°(0.13), 37.9°(0.29), 43.4°(0.32), 45.9°(0.2), 52.0°(0.34), 56.1°(0.11), 63.1°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-8137 | 4.17 4.17 8.51
104 104 90
Ba 0.850 0.850 0.700
Ba 0.150 0.150 0.300
Zn 0.500 0.500 -0.000
F 0.622 0.622 0.245
F 0.378 0.378 0.755
F -0.000 0.500 -0.000
F 0.750 0.250 0.500
F 0.250 0.750 0.500
F 0.500 0.000 -0.000 |
Below is a description of a material. | The chemical formula is: TbSi2Cu2.
The XRD pattern shows main peaks at: 23.9°(0.41), 35.0°(0.43), 36.0°(0.17), 36.5°(1.0), 45.3°(0.38), 51.1°(0.18), 58.5°(0.22), 59.1°(0.15), 65.0°(0.16), 66.0°(0.11), 77.8°(0.21).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-15209 | 4.01 4.01 5.74
110 110 90
Tb 0.000 0.000 0.000
Si 0.618 0.618 0.236
Si 0.382 0.382 0.764
Cu 0.250 0.750 0.500
Cu 0.750 0.250 0.500 |
Below is a description of a material. | The chemical formula is: ScZnGa.
The XRD pattern shows main peaks at: 25.0°(0.46), 29.0°(0.08), 41.4°(1.0), 49.0°(0.22), 60.1°(0.15), 66.1°(0.09), 75.6°(0.33), 81.1°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-184038 | 4.36 4.36 4.36
60 60 60
Sc 0.500 0.500 0.500
Zn 0.000 0.000 0.000
Ga 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: GaCo4.
The XRD pattern shows main peaks at: 43.3°(1.0), 45.4°(0.27), 51.0°(0.57), 73.6°(0.17), 89.4°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-105500 | 10.11 10.11 10.11
14 14 14
Ga 0.000 0.000 0.000
Co 0.598 0.598 0.598
Co 0.200 0.200 0.200
Co 0.800 0.800 0.800
Co 0.402 0.402 0.402 |
Below is a description of a material. | The chemical formula is: NbBrO3.
The XRD pattern shows main peaks at: 21.7°(0.06), 30.9°(1.0), 44.3°(0.42), 55.0°(0.36), 64.4°(0.14), 73.2°(0.13), 81.5°(0.07), 89.6°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-136121 | 4.09 4.09 4.09
90 90 90
Nb 0.227 0.227 0.227
Br 0.745 0.745 0.745
O 0.259 -0.243 0.259
O 0.259 0.259 -0.243
O -0.243 0.259 0.259 |
Below is a description of a material. | The chemical formula is: BaSnTe.
The XRD pattern shows main peaks at: 24.0°(1.0), 28.5°(0.3), 34.2°(0.4), 37.6°(0.57), 45.1°(0.33), 49.2°(0.14), 55.4°(0.18), 57.8°(0.16), 63.5°(0.24), 79.3°(0.07), 82.3°(0.07), 84.3°(0.06), 89.3°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and a... | JVASP-114579 | 3.71 3.71 9.39
90 90 90
Ba 0.000 0.000 0.367
Sn 0.000 0.000 0.011
Te 0.000 0.000 0.715 |
Below is a description of a material. | The chemical formula is: MoIr.
The XRD pattern shows main peaks at: 27.2°(0.15), 32.2°(0.06), 37.3°(0.19), 40.5°(0.31), 42.6°(1.0), 56.1°(0.14), 66.9°(0.15), 67.4°(0.08), 75.0°(0.2), 81.2°(0.18), 81.6°(0.09), 82.4°(0.08), 82.9°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and a... | JVASP-16564 | 2.78 4.46 4.85
90 90 90
Mo 0.000 0.250 0.829
Mo 0.000 0.750 0.171
Ir 0.500 0.250 0.324
Ir 0.500 0.750 0.676 |
Below is a description of a material. | The chemical formula is: BC2.
The XRD pattern shows main peaks at: 29.2°(0.05), 34.2°(0.4), 35.8°(1.0), 37.0°(0.55), 46.6°(0.19), 52.9°(0.06), 53.9°(0.06), 56.1°(0.09), 57.9°(0.09), 67.8°(0.1), 68.3°(0.1), 76.2°(0.15), 77.4°(0.06), 80.3°(0.06), 83.0°(0.11), 87.1°(0.06).
Generate atomic structure description with lattic... | JVASP-137780 | 3.77 2.75 3.52
67 115 68
B 0.885 0.173 0.919
C 0.729 0.689 0.041
C 0.481 0.718 0.233 |
Below is a description of a material. | The chemical formula is: SiSnPt2.
The XRD pattern shows main peaks at: 16.4°(0.19), 24.7°(0.07), 29.7°(0.47), 33.1°(0.15), 35.2°(1.0), 39.0°(0.1), 41.7°(0.96), 49.0°(0.21), 50.6°(0.41), 59.8°(0.15), 61.8°(0.11), 63.0°(0.08), 67.6°(0.43), 74.3°(0.17), 74.9°(0.15), 80.2°(0.05), 83.8°(0.05), 85.0°(0.18), 89.0°(0.11).
Gene... | JVASP-184891 | 3.61 3.61 5.42
90 90 90
Si 0.500 0.500 0.553
Sn 0.000 0.000 0.921
Pt 0.000 0.000 0.435
Pt 0.500 0.500 0.101 |
Below is a description of a material. | The chemical formula is: HfNiGe.
The XRD pattern shows main peaks at: 24.4°(0.09), 26.1°(0.23), 27.4°(0.09), 36.1°(0.11), 36.6°(0.53), 37.0°(0.25), 38.2°(1.0), 39.5°(0.28), 43.5°(0.12), 43.9°(0.27), 46.2°(0.08), 47.0°(0.31), 48.8°(0.1), 57.6°(0.12), 61.3°(0.11), 63.0°(0.14), 65.5°(0.08), 71.8°(0.16), 81.4°(0.11), 84.4°... | JVASP-152006 | 3.87 6.51 7.30
90 90 90
Hf 0.250 0.019 0.191
Hf 0.750 0.481 0.691
Hf 0.750 0.981 0.809
Hf 0.250 0.519 0.309
Ni 0.250 0.141 0.564
Ni 0.750 0.359 0.064
Ni 0.750 0.859 0.436
Ni 0.250 0.641 0.936
Ge 0.250 0.764 0.615
Ge 0.750 0.736 0.115
Ge 0.750 0.236 0.385
Ge 0.250 0.264 0.885 |
Below is a description of a material. | The chemical formula is: CoAgO.
The XRD pattern shows main peaks at: 32.8°(0.18), 36.5°(0.26), 37.6°(1.0), 49.8°(0.13), 58.5°(0.17), 66.4°(0.17), 70.9°(0.2), 71.6°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-182637 | 3.16 3.16 4.93
90 90 120
Co 0.333 0.667 0.500
Ag -0.000 0.000 0.000
O 0.667 0.333 0.500 |
Below is a description of a material. | The chemical formula is: U2Al3Fe.
The XRD pattern shows main peaks at: 19.4°(0.63), 21.0°(0.48), 33.0°(0.62), 34.9°(0.83), 38.6°(0.15), 39.4°(0.1), 40.2°(1.0), 41.1°(0.21), 48.8°(0.11), 50.9°(0.15), 57.6°(0.11), 61.4°(0.21), 62.6°(0.15), 63.2°(0.14), 66.2°(0.25), 69.2°(0.12), 73.7°(0.14).
