instruction stringclasses 1
value | input stringlengths 172 433 | id stringlengths 7 12 | output stringlengths 43 458 |
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Below is a description of a material. | The chemical formula is: BeTc2P.
The XRD pattern shows main peaks at: 16.3°(0.4), 32.9°(0.09), 34.3°(1.0), 42.9°(0.67), 45.1°(0.95), 46.2°(0.12), 50.3°(0.12), 55.1°(0.08), 62.3°(0.21), 68.2°(0.2), 73.1°(0.19), 77.0°(0.08), 80.1°(0.3), 84.0°(0.11), 84.8°(0.07).
Generate atomic structure description with lattice lengths,... | JVASP-182652 | 2.98 2.98 5.45
90 90 90
Be 0.000 0.000 0.508
Tc 0.000 -0.000 0.968
Tc 0.500 0.500 0.291
P 0.500 0.500 0.732 |
Below is a description of a material. | The chemical formula is: TbZnSn2.
The XRD pattern shows main peaks at: 27.2°(0.12), 30.3°(0.07), 34.2°(1.0), 36.5°(0.13), 41.3°(0.32), 50.1°(0.08), 50.9°(0.07), 56.3°(0.13), 59.8°(0.11), 67.5°(0.07), 70.7°(0.24), 72.1°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types... | JVASP-95297 | 4.38 4.38 9.84
90 90 90
Tb 0.750 0.750 0.248
Tb 0.250 0.250 0.752
Zn 0.750 0.250 0.000
Zn 0.250 0.750 0.000
Sn 0.750 0.750 0.816
Sn 0.250 0.250 0.184
Sn 0.750 0.250 0.500
Sn 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: HfCoB.
The XRD pattern shows main peaks at: 25.9°(0.12), 29.1°(0.55), 39.4°(1.0), 51.6°(0.31), 53.3°(0.08), 58.6°(0.08), 60.4°(0.07), 61.8°(0.13), 66.8°(0.22), 77.3°(0.17), 83.4°(0.06), 84.7°(0.06), 89.2°(0.19).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-180248 | 3.54 3.54 3.44
90 90 120
Hf 0.000 0.000 -0.000
Co 0.667 0.333 0.500
B 0.333 0.667 0.500 |
Below is a description of a material. | The chemical formula is: BeNbPt.
The XRD pattern shows main peaks at: 17.0°(0.41), 32.9°(0.8), 34.4°(0.31), 41.2°(1.0), 45.5°(0.39), 48.9°(0.12), 52.6°(0.07), 54.7°(0.06), 58.2°(0.27), 66.2°(0.13), 71.6°(0.2), 72.1°(0.12), 76.0°(0.14), 76.8°(0.12), 81.1°(0.27), 89.5°(0.07).
Generate atomic structure description with la... | JVASP-66942 | 5.58 5.58 5.58
150 150 41
Be 0.016 0.016 0.000
Nb 0.344 0.344 -0.000
Pt 0.639 0.639 -0.000 |
Below is a description of a material. | The chemical formula is: YIO.
The XRD pattern shows main peaks at: 16.6°(0.12), 26.4°(0.12), 26.9°(0.13), 28.6°(0.21), 29.8°(1.0), 32.9°(0.19), 33.6°(0.15), 34.7°(0.09), 38.7°(0.27), 45.5°(0.11), 46.4°(0.4), 56.1°(0.16), 58.5°(0.19), 61.9°(0.07), 75.7°(0.14), 80.8°(0.07), 86.1°(0.06).
Generate atomic structure descript... | JVASP-139183 | 10.92 10.92 10.92
20 20 20
Y 0.290 0.290 0.290
Y 0.710 0.710 0.710
I 0.112 0.112 0.112
I 0.888 0.888 0.888
O 0.360 0.360 0.360
O 0.640 0.640 0.640 |
Below is a description of a material. | The chemical formula is: Ce2VFeO6.