Generate atomic structure desc... | JVASP-102661 | 5.14 5.14 5.45
90 61 120
U 0.472 0.736 0.791
U 0.028 0.014 0.959
Al 0.250 0.375 0.375
Al 0.250 0.875 0.375
Al 0.750 0.375 0.375
Fe 0.750 0.375 0.875 |
Below is a description of a material. | The chemical formula is: Zr4Sc5N10.
The XRD pattern shows main peaks at: 8.7°(0.1), 17.4°(0.08), 19.5°(0.11), 21.6°(0.18), 23.4°(0.14), 24.8°(0.06), 26.3°(0.06), 34.3°(1.0), 39.6°(0.73), 40.2°(0.4), 57.3°(0.12), 57.7°(0.45), 68.5°(0.19), 69.3°(0.13), 72.3°(0.11).
Generate atomic structure description with lattice lengt... | JVASP-141385 | 5.56 5.56 10.17
89 89 47
Zr 0.700 0.700 0.097
Zr 0.407 0.407 0.195
Zr 0.593 0.593 0.805
Zr 0.300 0.300 0.903
Sc 0.100 0.100 0.299
Sc 0.802 0.802 0.404
Sc 0.500 0.500 0.500
Sc 0.198 0.198 0.596
Sc 0.900 0.900 0.701
N 0.785 0.785 0.896
N 0.600 0.600 0.298
N 0.894 0.894 0.212
N 0.699 0.699 0.600
N 0.400 0.400 0.702
N 0.10... |
Below is a description of a material. | The chemical formula is: MgTe2.
The XRD pattern shows main peaks at: 21.7°(0.3), 25.2°(0.08), 28.2°(1.0), 30.9°(0.87), 42.3°(0.26), 46.2°(0.41), 48.1°(0.55), 51.6°(0.16), 59.9°(0.2), 61.4°(0.11), 68.9°(0.15), 71.8°(0.23), 73.2°(0.14), 76.0°(0.14), 84.3°(0.13).
Generate atomic structure description with lattice lengths,... | JVASP-9131 | 7.08 7.08 7.08
90 90 90
Mg 0.000 0.000 0.000
Mg 0.500 0.000 0.500
Mg 0.500 0.500 0.000
Mg 0.000 0.500 0.500
Te 0.386 0.386 0.386
Te 0.114 0.614 0.886
Te 0.886 0.114 0.614
Te 0.614 0.886 0.114
Te 0.614 0.614 0.614
Te 0.886 0.386 0.114
Te 0.114 0.886 0.386
Te 0.386 0.114 0.886 |
Below is a description of a material. | The chemical formula is: GaFe7N2.
The XRD pattern shows main peaks at: 41.7°(1.0), 48.5°(0.56), 71.1°(0.31), 85.9°(0.32).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-113782 | 5.31 5.31 5.31
60 60 60
Ga 0.000 0.000 0.000
Fe 0.500 0.000 -0.000
Fe -0.000 0.500 0.500
Fe 0.000 0.000 0.500
Fe 0.500 0.500 -0.000
Fe -0.000 0.500 -0.000
Fe 0.500 0.000 0.500
Fe 0.500 0.500 0.500
N 0.250 0.250 0.250
N 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: Nd2Mg.
The XRD pattern shows main peaks at: 13.0°(0.16), 24.9°(0.3), 26.3°(0.1), 31.2°(1.0), 34.3°(0.38), 39.8°(0.11), 43.7°(0.11), 49.2°(0.13), 53.5°(0.21), 59.5°(0.31), 65.1°(0.11), 67.0°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-109063 | 7.27 7.27 7.27
150 150 42
Nd 0.659 0.659 0.000
Nd 0.341 0.341 -0.000
Mg 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Be2SiMo.
The XRD pattern shows main peaks at: 18.2°(1.0), 28.3°(0.35), 33.9°(0.9), 36.9°(0.09), 40.5°(0.57), 44.8°(0.35), 47.2°(0.72), 56.0°(0.1), 58.6°(0.18), 61.9°(0.14), 64.6°(0.13), 66.4°(0.06), 69.5°(0.2), 72.0°(0.1), 78.5°(0.31), 86.0°(0.06), 87.6°(0.06).
Generate atomic structure descrip... | JVASP-74478 | 3.15 3.15 4.87
90 90 90
Be 0.000 0.000 0.009
Be 0.500 0.500 0.237
Si 0.500 0.500 0.751
Mo 0.000 0.000 0.503 |
Below is a description of a material. | The chemical formula is: Be2PBr.
The XRD pattern shows main peaks at: 14.8°(0.3), 27.2°(0.17), 29.8°(0.34), 31.1°(1.0), 38.9°(0.4), 40.8°(0.15), 41.8°(0.1), 49.8°(0.32), 53.8°(0.25), 56.2°(0.13), 64.9°(0.14), 65.6°(0.22), 71.7°(0.05), 75.6°(0.08), 81.5°(0.15), 86.5°(0.06), 88.5°(0.06).
Generate atomic structure descrip... | JVASP-71387 | 3.27 3.27 5.99
90 90 90
Be 0.000 0.000 0.876
Be 0.500 0.500 0.270
P 0.500 0.500 0.924
Br 0.000 0.000 0.429 |
Below is a description of a material. | The chemical formula is: SmEuS2.
The XRD pattern shows main peaks at: 27.4°(0.85), 31.7°(1.0), 45.5°(0.79), 53.9°(0.39), 56.5°(0.24), 66.3°(0.12), 73.2°(0.17), 75.4°(0.35), 84.1°(0.27).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-100546 | 3.99 3.99 5.64
90 90 90
Sm 0.500 0.500 0.500
Eu 0.000 0.000 0.000
S 0.000 0.000 0.500
S 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: ZrCo2P2.
The XRD pattern shows main peaks at: 31.7°(1.0), 41.1°(0.68), 44.8°(0.17), 49.6°(0.57), 53.7°(0.13), 60.1°(0.16), 66.3°(0.15), 68.5°(0.09), 69.0°(0.24), 81.6°(0.12), 85.6°(0.07), 87.1°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types... | JVASP-193776 | 3.68 3.68 6.07
90 90 119
P 0.333 0.667 0.272
P 0.667 0.333 0.728
Co 0.667 0.333 0.363
Co 0.333 0.667 0.637
Zr 0.000 -0.000 0.000 |
Below is a description of a material. | The chemical formula is: Ni3Pb.
The XRD pattern shows main peaks at: 23.4°(0.38), 33.3°(0.34), 41.0°(1.0), 47.8°(0.5), 53.8°(0.19), 59.4°(0.13), 69.9°(0.3), 74.8°(0.1), 79.6°(0.07), 84.3°(0.38), 89.0°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-38644 | 3.81 3.81 3.81
90 90 90
Ni 0.500 0.000 0.500
Ni 0.000 0.500 0.500
Ni 0.500 0.500 0.000
Pb 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Er2Mg3Ru.
The XRD pattern shows main peaks at: 7.1°(1.0), 26.6°(0.06), 34.5°(0.27), 38.0°(0.15), 38.7°(0.08), 39.6°(0.15), 45.5°(0.05), 54.8°(0.05), 66.4°(0.09), 69.7°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-35859 | 3.35 3.35 12.41
90 90 90
Er 0.500 0.500 0.868
Er 0.500 0.500 0.132
Mg 0.000 0.000 0.665
Mg 0.000 0.000 0.335
Mg 0.500 0.500 0.500
Ru 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: LiCuGePd.
The XRD pattern shows main peaks at: 25.7°(0.25), 29.8°(0.18), 42.6°(1.0), 61.8°(0.15), 78.0°(0.31).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-192561 | 4.24 4.24 4.24
60 60 60
Ge 0.250 0.250 0.250
Cu 0.500 0.500 0.500
Pd -0.000 -0.000 0.000
Li 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: MgSiN2.