The XRD pattern shows main peaks at: 23.0°(0.18), 23.5°(0.12), 25.9°(0.23), 31.6°(0.19), 33.1°(1.0), 33.9°(0.33), 39.7°(0.07), 41.7°(0.1), 42.8°(0.07), 47.0°(0.21), 48.0°(0.18), 48.6°(0.14), 52.8°(0.19), 57.2°(0.06), 58.6°(0.09), 60.2°(0.27), 64.0°(0.1), 69.4°(0.06), 74.7°(0.05), 77.4... | JVASP-176569 | 5.28 5.67 7.58
90 90 90
Ce 0.519 0.568 0.251
Ce 0.981 0.068 0.249
Ce 0.481 0.432 0.749
Ce 0.019 0.932 0.751
V 0.500 0.000 0.500
V -0.000 0.500 0.000
Fe 0.500 0.000 0.000
Fe -0.000 0.500 0.500
O 0.411 0.979 0.251
O 0.089 0.479 0.249
O 0.589 0.021 0.749
O 0.911 0.521 0.751
O 0.808 0.798 0.046
O 0.692 0.298 0.454
O 0.193 ... |
Below is a description of a material. | The chemical formula is: BaMoIr2.
The XRD pattern shows main peaks at: 11.4°(0.59), 23.0°(0.08), 29.1°(0.11), 34.8°(0.07), 35.5°(1.0), 38.0°(0.59), 39.9°(0.13), 44.4°(0.25), 47.0°(0.05), 52.5°(0.08), 54.9°(0.4), 62.0°(0.09), 67.1°(0.32), 73.1°(0.13), 75.1°(0.05), 81.3°(0.17).
Generate atomic structure description with ... | JVASP-65334 | 3.35 3.35 7.73
90 90 90
Ba 0.500 0.500 0.767
Mo 0.000 0.000 0.400
Ir 0.000 0.000 0.066
Ir 0.500 0.500 0.267 |
Below is a description of a material. | The chemical formula is: PmNi3.
The XRD pattern shows main peaks at: 27.5°(0.32), 30.6°(0.14), 35.5°(0.23), 41.6°(1.0), 42.9°(0.21), 47.5°(0.11), 53.6°(0.06), 56.8°(0.12), 58.9°(0.06), 63.7°(0.13), 65.9°(0.08), 70.7°(0.1), 77.6°(0.14), 79.0°(0.08), 79.8°(0.14), 87.0°(0.05).
Generate atomic structure description with la... | JVASP-40953 | 5.85 5.85 4.22
90 90 119
Pm 0.333 0.667 0.250
Pm 0.667 0.333 0.750
Ni 0.140 0.860 0.750
Ni 0.721 0.860 0.750
Ni 0.140 0.279 0.750
Ni 0.860 0.140 0.250
Ni 0.279 0.140 0.250
Ni 0.860 0.721 0.250 |
Below is a description of a material. | The chemical formula is: YbGa2Ni.
The XRD pattern shows main peaks at: 23.8°(0.16), 25.7°(0.15), 31.9°(0.09), 35.3°(1.0), 35.8°(0.18), 38.2°(0.74), 40.0°(0.39), 43.5°(0.23), 44.5°(0.37), 46.2°(0.13), 52.8°(0.1), 54.0°(0.15), 58.7°(0.1), 61.4°(0.2), 64.0°(0.15), 64.5°(0.08), 67.7°(0.15), 73.3°(0.14), 76.0°(0.1), 78.9°(0... | JVASP-149920 | 5.18 5.18 6.93
90 90 133
Yb 0.065 0.935 0.750
Yb 0.935 0.065 0.250
Ga 0.352 0.648 0.946
Ga 0.648 0.352 0.446
Ga 0.352 0.648 0.554
Ga 0.648 0.352 0.054
Ni 0.786 0.214 0.750
Ni 0.214 0.786 0.250 |
Below is a description of a material. | The chemical formula is: NbTlS.
The XRD pattern shows main peaks at: 13.7°(1.0), 18.6°(0.58), 19.4°(0.24), 23.2°(0.61), 27.0°(0.22), 27.5°(0.24), 30.9°(0.25), 33.5°(0.3), 36.3°(0.34), 37.8°(0.1), 40.4°(0.13), 41.8°(0.11), 43.9°(0.12), 44.2°(0.12), 46.2°(0.18), 47.4°(0.12), 48.4°(0.18), 49.6°(0.13), 54.6°(0.15), 59.5°(0... | JVASP-121264 | 6.48 6.48 4.76
90 90 90
Nb -0.063 -0.012 0.000
Tl -0.001 0.359 0.000
S 0.330 -0.002 0.000 |
Below is a description of a material. | The chemical formula is: LiBH4.
The XRD pattern shows main peaks at: 27.1°(0.5), 31.4°(1.0), 44.9°(0.63), 55.8°(0.23), 65.4°(0.06), 74.3°(0.24), 82.9°(0.19).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-105454 | 4.04 4.04 4.04
60 60 60
Li 0.000 0.000 0.000
B 0.500 0.500 0.500
H 0.623 0.623 0.132
H 0.623 0.132 0.623
H 0.132 0.623 0.623
H 0.623 0.623 0.623 |
Below is a description of a material. | The chemical formula is: CaMgSn.
The XRD pattern shows main peaks at: 23.3°(0.22), 24.0°(1.0), 31.5°(0.81), 36.7°(0.81), 41.3°(0.35), 43.9°(0.27), 44.3°(0.18), 47.6°(0.07), 49.2°(0.2), 56.5°(0.15), 58.9°(0.18), 61.6°(0.2), 62.9°(0.21), 64.8°(0.13), 66.1°(0.14).
Generate atomic structure description with lattice lengths... | JVASP-190350 | 4.90 4.90 7.64
90 90 120
Mg 0.667 0.333 0.954
Mg 0.333 0.667 0.454
Ca 0.000 -0.000 0.744
Ca 0.000 0.000 0.244
Sn 0.667 0.333 0.537
Sn 0.333 0.667 0.037 |
Below is a description of a material. | The chemical formula is: MnNbAs.
The XRD pattern shows main peaks at: 25.8°(0.47), 42.8°(1.0), 50.7°(0.22), 62.2°(0.14), 68.5°(0.07), 78.4°(0.31).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-40781 | 4.22 4.22 4.22
60 59 60
Mn 0.500 0.500 0.500
Nb 0.250 0.250 0.250
As 1.000 1.000 1.000 |
Below is a description of a material. | The chemical formula is: YbAcZn2.
The XRD pattern shows main peaks at: 23.6°(0.26), 33.7°(1.0), 41.5°(0.08), 48.4°(0.17), 54.5°(0.12), 60.2°(0.4), 70.8°(0.12), 75.8°(0.06), 80.7°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-39872 | 5.32 5.32 5.32
60 60 60
Yb 0.750 0.750 0.750
Ac 0.250 0.250 0.250
Zn 0.000 0.000 0.000
Zn 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: ZrTaCr4.
The XRD pattern shows main peaks at: 22.0°(0.2), 25.4°(0.07), 36.3°(0.57), 42.8°(1.0), 44.8°(0.16), 65.2°(0.23), 69.7°(0.29), 77.0°(0.19), 88.2°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-101667 | 4.96 4.96 4.96
60 60 60
Zr 0.000 0.000 0.000
Ta 0.250 0.250 0.250
Cr 0.625 0.625 0.126
Cr 0.625 0.126 0.625
Cr 0.126 0.625 0.625
Cr 0.625 0.625 0.625 |
Below is a description of a material. | The chemical formula is: PrO.
The XRD pattern shows main peaks at: 30.4°(1.0), 35.2°(0.77), 50.7°(0.56), 60.3°(0.42), 63.2°(0.18), 74.5°(0.09), 82.6°(0.14), 85.2°(0.25).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-16493 | 3.60 3.60 3.60
60 60 60
Pr 0.000 0.000 0.000
O 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Na4BeTc.
The XRD pattern shows main peaks at: 19.2°(0.45), 22.3°(0.4), 31.7°(0.45), 37.3°(1.0), 39.1°(0.25), 49.7°(0.11), 51.1°(0.18), 56.4°(0.17), 60.2°(0.32), 66.2°(0.17), 69.6°(0.09), 70.8°(0.08), 75.2°(0.07), 78.5°(0.11), 79.6°(0.09).
Generate atomic structure description with lattice lengt... | JVASP-65289 | 5.65 5.65 5.65
60 60 60
Na 0.126 0.625 0.625
Na 0.625 0.625 0.625
Na 0.625 0.126 0.625
Na 0.625 0.625 0.126
Be 0.000 0.000 0.000
Tc 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: AsPd2W.