The XRD pattern shows main peaks at: 38.0°(0.35), 43.3°(1.0), 46.0°(0.38), 62.9°(0.28), 65.0°(0.49), 75.9°(0.14), 79.7°(0.06), 81.3°(0.25).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-114338 | 2.96 2.96 3.95
90 90 90
Mg 0.500 0.500 0.502
Si 0.000 0.000 0.002
N 0.000 0.000 0.503
N 0.500 0.500 0.003 |
Below is a description of a material. | The chemical formula is: Na2CoO3.
The XRD pattern shows main peaks at: 16.8°(0.77), 19.8°(0.11), 20.6°(0.18), 22.7°(0.16), 26.0°(0.1), 33.9°(0.21), 35.1°(0.12), 36.4°(0.31), 41.8°(1.0), 53.9°(0.09), 58.5°(0.3), 59.0°(0.15), 62.1°(0.38), 69.7°(0.08), 71.4°(0.06), 72.6°(0.06), 77.4°(0.12), 77.9°(0.06).
Generate atomic st... | JVASP-44064 | 5.18 5.18 5.58
80 99 59
Na 0.157 0.157 0.500
Na 0.843 0.843 0.500
Na 0.500 0.500 0.500
Na 0.000 0.000 0.000
Co 0.667 0.667 -0.000
Co 0.333 0.333 -0.000
O 0.310 0.690 0.802
O 0.068 0.553 0.198
O 0.447 0.932 0.198
O 0.932 0.447 0.802
O 0.553 0.068 0.802
O 0.690 0.310 0.198 |
Below is a description of a material. | The chemical formula is: NaVF3.
The XRD pattern shows main peaks at: 21.7°(0.9), 30.9°(1.0), 38.1°(0.14), 44.3°(1.0), 49.8°(0.28), 55.0°(0.36), 64.4°(0.54), 68.8°(0.11), 73.2°(0.13), 81.5°(0.16), 85.6°(0.05), 89.7°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-92608 | 4.09 4.09 4.09
90 90 90
Na 0.000 0.000 0.000
V 0.500 0.500 0.500
F 0.000 0.500 0.500
F 0.500 0.000 0.500
F 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: TiNi3.
The XRD pattern shows main peaks at: 41.0°(0.09), 42.5°(0.48), 43.6°(0.39), 46.7°(1.0), 53.2°(0.24), 71.2°(0.09), 74.8°(0.19).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-153801 | 5.08 5.08 8.30
90 90 120
Ti 0.000 0.000 0.000
Ti 0.000 0.000 0.500
Ti 0.333 0.667 0.250
Ti 0.667 0.333 0.750
Ni 0.500 -0.000 0.000
Ni -0.000 0.500 0.000
Ni 0.500 0.500 0.000
Ni 0.500 -0.000 0.500
Ni -0.000 0.500 0.500
Ni 0.500 0.500 0.500
Ni 0.829 0.171 0.250
Ni 0.829 0.657 0.250
Ni 0.343 0.171 0.250
Ni 0.171 0.829 0.7... |
Below is a description of a material. | The chemical formula is: Mn2BeW.
The XRD pattern shows main peaks at: 27.1°(0.86), 31.3°(0.08), 44.9°(1.0), 53.2°(0.42), 65.4°(0.16), 72.1°(0.16), 82.9°(0.32), 89.2°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-71854 | 4.04 4.04 4.04
120 120 89
Mn 0.000 0.000 0.000
Mn 0.500 0.500 0.000
Be 0.750 0.250 0.500
W 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: MgMo2O4.
The XRD pattern shows main peaks at: 17.9°(0.86), 34.7°(1.0), 36.3°(0.37), 42.1°(0.52), 61.1°(0.5), 77.0°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-9812 | 6.06 6.06 6.07
119 119 90
Mg 0.375 0.625 0.750
Mg 0.625 0.375 0.250
Mo -0.000 -0.000 0.500
Mo -0.000 0.500 -0.000
Mo 0.500 -0.000 0.500
Mo 0.000 0.000 0.000
O 0.752 0.756 0.504
O 0.752 0.248 0.996
O 0.244 0.248 0.996
O 0.248 0.244 0.496
O 0.248 0.752 0.496
O 0.248 0.752 0.004
O 0.752 0.248 0.504
O 0.756 0.752 0.004 |
Below is a description of a material. | The chemical formula is: Li3MnFe3O8.
The XRD pattern shows main peaks at: 18.5°(1.0), 37.5°(0.41), 39.1°(0.11), 45.0°(0.65), 49.1°(0.12), 58.9°(0.15), 64.5°(0.17), 66.6°(0.18), 69.8°(0.13), 84.1°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-142873 | 5.78 5.78 5.78
58 58 58
Li -0.000 0.000 0.500
Li -0.000 0.500 -0.000
Li 0.500 -0.000 0.000
Mn 0.000 0.000 0.000
Fe 0.500 0.500 -0.000
Fe 0.500 0.000 0.500
Fe -0.000 0.500 0.500
O 0.741 0.741 0.741
O 0.237 0.237 0.744
O 0.237 0.744 0.237
O 0.259 0.259 0.259
O 0.744 0.237 0.237
O 0.763 0.763 0.256
O 0.763 0.256 0.763
O 0... |
Below is a description of a material. | The chemical formula is: DyHo3.
The XRD pattern shows main peaks at: 31.4°(1.0), 36.4°(0.48), 52.5°(0.36), 62.5°(0.39), 65.6°(0.12), 77.4°(0.06), 85.9°(0.18), 88.7°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-109519 | 4.93 4.93 4.93
90 90 90
Dy 0.000 0.000 0.000
Ho 0.000 0.500 0.500
Ho 0.500 0.000 0.500
Ho 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: TiTcSn.
The XRD pattern shows main peaks at: 19.3°(0.06), 28.5°(0.19), 38.2°(0.6), 40.0°(1.0), 55.1°(0.2), 55.9°(0.06), 60.5°(0.06), 70.2°(0.34), 73.8°(0.15), 81.7°(0.06), 86.3°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-190277 | 3.33 3.33 5.16
108 108 90
Ti 0.935 0.935 0.870
Sn 0.619 0.619 0.237
Tc 0.296 0.296 0.593 |
Below is a description of a material. | The chemical formula is: RbBiCl.
The XRD pattern shows main peaks at: 16.9°(0.75), 27.0°(0.42), 29.5°(1.0), 32.0°(0.34), 34.2°(0.14), 40.4°(0.86), 44.1°(0.14), 45.7°(0.12), 52.3°(0.2), 53.9°(0.17), 55.6°(0.05), 58.6°(0.07), 59.8°(0.27), 61.2°(0.12), 64.2°(0.22), 68.1°(0.18), 79.9°(0.11), 84.6°(0.1), 87.3°(0.1).
Generat... | JVASP-134157 | 6.06 6.06 3.30
90 90 120
Rb 0.667 0.333 0.000
Bi 0.000 0.000 0.000
Cl 0.333 0.667 0.000 |
Below is a description of a material. | The chemical formula is: Be3Au.
The XRD pattern shows main peaks at: 25.8°(0.31), 28.6°(1.0), 36.3°(0.27), 45.1°(0.37), 47.3°(0.26), 52.3°(0.12), 53.1°(0.06), 59.2°(0.13), 60.7°(0.25), 66.0°(0.1), 73.1°(0.13), 73.8°(0.07), 77.7°(0.07), 82.9°(0.05), 84.2°(0.05).