The XRD pattern shows main peaks at: 24.5°(0.06), 28.4°(0.06), 40.6°(1.0), 58.7°(0.15), 73.8°(0.3), 87.8°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-75819 | 4.45 4.45 4.45
60 60 60
As 0.500 0.500 0.500
Pd 0.000 0.000 0.000
Pd 0.250 0.250 0.250
W 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: In2SnCl6.
The XRD pattern shows main peaks at: 15.4°(0.41), 25.3°(1.0), 29.8°(0.19), 31.1°(0.54), 36.1°(0.82), 44.6°(0.46), 52.0°(0.51), 58.7°(0.19), 61.8°(0.15), 64.9°(0.18), 76.6°(0.05), 87.7°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom type... | JVASP-155321 | 7.04 7.04 7.04
60 60 60
In 0.250 0.250 0.250
In 0.750 0.750 0.750
Sn 0.000 0.000 0.000
Cl 0.752 0.752 0.248
Cl 0.752 0.248 0.248
Cl 0.248 0.752 0.248
Cl 0.248 0.752 0.752
Cl 0.248 0.248 0.752
Cl 0.752 0.248 0.752 |
Below is a description of a material. | The chemical formula is: Ag3AsS3.
The XRD pattern shows main peaks at: 27.3°(1.0), 28.9°(0.18), 32.1°(0.7), 33.6°(0.65), 36.3°(0.46), 43.7°(0.22), 47.1°(0.2), 53.4°(0.18), 60.0°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-34521 | 6.90 6.90 6.90
101 101 101
Ag 0.400 0.585 0.061
Ag 0.561 0.085 0.900
Ag 0.061 0.400 0.585
Ag 0.900 0.561 0.085
Ag 0.585 0.061 0.400
Ag 0.085 0.900 0.561
As 0.637 0.637 0.637
As 0.137 0.137 0.137
S 0.729 0.412 0.395
S 0.395 0.729 0.412
S 0.912 0.229 0.895
S 0.412 0.395 0.729
S 0.229 0.895 0.912
S 0.895 0.912 0.229 |
Below is a description of a material. | The chemical formula is: Cd3Ag.
The XRD pattern shows main peaks at: 32.8°(0.24), 37.2°(0.2), 37.9°(1.0), 50.5°(0.14), 58.6°(0.18), 71.5°(0.18), 71.9°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-101222 | 3.15 3.15 9.66
90 90 119
Cd 0.333 0.667 0.500
Cd 0.000 0.000 0.238
Cd 0.000 0.000 0.762
Ag 0.333 0.667 0.000 |
Below is a description of a material. | The chemical formula is: YbF3.
The XRD pattern shows main peaks at: 28.4°(1.0), 29.0°(0.22), 34.7°(0.29), 45.9°(0.6), 49.9°(0.24), 51.1°(0.21), 58.4°(0.26), 60.2°(0.06), 71.4°(0.08), 73.3°(0.07), 81.9°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-101033 | 4.02 4.02 4.02
125 125 80
Yb 0.000 0.000 0.000
F 0.750 0.250 0.500
F 0.250 0.750 0.500
F 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: BaPb2C2O6F2.
The XRD pattern shows main peaks at: 11.4°(0.15), 20.0°(0.24), 21.1°(0.36), 25.0°(0.68), 27.5°(1.0), 34.4°(0.83), 34.7°(0.31), 40.7°(0.19), 43.0°(0.27), 43.8°(0.21), 44.6°(0.33), 48.7°(0.05), 49.7°(0.42), 57.5°(0.08), 59.2°(0.15), 61.6°(0.15), 72.5°(0.12).
Generate atomic structure... | JVASP-57071 | 8.32 8.32 8.32
36 36 36
Ba 0.000 0.000 0.000
Pb 0.214 0.214 0.214
Pb 0.786 0.786 0.786
C 0.431 0.431 0.431
C 0.569 0.569 0.569
O 0.719 0.289 0.289
O 0.281 0.711 0.711
O 0.289 0.289 0.719
O 0.711 0.711 0.281
O 0.711 0.281 0.711
O 0.289 0.719 0.289
F 0.311 0.311 0.311
F 0.689 0.689 0.689 |
Below is a description of a material. | The chemical formula is: LaCuO3.