Generate atomic structure description with lattice lengths... | JVASP-182570 | 3.50 3.50 4.25
114 114 90
Be 0.250 0.750 0.500
Be 0.750 0.250 0.500
Be 0.500 0.500 -0.000
Au 0.000 0.000 -0.000 |
Below is a description of a material. | The chemical formula is: SmZnPd.
The XRD pattern shows main peaks at: 24.1°(0.14), 27.9°(0.12), 33.4°(1.0), 36.3°(0.97), 37.2°(0.39), 42.4°(0.38), 44.0°(0.22), 46.4°(0.24), 57.0°(0.2), 61.0°(0.16), 64.7°(0.21), 68.3°(0.29), 77.7°(0.09), 78.7°(0.11), 79.4°(0.1).
Generate atomic structure description with lattice lengths... | JVASP-90028 | 3.91 7.38 7.38
120 90 90
Sm 0.000 0.594 -0.000
Sm 0.000 0.406 0.406
Sm 0.000 -0.000 0.594
Zn 0.500 0.249 -0.000
Zn 0.500 0.751 0.751
Zn 0.500 1.000 0.249
Pd 0.000 1.000 -0.000
Pd 0.500 0.333 0.667
Pd 0.500 0.667 0.333 |
Below is a description of a material. | The chemical formula is: MgCr2Se4.
The XRD pattern shows main peaks at: 14.3°(0.41), 27.6°(0.11), 28.8°(0.49), 33.4°(1.0), 43.9°(0.31), 48.0°(0.87), 57.0°(0.09), 59.8°(0.19), 70.2°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-36753 | 7.58 7.58 7.58
59 59 59
Mg 0.875 0.875 0.875
Mg 0.125 0.125 0.125
Cr 0.500 0.500 0.500
Cr 0.500 0.000 0.500
Cr 0.500 0.500 1.000
Cr 1.000 0.500 0.500
Se 0.737 0.738 0.737
Se 0.263 0.712 0.263
Se 0.712 0.263 0.263
Se 0.263 0.263 0.712
Se 0.288 0.737 0.737
Se 0.737 0.737 0.288
Se 0.263 0.263 0.263
Se 0.737 0.288 0.737 |
Below is a description of a material. | The chemical formula is: SrLi4P2.
The XRD pattern shows main peaks at: 11.3°(0.75), 24.4°(0.59), 28.5°(1.0), 30.8°(0.44), 34.4°(0.14), 36.2°(0.27), 39.2°(0.49), 42.3°(0.5), 46.5°(0.09), 51.8°(0.17), 55.7°(0.18), 59.1°(0.13), 64.7°(0.19).
Generate atomic structure description with lattice lengths, angles, coordinates an... | JVASP-86285 | 8.20 8.20 8.20
30 30 30
Sr 0.000 0.000 0.000
Li 0.430 0.430 0.430
Li 0.138 0.138 0.138
Li 0.570 0.570 0.570
Li 0.862 0.862 0.862
P 0.754 0.754 0.754
P 0.246 0.246 0.246 |
Below is a description of a material. | The chemical formula is: Sr3Li.
The XRD pattern shows main peaks at: 14.9°(0.1), 17.6°(0.26), 22.7°(0.07), 27.2°(1.0), 30.0°(0.2), 32.3°(0.31), 37.0°(0.08), 43.0°(0.05), 44.6°(0.24), 46.3°(0.12), 51.6°(0.17), 54.5°(0.28), 56.1°(0.12), 71.8°(0.14), 74.2°(0.05), 75.6°(0.05), 84.6°(0.08).
Generate atomic structure descrip... | JVASP-78999 | 7.13 7.13 7.13
134 134 66
Sr 0.750 0.250 0.500
Sr 0.250 0.750 0.500
Sr 0.500 0.500 0.000
Li 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Ti2BeFe.
The XRD pattern shows main peaks at: 15.2°(0.11), 30.2°(0.19), 30.7°(0.06), 33.9°(0.46), 43.2°(0.64), 43.6°(1.0), 46.8°(0.13), 56.7°(0.05), 62.7°(0.2), 65.5°(0.16), 73.2°(0.08), 79.4°(0.27), 80.3°(0.07), 81.8°(0.08).
Generate atomic structure description with lattice lengths, angles, c... | JVASP-67590 | 2.96 2.96 5.82
90 90 90
Ti 0.000 0.000 0.971
Ti 0.500 0.500 0.286
Be 0.000 0.000 0.541
Fe 0.500 0.500 0.702 |
Below is a description of a material. | The chemical formula is: LiCoPO4.
The XRD pattern shows main peaks at: 20.8°(1.0), 21.9°(0.65), 23.3°(0.82), 25.7°(0.11), 34.3°(0.49), 35.8°(0.75), 37.7°(0.44), 42.3°(0.15), 43.1°(0.3), 51.1°(0.2), 56.3°(0.22), 64.3°(0.29), 68.5°(0.12), 69.4°(0.05).
Generate atomic structure description with lattice lengths, angles, co... | JVASP-47637 | 5.02 8.17 5.02
107 60 107
Li 0.150 0.450 0.150
Li 0.426 0.277 0.426
Co 0.018 0.053 0.018
Co 0.558 0.673 0.558
P 0.869 0.608 0.869
P 0.706 0.118 0.706
O 0.149 0.541 0.562
O 0.014 0.186 0.745
O 0.427 0.186 0.014
O 0.640 0.919 0.640
O 0.831 0.541 0.149
O 0.562 0.541 0.831
O 0.745 0.186 0.427
O 0.936 0.808 0.936 |
Below is a description of a material. | The chemical formula is: Be2HgTe.
The XRD pattern shows main peaks at: 14.9°(0.06), 29.1°(1.0), 30.0°(0.27), 35.4°(0.35), 47.1°(0.31), 51.0°(0.12), 52.7°(0.21), 59.8°(0.25), 60.3°(0.14), 73.8°(0.08), 76.4°(0.13), 82.8°(0.06), 84.6°(0.06), 85.8°(0.06).
Generate atomic structure description with lattice lengths, angles, ... | JVASP-68901 | 3.58 3.58 5.96
90 90 90
Be 0.000 0.000 0.861
Be 0.500 0.500 0.322
Hg 0.000 0.000 0.407
Te 0.500 0.500 0.911 |
Below is a description of a material. | The chemical formula is: DyIn3.
The XRD pattern shows main peaks at: 33.5°(1.0), 38.9°(0.5), 56.2°(0.32), 67.0°(0.39), 70.4°(0.11), 83.5°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-17642 | 4.63 4.63 4.63
90 90 90
Dy 0.000 0.000 0.000
In 0.500 0.000 0.500
In 0.000 0.500 0.500
In 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: Al2GaTc.
The XRD pattern shows main peaks at: 16.6°(0.06), 26.7°(0.52), 33.5°(0.15), 38.1°(0.75), 43.3°(1.0), 51.6°(0.17), 55.0°(0.24), 62.1°(0.09), 65.9°(0.08), 70.4°(0.05), 72.5°(0.39), 76.7°(0.05), 81.5°(0.08), 82.9°(0.14).
Generate atomic structure description with lattice lengths, angles, ... | JVASP-191270 | 3.34 3.34 5.35
90 90 90
Tc 0.500 0.500 0.500
Ga 0.500 0.500 0.000
Al -0.000 -0.000 0.738
Al 0.000 0.000 0.262 |
Below is a description of a material. | The chemical formula is: MnV.
The XRD pattern shows main peaks at: 44.7°(1.0), 65.1°(0.13), 82.4°(0.28).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-14652 | 2.87 2.87 2.87
90 90 90
Mn 0.000 0.000 0.000
V 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: LiThRh2.
The XRD pattern shows main peaks at: 23.2°(0.58), 38.4°(1.0), 45.3°(0.29), 55.4°(0.18), 69.4°(0.36), 82.2°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-107189 | 4.69 4.69 4.69
60 60 60
Li 0.500 0.500 0.500
Th 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: RbPbBr3.
The XRD pattern shows main peaks at: 12.4°(0.33), 15.6°(0.28), 20.0°(0.56), 20.9°(0.32), 26.2°(0.07), 26.7°(0.25), 27.5°(0.82), 28.6°(0.4), 31.7°(1.0), 34.1°(0.08), 37.5°(0.1), 38.2°(0.32), 40.7°(0.53), 41.2°(0.36), 42.3°(0.24), 45.7°(0.14), 49.0°(0.13), 52.4°(0.16), 53.9°(0.07), 59.2°... | JVASP-36964 | 4.44 11.33 7.47
90 107 90
Rb 0.750 0.010 0.500
Rb 0.250 0.510 0.500
Pb 1.000 0.760 -0.000
Pb 0.000 0.260 0.000
Br 0.642 0.708 0.284
Br 0.358 0.208 0.716
Br 0.642 0.311 0.284
Br 0.358 0.811 0.716
Br 0.069 0.010 0.137
Br 0.931 0.510 0.863 |
Below is a description of a material. | The chemical formula is: Ce3Ga.
The XRD pattern shows main peaks at: 19.2°(0.06), 33.6°(1.0), 39.0°(0.48), 56.3°(0.34), 67.2°(0.37), 70.6°(0.11), 83.7°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-17552 | 4.62 4.62 4.62
90 90 90
Ce 0.500 0.500 0.000
Ce 0.500 0.000 0.500
Ce 0.000 0.500 0.500
Ga 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: TcHg.
The XRD pattern shows main peaks at: 18.5°(0.15), 35.6°(0.31), 37.6°(0.26), 40.4°(1.0), 52.7°(0.2), 63.9°(0.16), 69.7°(0.2), 76.6°(0.2), 78.4°(0.14), 87.4°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-124181 | 2.91 2.91 4.79
90 90 120
Tc 0.333 0.667 0.750
Hg 0.667 0.333 0.250 |
Below is a description of a material. | The chemical formula is: UGeS.
The XRD pattern shows main peaks at: 24.6°(1.0), 30.4°(0.67), 32.7°(0.21), 39.4°(0.68), 43.2°(0.54), 43.5°(0.41), 50.6°(0.44), 55.5°(0.07), 63.0°(0.35), 68.3°(0.16), 68.9°(0.12), 71.7°(0.13), 77.1°(0.18), 79.6°(0.1), 84.5°(0.18).
Generate atomic structure description with lattice lengths,... | JVASP-51519 | 4.16 4.16 7.27
90 90 90
U 0.500 0.000 0.760
U 0.000 0.500 0.240
Ge 0.000 0.500 0.633
Ge 0.500 0.000 0.367
S 0.500 0.500 0.000
S 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: GeS3.
The XRD pattern shows main peaks at: 16.7°(0.26), 19.0°(0.66), 25.4°(1.0), 26.0°(0.62), 31.1°(0.7), 33.8°(0.9), 37.9°(0.97), 38.6°(0.09), 39.1°(0.19), 41.6°(0.14), 43.1°(0.3), 49.5°(0.22), 51.6°(0.78), 56.4°(0.15), 58.0°(0.18), 59.4°(0.12), 61.3°(0.24), 70.1°(0.15), 71.1°(0.09), 83.5°(0.1... | JVASP-139031 | 3.68 5.02 5.31
89 89 68
Ge 0.469 0.208 0.440
S 0.180 0.856 -0.060
S 0.804 0.526 0.440
S 0.432 0.137 0.940 |
Below is a description of a material. | The chemical formula is: YCoC.
The XRD pattern shows main peaks at: 35.1°(0.46), 35.9°(1.0), 50.5°(0.19), 52.8°(0.08), 63.5°(0.34), 65.0°(0.15), 74.2°(0.05), 76.1°(0.11), 84.8°(0.06), 85.2°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-18086 | 3.62 3.62 6.93
90 90 90
Y 0.000 0.000 0.750
Y 0.000 0.000 0.250
Co 0.500 0.500 0.000
Co 0.500 0.500 0.500
C 0.500 0.000 0.500
C 0.000 0.500 0.000 |
Below is a description of a material. | The chemical formula is: BePd.
The XRD pattern shows main peaks at: 31.6°(1.0), 45.3°(0.9), 56.3°(0.26), 66.0°(0.14), 75.1°(0.3), 83.7°(0.3).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-16458 | 2.83 2.83 2.83
90 90 90
Be 0.000 0.000 0.000
Pd 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: BeFePb2.
The XRD pattern shows main peaks at: 24.2°(0.75), 33.9°(0.33), 34.2°(0.31), 36.5°(1.0), 46.2°(0.27), 48.9°(0.12), 52.8°(0.2), 58.6°(0.29), 62.4°(0.2), 66.2°(0.05), 67.4°(0.08), 69.5°(0.09), 77.7°(0.13), 79.2°(0.23), 84.5°(0.05), 89.3°(0.08).
Generate atomic structure description with l... | JVASP-68448 | 5.98 5.98 5.98
141 141 55
Be 0.500 0.500 0.000
Fe 0.750 0.250 0.500
Pb 0.000 0.000 0.000
Pb 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: SrPmPt2.
The XRD pattern shows main peaks at: 24.7°(0.07), 35.2°(1.0), 50.6°(0.19), 63.1°(0.39), 74.3°(0.11), 85.0°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-104618 | 5.10 5.10 5.10
60 60 60
Sr 0.000 0.000 0.000
Pm 0.500 0.500 0.500
Pt 0.250 0.250 0.250
Pt 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: Yb2ZnRh.
The XRD pattern shows main peaks at: 26.1°(0.11), 37.3°(1.0), 53.8°(0.17), 67.3°(0.34), 79.5°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-38818 | 4.82 4.82 4.82
60 60 60
Yb 0.000 0.000 0.000
Yb 0.500 0.500 0.500
Zn 0.750 0.750 0.750
Rh 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: LaIn2Pb.
The XRD pattern shows main peaks at: 32.0°(1.0), 36.2°(0.19), 37.6°(0.36), 53.2°(0.24), 54.3°(0.07), 62.4°(0.14), 64.4°(0.21), 67.0°(0.07), 87.3°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-188337 | 8.40 4.78 4.97
89 53 124
Pb 0.500 0.500 -0.000
In 0.000 0.000 -0.000
In 0.500 0.000 0.500
La -0.000 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Rb2VAgSe4.
The XRD pattern shows main peaks at: 14.9°(0.49), 26.0°(0.28), 27.0°(1.0), 30.1°(0.18), 31.0°(0.38), 32.6°(0.16), 37.6°(0.36), 40.2°(0.11), 40.7°(0.13), 45.9°(0.18), 48.9°(0.09), 50.2°(0.21), 53.5°(0.06), 55.8°(0.1).
Generate atomic structure description with lattice lengths, angles,... | JVASP-11206 | 6.00 7.48 12.26
84 75 66
Rb 0.943 0.750 0.114
Rb 0.307 0.750 0.386
Rb 0.693 0.250 0.614
Rb 0.057 0.250 0.886
V 0.875 0.250 0.250
V 0.125 0.750 0.750
Ag 0.375 0.250 0.250
Ag 0.625 0.750 0.750
Se 0.075 0.548 0.634
Se 0.757 0.952 0.866
Se 0.623 0.452 0.134
Se 0.709 0.048 0.366
Se 0.377 0.548 0.866
Se 0.291 0.952 0.634
Se ... |
Below is a description of a material. | The chemical formula is: LiFe2O2F3.