The XRD pattern shows main peaks at: 23.0°(0.09), 32.8°(1.0), 40.4°(0.15), 47.0°(0.34), 58.5°(0.4), 68.7°(0.19), 78.2°(0.17), 87.4°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-92758 | 3.87 3.87 3.87
90 90 90
La 0.500 0.500 0.500
Cu 0.000 0.000 0.000
O 0.500 0.000 0.000
O 0.000 0.500 0.000
O 0.000 0.000 0.500 |
Below is a description of a material. | The chemical formula is: CeNiGe.
The XRD pattern shows main peaks at: 24.5°(0.14), 34.1°(1.0), 43.2°(0.46), 47.8°(0.11), 56.1°(0.24), 66.4°(0.27), 73.3°(0.21), 79.1°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-93763 | 4.19 4.19 7.60
90 90 120
Ce 0.000 0.000 0.500
Ce 0.000 0.000 0.000
Ni 0.667 0.333 0.750
Ni 0.333 0.667 0.250
Ge 0.667 0.333 0.250
Ge 0.333 0.667 0.750 |
Below is a description of a material. | The chemical formula is: Ga2FeSe4.
The XRD pattern shows main peaks at: 27.9°(1.0), 46.1°(0.45), 46.9°(0.22), 54.0°(0.14), 55.5°(0.25), 68.5°(0.07), 74.3°(0.1), 75.5°(0.05), 84.8°(0.06), 86.6°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-94893 | 5.48 5.48 5.67
90 90 90
Ga 0.000 0.500 0.500
Ga 0.500 0.000 0.500
Fe 0.000 0.000 0.000
Se 0.737 0.737 0.233
Se 0.263 0.263 0.233
Se 0.263 0.737 0.767
Se 0.737 0.263 0.767 |
Below is a description of a material. | The chemical formula is: MgSn2O4.
The XRD pattern shows main peaks at: 16.1°(0.1), 17.2°(0.08), 19.9°(0.2), 25.4°(0.45), 27.6°(0.42), 30.8°(0.24), 32.6°(1.0), 33.3°(0.14), 46.1°(0.05), 49.5°(0.4), 50.0°(0.13), 52.1°(0.12), 53.0°(0.16), 56.9°(0.38), 58.2°(0.1), 64.5°(0.07), 65.9°(0.06), 81.9°(0.06).
Generate atomic stru... | JVASP-10023 | 6.50 6.50 6.34
60 60 65
Mg 0.125 0.625 0.625
Mg 0.625 0.125 0.625
Sn 0.012 0.012 0.988
Sn 0.238 0.238 0.262
Sn 0.625 0.625 0.125
Sn 0.625 0.625 0.625
O 0.390 0.390 0.383
O 0.412 0.807 0.391
O 0.390 0.390 0.837
O 0.807 0.412 0.391
O 0.443 0.838 0.859
O 0.838 0.443 0.859
O 0.860 0.860 0.413
O 0.860 0.860 0.867 |
Below is a description of a material. | The chemical formula is: LiAl2FeO6.
The XRD pattern shows main peaks at: 18.3°(1.0), 20.9°(0.05), 23.9°(0.08), 37.4°(0.16), 43.7°(0.18), 45.1°(0.36), 56.8°(0.06), 59.0°(0.09), 62.9°(0.09), 66.4°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-102252 | 4.90 4.90 5.19
79 79 120
Li 0.500 0.500 0.500
Al 0.669 0.331 -0.000
Al 0.331 0.669 0.000
Fe 0.000 0.000 0.000
O 0.919 0.595 0.201
O 0.743 0.743 0.801
O 0.405 0.081 0.799
O 0.595 0.919 0.201
O 0.257 0.257 0.199
O 0.081 0.405 0.799 |
Below is a description of a material. | The chemical formula is: VN2Cl6.
The XRD pattern shows main peaks at: 16.5°(0.59), 19.1°(0.78), 31.9°(0.2), 33.4°(0.95), 38.7°(1.0), 43.5°(0.31), 51.0°(0.11), 55.9°(0.57), 58.7°(0.09), 59.7°(0.14), 66.7°(0.26), 70.1°(0.19), 72.6°(0.06), 73.4°(0.06), 83.1°(0.09), 86.3°(0.08).
Generate atomic structure description with l... | JVASP-90026 | 6.58 6.58 6.58
60 60 60
V 0.000 0.000 0.000
N 0.250 0.250 0.250
N 0.750 0.750 0.750
Cl 0.757 0.243 0.243
Cl 0.757 0.243 0.757
Cl 0.757 0.757 0.243
Cl 0.243 0.757 0.757
Cl 0.243 0.757 0.243
Cl 0.243 0.243 0.757 |
Below is a description of a material. | The chemical formula is: BClO2F4.
The XRD pattern shows main peaks at: 20.9°(0.18), 21.4°(0.37), 23.4°(0.6), 25.6°(1.0), 29.7°(0.54), 34.4°(0.17), 36.4°(0.36), 37.2°(0.14), 38.4°(0.42), 38.8°(0.28), 40.9°(0.09), 42.5°(0.39), 43.4°(0.11), 45.2°(0.39), 46.4°(0.08), 49.1°(0.09), 54.2°(0.08), 58.7°(0.09), 62.4°(0.11), 65.1... | JVASP-24912 | 4.93 4.93 9.51
95 95 115
B 0.580 0.434 0.485
B 0.434 0.580 0.985
Cl 0.933 0.074 0.249
Cl 0.074 0.933 0.749
O 0.290 0.868 0.681
O 0.137 0.976 0.190
O 0.976 0.137 0.690
O 0.868 0.290 0.181
F 0.625 0.485 0.639
F 0.485 0.625 0.139
F 0.293 0.431 0.438
F 0.573 0.155 0.436
F 0.672 0.813 0.937
F 0.813 0.672 0.437
F 0.431 0.293... |
Below is a description of a material. | The chemical formula is: CaTlCd2.
The XRD pattern shows main peaks at: 12.2°(0.21), 23.3°(0.13), 24.5°(0.06), 26.4°(0.1), 33.3°(0.52), 34.1°(1.0), 35.5°(0.06), 41.8°(0.06), 44.3°(0.06), 47.7°(0.18), 50.3°(0.07), 60.0°(0.38), 61.6°(0.15), 69.8°(0.06), 71.8°(0.09), 79.6°(0.08), 80.1°(0.07).
Generate atomic structure desc... | JVASP-182704 | 3.81 3.81 7.26
90 90 90
Ca 0.500 0.500 0.619
Tl -0.000 0.000 0.893
Cd -0.000 0.000 0.356
Cd 0.500 0.500 0.142 |
Below is a description of a material. | The chemical formula is: Nb12Al3In.
The XRD pattern shows main peaks at: 24.0°(0.11), 34.2°(0.21), 38.4°(1.0), 42.2°(0.48), 61.2°(0.14), 63.9°(0.15), 66.7°(0.15), 71.9°(0.07), 84.6°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-133436 | 5.25 5.25 10.49
90 90 90
Nb 0.500 0.000 0.370
Nb 0.500 0.000 0.875
Nb 0.753 0.500 0.000
Nb 0.742 0.500 0.500
Nb 0.000 0.746 0.243
Nb 0.000 0.746 0.757
Nb 0.500 0.000 0.125
Nb 0.500 0.000 0.630
Nb 0.247 0.500 0.000
Nb 0.258 0.500 0.500
Nb 0.000 0.254 0.243
Nb 0.000 0.254 0.757
Al 0.500 0.500 0.250
Al 0.500 0.500 0.750
A... |
Below is a description of a material. | The chemical formula is: Sr2PrNbO6.
The XRD pattern shows main peaks at: 20.6°(0.08), 29.3°(1.0), 41.9°(0.33), 51.9°(0.38), 60.7°(0.18), 68.8°(0.16), 76.5°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-101049 | 6.10 6.10 6.10
60 60 60
Sr 0.250 0.250 0.250
Sr 0.750 0.750 0.750
Pr 0.500 0.500 0.500
Nb 0.000 0.000 0.000
O 0.768 0.232 0.232
O 0.232 0.768 0.768
O 0.232 0.768 0.232
O 0.768 0.232 0.768
O 0.232 0.232 0.768
O 0.768 0.768 0.232 |
Below is a description of a material. | The chemical formula is: BW2.