The XRD pattern shows main peaks at: 8.4°(1.0), 18.4°(0.23), 19.9°(0.06), 20.7°(0.11), 25.9°(0.6), 27.1°(0.32), 30.7°(0.27), 32.4°(0.14), 34.1°(0.08), 36.9°(0.07), 38.1°(0.15), 44.6°(0.1), 46.9°(0.16), 49.4°(0.21), 50.2°(0.23), 52.4°(0.07), 59.4°(0.07), 61.5°(0.09), 70.5°(0.09), 73.5... | JVASP-42721 | 3.69 5.17 10.53
92 89 110
Li 0.859 0.722 0.953
Li 0.138 0.281 0.048
Fe 0.863 0.732 0.534
Fe 0.829 0.662 0.242
Fe 0.168 0.341 0.758
Fe 0.133 0.272 0.466
O 0.967 0.940 0.374
O 0.312 0.629 0.561
O 0.685 0.375 0.439
O 0.029 0.064 0.626
F 0.963 0.930 0.118
F 0.299 0.603 0.913
F 0.736 0.477 0.738
F 0.261 0.527 0.262
F 0.697 ... |
Below is a description of a material. | The chemical formula is: KIn3.
The XRD pattern shows main peaks at: 19.7°(0.08), 32.5°(1.0), 46.6°(0.16), 58.0°(0.36), 68.1°(0.11), 77.5°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-102511 | 5.51 5.51 5.51
60 60 60
K 0.000 0.000 0.000
In 0.750 0.750 0.750
In 0.250 0.250 0.250
In 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: NiSnSb.
The XRD pattern shows main peaks at: 24.2°(0.11), 28.0°(0.43), 40.0°(1.0), 47.3°(0.05), 49.5°(0.11), 57.9°(0.16), 65.5°(0.16), 72.7°(0.32), 86.3°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-161067 | 4.51 4.51 4.51
60 60 60
Ni 0.000 0.000 0.000
Sn 0.750 0.750 0.750
Sb 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: Nb2CoB2.
The XRD pattern shows main peaks at: 24.2°(0.14), 30.0°(0.2), 33.5°(0.25), 38.4°(0.32), 41.7°(1.0), 45.9°(0.09), 49.5°(0.23), 56.5°(0.12), 70.3°(0.11), 71.7°(0.19), 72.5°(0.12), 82.9°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-181270 | 4.66 4.66 4.66
139 119 75
Nb 0.708 0.208 0.500
Nb 0.292 0.792 0.500
Co 0.000 0.000 -0.000
B 0.700 0.500 0.200
B 0.300 0.500 0.800 |
Below is a description of a material. | The chemical formula is: TiIn2Pd.
The XRD pattern shows main peaks at: 16.1°(0.14), 20.3°(0.08), 34.9°(0.5), 35.3°(1.0), 41.2°(0.31), 42.0°(0.3), 43.0°(0.58), 57.1°(0.22), 58.5°(0.11), 66.1°(0.16), 68.0°(0.07), 69.9°(0.12), 72.4°(0.11), 73.3°(0.11), 74.1°(0.1), 74.6°(0.11), 81.4°(0.08).
Generate atomic structure descri... | JVASP-180087 | 4.74 4.74 5.63
100 100 38
Ti -0.000 -0.000 0.000
In 0.245 0.245 0.737
In 0.755 0.755 0.263
Pd 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: TmMn2Ge2.
The XRD pattern shows main peaks at: 16.4°(0.07), 32.5°(0.33), 33.2°(0.06), 33.9°(0.94), 36.6°(1.0), 46.6°(0.53), 48.2°(0.43), 58.9°(0.37), 61.6°(0.14), 68.0°(0.17), 69.3°(0.31), 69.8°(0.07), 88.1°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates ... | JVASP-15295 | 3.90 3.90 6.05
108 108 90
Tm 0.000 0.000 0.000
Mn 0.250 0.750 0.500
Mn 0.750 0.250 0.500
Ge 0.618 0.618 0.236
Ge 0.382 0.382 0.764 |
Below is a description of a material. | The chemical formula is: Ti2CCl2.
The XRD pattern shows main peaks at: 10.2°(0.57), 20.6°(0.07), 32.0°(0.26), 38.4°(1.0), 41.9°(0.07), 45.2°(0.18), 53.6°(0.14), 57.1°(0.24), 63.3°(0.06), 70.9°(0.14), 73.2°(0.07), 81.7°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types... | JVASP-191325 | 3.23 3.23 8.63
90 90 120
C -0.000 0.000 0.500
Cl 0.333 0.667 0.821
Cl 0.667 0.333 0.179
Ti 0.333 0.667 0.374
Ti 0.667 0.333 0.626 |
Below is a description of a material. | The chemical formula is: ErPd2.
The XRD pattern shows main peaks at: 25.0°(0.64), 39.1°(1.0), 40.2°(0.19), 44.3°(0.19), 46.0°(0.32), 53.0°(0.16), 61.3°(0.06), 62.7°(0.1), 65.7°(0.23), 67.0°(0.11), 78.0°(0.14), 80.4°(0.27), 83.9°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and ... | JVASP-78489 | 3.95 3.95 4.95
113 113 90
Er 0.000 0.000 0.000
Pd 0.250 0.750 0.500
Pd 0.750 0.250 0.500 |
Below is a description of a material. | The chemical formula is: La2F.
The XRD pattern shows main peaks at: 24.5°(0.88), 26.7°(1.0), 36.4°(0.96), 37.9°(0.6), 45.6°(0.89), 50.2°(0.14), 54.4°(0.13), 54.9°(0.13), 57.7°(0.26), 60.5°(0.15), 61.0°(0.15), 61.6°(0.18), 62.0°(0.13), 64.5°(0.19), 67.3°(0.21), 67.6°(0.24), 77.1°(0.08), 81.0°(0.08), 83.3°(0.13), 86.1°(0... | JVASP-186684 | 3.38 3.34 7.27
90 90 90
La -0.033 -0.000 0.732
La -0.033 0.000 0.268
F 0.466 -0.000 -0.000 |
Below is a description of a material. | The chemical formula is: NdAsO4.
The XRD pattern shows main peaks at: 18.8°(0.1), 28.9°(1.0), 30.7°(0.17), 34.8°(0.21), 47.0°(0.32), 50.0°(0.13), 53.4°(0.2), 58.7°(0.29), 59.8°(0.13), 74.8°(0.08), 76.1°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-171027 | 5.16 5.16 6.88
112 112 90
Nd 0.625 0.875 0.250
Nd 0.375 0.125 0.750
As 0.125 0.375 0.250
As 0.875 0.625 0.750
O 0.294 0.436 0.094
O 0.799 0.158 0.094
O 0.936 0.299 0.594
O 0.658 0.794 0.594
O 0.706 0.564 0.906
O 0.201 0.842 0.906
O 0.064 0.701 0.406
O 0.342 0.206 0.406 |
Below is a description of a material. | The chemical formula is: UO3.
The XRD pattern shows main peaks at: 20.0°(0.13), 23.5°(0.8), 24.0°(0.41), 26.4°(1.0), 29.0°(0.21), 29.6°(0.34), 33.8°(0.3), 34.7°(0.39), 38.9°(0.12), 39.9°(0.16), 42.4°(0.17), 43.7°(0.11), 45.6°(0.12), 49.7°(0.4), 52.3°(0.19), 52.7°(0.35), 53.7°(0.12), 54.3°(0.21), 74.9°(0.12), 75.8°(0.1)... | JVASP-12393 | 5.21 5.52 7.43
90 90 90
U 0.284 0.375 0.192
U 0.784 0.125 0.808
U 0.716 0.875 0.308
U 0.216 0.625 0.692
O 0.916 0.865 0.571
O 0.416 0.635 0.429
O 0.084 0.365 0.929
O 0.584 0.135 0.071
O 0.927 0.598 0.253
O 0.427 0.902 0.747
O 0.073 0.098 0.247
O 0.573 0.402 0.753
O 0.038 0.355 0.591
O 0.538 0.145 0.409
O 0.962 0.855 0.... |
Below is a description of a material. | The chemical formula is: Tb5Si3.