The XRD pattern shows main peaks at: 22.5°(0.09), 32.1°(0.22), 37.4°(0.28), 40.7°(1.0), 50.1°(0.15), 51.8°(0.11), 69.7°(0.21), 71.7°(0.08), 72.5°(0.21), 83.8°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-20084 | 4.62 4.62 4.62
105 105 117
B 0.750 0.750 0.000
B 0.250 0.250 0.000
W 0.830 0.670 0.500
W 0.330 0.830 0.159
W 0.170 0.330 0.500
W 0.670 0.170 0.841 |
Below is a description of a material. | The chemical formula is: CeMg2.
The XRD pattern shows main peaks at: 10.3°(1.0), 20.7°(0.24), 33.1°(0.15), 33.5°(0.34), 34.7°(0.09), 36.7°(0.7), 39.4°(0.07), 42.5°(0.13), 59.1°(0.11), 60.1°(0.07), 63.3°(0.08), 71.6°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-93721 | 3.13 3.13 17.13
90 90 120
Ce 0.333 0.667 0.750
Ce 0.667 0.333 0.250
Mg 0.667 0.333 0.922
Mg 0.667 0.333 0.578
Mg 0.333 0.667 0.422
Mg 0.333 0.667 0.078 |
Below is a description of a material. | The chemical formula is: Zr2SbC.
The XRD pattern shows main peaks at: 29.8°(0.23), 35.6°(1.0), 52.9°(0.22), 65.4°(0.16), 88.9°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-187925 | 3.46 3.46 13.99
90 90 120
Sb 0.333 0.667 0.750
Sb 0.667 0.333 0.250
C -0.000 0.000 0.500
C -0.000 0.000 -0.000
Zr 0.667 0.333 0.587
Zr 0.333 0.667 0.087
Zr 0.333 0.667 0.413
Zr 0.667 0.333 0.913 |
Below is a description of a material. | The chemical formula is: CaAcGa.
The XRD pattern shows main peaks at: 20.5°(0.73), 23.7°(0.37), 33.8°(1.0), 39.9°(0.42), 41.7°(0.11), 48.6°(0.18), 53.3°(0.18), 54.8°(0.15), 60.5°(0.38), 64.6°(0.15), 71.1°(0.11), 74.9°(0.14), 76.2°(0.08), 81.1°(0.16), 84.8°(0.05).
Generate atomic structure description with lattice lengt... | JVASP-156462 | 5.30 5.30 5.30
60 60 60
Ca 0.750 0.750 0.750
Ac 0.250 0.250 0.250
Ga 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: YRhW2.
The XRD pattern shows main peaks at: 27.4°(0.12), 39.1°(1.0), 56.5°(0.16), 70.9°(0.36), 84.1°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-51217 | 4.60 4.60 4.60
60 60 60
Y 0.500 0.500 0.500
Rh 0.000 0.000 0.000
W 0.750 0.750 0.750
W 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: Mn2OF3.
The XRD pattern shows main peaks at: 25.9°(0.86), 27.1°(0.82), 34.0°(1.0), 37.8°(0.1), 38.6°(0.2), 39.5°(0.23), 43.6°(0.09), 51.0°(0.58), 52.4°(0.42), 53.1°(0.19), 55.8°(0.13), 58.3°(0.18), 60.6°(0.09), 64.9°(0.11), 65.8°(0.36), 82.8°(0.08).
Generate atomic structure description with la... | JVASP-42387 | 5.72 5.72 5.72
70 105 67
Mn 0.750 0.750 0.500
Mn 0.250 0.250 0.500
Mn -0.000 0.962 0.038
Mn 0.500 0.538 0.962
O 0.500 0.831 0.669
O -0.000 0.669 0.331
F 0.549 0.250 0.799
F 0.049 0.750 0.799
F -0.000 0.275 0.725
F 0.500 0.225 0.275
F 0.451 0.750 0.201
F 0.951 0.250 0.201 |
Below is a description of a material. | The chemical formula is: KCr2Fe3O14.