The XRD pattern shows main peaks at: 20.9°(0.06), 24.2°(0.19), 25.2°(0.27), 30.5°(0.29), 32.2°(0.27), 35.2°(1.0), 36.7°(0.22), 51.7°(0.15), 53.3°(0.09), 54.3°(0.16), 56.5°(0.09), 57.9°(0.2), 67.7°(0.07), 70.4°(0.08), 85.9°(0.08).
Generate atomic structure description with lattice length... | JVASP-20289 | 8.48 8.48 6.39
90 90 119
Tb 0.244 0.000 0.250
Tb 0.756 0.000 0.750
Tb 0.244 0.244 0.750
Tb 0.000 0.244 0.250
Tb 0.756 0.756 0.250
Tb 0.000 0.756 0.750
Tb 0.333 0.667 0.500
Tb 0.667 0.333 0.000
Tb 0.667 0.333 0.500
Tb 0.333 0.667 0.000
Si 0.000 0.606 0.250
Si 0.606 0.606 0.750
Si 0.394 -0.000 0.750
Si 0.606 0.000 0.250
... |
Below is a description of a material. | The chemical formula is: YN.
The XRD pattern shows main peaks at: 29.9°(0.77), 42.8°(1.0), 53.1°(0.19), 62.1°(0.16), 70.4°(0.27), 78.3°(0.29).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-17167 | 2.99 2.99 2.99
90 90 90
Y 0.000 0.000 0.000
N 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: TiAs.
The XRD pattern shows main peaks at: 28.7°(0.39), 32.0°(0.34), 40.5°(1.0), 50.9°(0.42), 52.2°(0.07), 57.9°(0.09), 65.9°(0.08), 67.0°(0.24), 80.6°(0.19), 88.8°(0.21).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-79267 | 3.59 3.59 6.37
90 90 120
Ti 0.333 0.667 0.250
Ti 0.667 0.333 0.750
As 0.000 0.000 0.000
As 0.000 0.000 0.500 |
Below is a description of a material. | The chemical formula is: RbInBr3.
The XRD pattern shows main peaks at: 15.5°(0.36), 22.0°(0.37), 27.0°(0.44), 31.3°(1.0), 35.1°(0.09), 44.9°(0.67), 53.2°(0.09), 55.7°(0.23), 65.3°(0.11), 74.2°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-110721 | 8.08 8.08 8.08
60 60 60
Rb 0.750 0.750 0.750
Rb 0.250 0.250 0.250
In 0.500 0.500 0.500
In 0.000 0.000 0.000
Br 0.762 0.238 0.238
Br 0.238 0.238 0.762
Br 0.238 0.762 0.762
Br 0.238 0.762 0.238
Br 0.762 0.238 0.762
Br 0.762 0.762 0.238 |
Below is a description of a material. | The chemical formula is: Sn5Ge2Sb2Te10.
The XRD pattern shows main peaks at: 24.7°(0.06), 26.0°(0.07), 27.1°(0.05), 41.1°(1.0), 67.2°(0.12), 74.9°(0.17), 89.2°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-170427 | 4.39 4.39 37.23
90 86 120
Sn 0.304 0.152 0.544
Sn 0.900 0.450 0.651
Sn 0.495 0.748 0.757
Sn 0.090 0.045 0.865
Sn 0.685 0.342 0.973
Ge 0.100 0.550 0.350
Ge 0.704 0.852 0.444
Sb 0.905 0.953 0.142
Sb 0.501 0.251 0.248
Te 0.394 0.697 0.909
Te 0.203 0.101 0.696
Te 0.799 0.399 0.802
Te 0.011 0.506 0.483
Te 0.607 0.804 0.589
... |
Below is a description of a material. | The chemical formula is: CaN.
The XRD pattern shows main peaks at: 15.5°(1.0), 17.9°(0.13), 18.6°(0.97), 19.8°(0.12), 23.4°(0.17), 23.8°(0.13), 24.2°(0.34), 27.9°(0.25), 29.1°(0.19), 29.5°(0.27), 30.7°(0.24), 33.5°(0.3), 35.3°(0.29), 36.2°(0.29), 37.9°(0.13), 39.1°(0.12), 39.6°(0.11), 40.1°(0.1), 44.5°(0.12), 45.0°(0.1... | JVASP-114168 | 4.66 6.31 5.54
114 76 101
Ca 0.960 0.855 0.988
Ca 0.395 0.067 0.468
N 0.487 0.723 0.965
N 0.225 0.629 0.934 |
Below is a description of a material. | The chemical formula is: Ag2CO3.
The XRD pattern shows main peaks at: 17.8°(0.13), 18.3°(0.55), 20.1°(0.27), 29.7°(0.11), 32.2°(0.87), 33.1°(1.0), 34.9°(0.45), 36.1°(0.26), 37.3°(0.27), 39.9°(0.62), 40.8°(0.19), 45.1°(0.1), 46.1°(0.19), 50.6°(0.18), 53.0°(0.21), 55.6°(0.2), 56.7°(0.13), 58.3°(0.11), 67.1°(0.11), 70.3°(... | JVASP-9675 | 3.18 9.69 4.99
90 95 90
Ag 0.760 0.429 0.799
Ag 0.240 0.929 0.201
Ag 0.240 0.571 0.201
Ag 0.760 0.071 0.799
C 0.188 0.250 0.284
C 0.812 0.750 0.716
O 0.717 0.866 0.596
O 0.283 0.366 0.404
O 0.993 0.250 0.042
O 0.007 0.750 0.958
O 0.717 0.634 0.596
O 0.283 0.134 0.404 |
Below is a description of a material. | The chemical formula is: SmOF.
The XRD pattern shows main peaks at: 27.5°(0.3), 27.9°(1.0), 32.2°(0.37), 45.9°(0.34), 46.4°(0.37), 54.3°(0.12), 54.8°(0.29), 57.6°(0.08), 67.3°(0.09), 74.8°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-2967 | 6.88 6.88 6.88
33 33 33
Sm 0.758 0.758 0.758
Sm 0.242 0.242 0.242
O 0.878 0.878 0.878
O 0.122 0.122 0.122
F 0.370 0.370 0.370
F 0.630 0.630 0.630 |
Below is a description of a material. | The chemical formula is: KTlO.
The XRD pattern shows main peaks at: 14.8°(0.47), 17.3°(0.73), 23.6°(0.24), 25.4°(0.35), 29.1°(0.88), 29.8°(0.11), 30.6°(1.0), 32.9°(0.27), 33.3°(0.98), 35.1°(0.1), 37.1°(0.38), 37.8°(0.24), 45.7°(0.14), 47.4°(0.17), 49.9°(0.16), 50.7°(0.46), 56.1°(0.13), 58.8°(0.26), 62.9°(0.11), 63.7°(0... | JVASP-3843 | 3.66 6.28 6.68
106 105 90
K 0.130 0.346 0.260
K 0.870 0.654 0.740
Tl 0.634 0.846 0.268
Tl 0.366 0.154 0.732
O 0.751 0.221 0.501
O 0.249 0.779 0.499 |
Below is a description of a material. | The chemical formula is: KRb2GaCl6.
The XRD pattern shows main peaks at: 14.5°(0.18), 23.9°(0.93), 29.3°(0.58), 34.0°(1.0), 42.0°(0.37), 48.8°(0.59), 60.8°(0.19), 71.5°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-109897 | 7.46 7.46 7.46
60 60 60
K 0.500 0.500 0.500
Rb 0.750 0.750 0.750
Rb 0.250 0.250 0.250
Ga 0.000 0.000 0.000
Cl 0.774 0.226 0.226
Cl 0.226 0.226 0.774
Cl 0.226 0.774 0.774
Cl 0.226 0.774 0.226
Cl 0.774 0.226 0.774
Cl 0.774 0.774 0.226 |
Below is a description of a material. | The chemical formula is: K3YI6.
The XRD pattern shows main peaks at: 14.2°(0.51), 24.7°(1.0), 28.6°(0.98), 32.1°(0.24), 40.9°(0.69), 48.3°(0.41), 50.6°(0.23), 59.2°(0.11), 67.0°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-109477 | 8.83 8.83 8.83
60 60 60
K 0.750 0.750 0.750
K 0.250 0.250 0.250
K 0.500 0.500 0.500
Y 0.000 0.000 0.000
I 0.760 0.240 0.240
I 0.240 0.240 0.760
I 0.240 0.760 0.760
I 0.240 0.760 0.240
I 0.760 0.240 0.760
I 0.760 0.760 0.240 |
Below is a description of a material. | The chemical formula is: CaV2N2.
The XRD pattern shows main peaks at: 27.8°(0.22), 30.3°(1.0), 35.3°(0.29), 36.6°(0.48), 39.8°(0.34), 45.5°(0.12), 54.2°(0.45), 56.1°(0.19), 57.5°(0.21), 66.4°(0.18), 69.3°(0.14), 70.1°(0.11), 84.6°(0.1), 85.8°(0.05).
Generate atomic structure description with lattice lengths, angles, co... | JVASP-8282 | 3.20 3.20 7.63
90 90 90
Ca 0.000 0.000 0.000
V 0.500 0.500 0.339
V 0.500 0.500 0.661
N 0.500 0.000 0.783
N 0.000 0.500 0.217 |
Below is a description of a material. | The chemical formula is: HoLuZn2.
The XRD pattern shows main peaks at: 25.4°(0.18), 36.3°(1.0), 44.8°(0.06), 52.3°(0.16), 59.0°(0.07), 65.3°(0.35), 77.0°(0.1), 88.3°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-39219 | 4.95 4.95 4.95
59 59 60
Ho 0.250 0.250 0.250
Lu 0.750 0.750 0.750
Zn 1.000 0.000 1.000
Zn 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Hg3Se2F2.
The XRD pattern shows main peaks at: 21.0°(0.23), 25.7°(1.0), 33.4°(0.98), 36.7°(0.12), 39.8°(0.45), 42.7°(0.16), 45.4°(0.12), 48.0°(0.3), 55.3°(0.56), 68.2°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-116618 | 7.34 7.34 7.34
109 109 109
Hg 0.168 0.918 0.250
Hg 0.332 0.582 0.750
Hg 0.918 0.250 0.168
Hg 0.582 0.750 0.332
Hg 0.250 0.168 0.918
Hg 0.750 0.332 0.582
Se 0.910 0.910 0.910
Se 0.590 0.500 0.000
Se 0.000 0.590 0.500
Se 0.500 0.000 0.590
F 0.452 0.452 0.452
F 0.048 0.500 0.000
F 0.000 0.048 0.500
F 0.500 0.000 0.048 |
Below is a description of a material. | The chemical formula is: LaP2.
The XRD pattern shows main peaks at: 21.0°(0.93), 21.7°(0.81), 26.6°(0.18), 29.9°(1.0), 30.5°(0.68), 34.1°(0.98), 40.2°(0.54), 42.9°(0.35), 43.3°(0.23), 44.4°(0.26), 48.2°(0.29), 48.6°(0.3), 49.7°(0.18), 53.2°(0.15), 58.8°(0.18), 62.6°(0.15), 63.4°(0.17), 70.4°(0.14), 71.2°(0.12), 73.0°(0... | JVASP-139298 | 4.20 4.22 6.06
134 80 89
La 0.303 0.900 0.126
P 0.745 0.577 0.303
P 0.273 0.912 0.638 |
Below is a description of a material. | The chemical formula is: ErFe3.
The XRD pattern shows main peaks at: 20.8°(0.16), 22.2°(0.07), 33.3°(0.55), 35.8°(0.53), 36.4°(0.38), 41.8°(0.4), 42.6°(1.0), 44.4°(0.09), 45.3°(0.1), 45.9°(0.1), 46.6°(0.11), 57.8°(0.09), 62.8°(0.18), 64.4°(0.1), 66.5°(0.09), 69.1°(0.21), 76.0°(0.2).
Generate atomic structure descriptio... | JVASP-165489 | 8.51 8.51 8.51
34 34 34
Er 0.142 0.142 0.142
Er 0.000 0.000 0.000
Er 0.858 0.858 0.858
Fe 0.418 0.418 0.919
Fe 0.919 0.418 0.418
Fe 0.582 0.081 0.582
Fe 0.582 0.582 0.081
Fe 0.418 0.919 0.418
Fe 0.081 0.582 0.582
Fe 0.333 0.333 0.333
Fe 0.667 0.667 0.667
Fe 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: MnPd2Au.
The XRD pattern shows main peaks at: 24.9°(0.21), 39.3°(1.0), 41.4°(0.07), 45.0°(0.2), 45.4°(0.18), 46.6°(0.18), 65.9°(0.11), 66.8°(0.13), 79.1°(0.13), 79.7°(0.07), 81.4°(0.07), 84.4°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-80148 | 11.14 7.41 7.41
31 19 19
Mn 0.000 -0.000 -0.000
Pd 0.752 -0.001 -0.001
Pd 0.248 0.001 0.001
Au 0.500 -0.000 -0.000 |
Below is a description of a material. | The chemical formula is: PaGe2Ru2.
The XRD pattern shows main peaks at: 22.8°(0.22), 29.8°(0.12), 34.6°(0.64), 35.0°(1.0), 36.6°(0.09), 42.6°(0.56), 48.9°(0.06), 51.2°(0.21), 56.0°(0.33), 57.4°(0.1), 61.8°(0.18), 64.8°(0.17), 68.7°(0.16), 73.1°(0.24), 74.0°(0.05), 88.2°(0.1).
Generate atomic structure description with ... | JVASP-155505 | 5.76 5.76 5.76
136 136 62
Pa 0.000 0.000 0.000
Ge 0.374 0.374 0.000
Ge 0.626 0.626 -0.000
Ru 0.750 0.250 0.500
Ru 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: BaHg2Bi.
The XRD pattern shows main peaks at: 31.8°(1.0), 45.5°(0.19), 56.6°(0.42), 66.4°(0.13), 75.5°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-171301 | 5.63 5.63 5.63
60 60 60
Ba 0.250 0.250 0.250
Hg 0.000 0.000 -0.000
Hg 0.500 0.500 0.500
Bi 0.750 0.750 0.750 |
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°(0.2), 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, coord... | JVASP-152005 | 4.42 4.42 18.35
90 90 91
Nd 0.141 0.141 0.610
Nd 0.359 0.359 0.110
Nd 0.641 0.641 0.890
Nd 0.859 0.859 0.390
Sb 0.137 0.137 0.936
Sb 0.363 0.363 0.436
Sb 0.637 0.637 0.564
Sb 0.863 0.863 0.064
Sb 0.125 0.625 0.750
Sb 0.375 0.875 0.250
Sb 0.875 0.375 0.250
Sb 0.625 0.125 0.750 |
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