The XRD pattern shows main peaks at: 14.3°(0.2), 15.7°(0.28), 17.7°(0.77), 26.0°(0.12), 28.8°(0.24), 29.8°(1.0), 30.5°(0.5), 31.7°(0.1), 35.9°(0.12), 37.1°(0.31), 43.8°(0.14), 48.4°(0.24), 53.6°(0.34), 58.6°(0.27).
Generate atomic structure description with lattice lengths, angles, ... | JVASP-146983 | 7.35 7.35 7.35
55 55 55
K 0.000 0.000 0.000
Cr 0.700 0.700 0.700
Cr 0.300 0.300 0.300
Fe 0.000 0.500 0.000
Fe 0.000 -0.000 0.500
Fe 0.500 0.000 0.000
O 0.276 0.901 0.276
O 0.099 0.724 0.724
O 0.724 0.724 0.099
O 0.724 0.099 0.724
O 0.536 0.134 0.134
O 0.134 0.134 0.536
O 0.866 0.866 0.464
O 0.464 0.866 0.866
O 0.276 0.... |
Below is a description of a material. | The chemical formula is: RbSbBrF3.
The XRD pattern shows main peaks at: 13.2°(0.39), 22.1°(0.19), 23.7°(0.29), 24.0°(0.18), 24.4°(0.29), 26.3°(0.59), 27.0°(0.91), 28.5°(1.0), 30.4°(0.87), 32.6°(0.35), 34.3°(0.13), 38.8°(0.31), 39.2°(0.18), 40.4°(0.26), 41.2°(0.3), 47.4°(0.23), 47.9°(0.12), 51.1°(0.17), 52.4°(0.15), 54.... | JVASP-26635 | 4.42 7.63 8.96
110 100 103
Rb 0.983 0.306 0.649
Rb 0.017 0.694 0.351
Sb 0.306 0.159 0.208
Sb 0.694 0.841 0.792
Br 0.430 0.761 0.065
Br 0.570 0.239 0.935
F 0.598 0.550 0.678
F 0.696 0.886 0.583
F 0.304 0.114 0.417
F 0.402 0.450 0.322
F 0.211 0.763 0.698
F 0.789 0.237 0.302 |
Below is a description of a material. | The chemical formula is: SrZn2P2.
The XRD pattern shows main peaks at: 28.0°(1.0), 35.7°(0.63), 38.0°(0.17), 44.0°(0.57), 46.0°(0.18), 53.0°(0.15), 57.9°(0.23), 59.5°(0.27), 71.3°(0.14), 75.5°(0.15), 80.9°(0.09), 82.3°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types... | JVASP-2751 | 4.12 4.12 7.11
90 90 120
Sr 0.000 0.000 0.000
Zn 0.667 0.333 0.632
Zn 0.333 0.667 0.368
P 0.667 0.333 0.273
P 0.333 0.667 0.727 |
Below is a description of a material. | The chemical formula is: Cu2P2O7.
The XRD pattern shows main peaks at: 17.3°(0.08), 20.5°(0.16), 28.0°(1.0), 30.0°(0.86), 30.4°(0.39), 35.0°(0.22), 35.6°(0.23), 40.9°(0.11), 41.5°(0.12), 42.7°(0.08), 43.8°(0.2), 45.7°(0.09), 47.3°(0.19), 52.0°(0.18), 53.6°(0.12), 57.8°(0.08), 58.5°(0.08), 59.8°(0.2), 64.0°(0.08), 70.9°... | JVASP-58387 | 4.60 5.39 5.39
99 102 102
Cu 0.500 0.312 0.688
Cu 0.500 0.688 0.312
P 0.908 0.199 0.199
P 0.092 0.801 0.801
O 0.273 0.952 0.643
O 0.727 0.357 0.048
O 0.727 0.048 0.357
O 0.273 0.643 0.952
O 0.000 0.000 0.000
O 0.780 0.620 0.620
O 0.220 0.380 0.380 |
Below is a description of a material. | The chemical formula is: Ti2CoRe.
The XRD pattern shows main peaks at: 25.3°(0.34), 29.3°(0.28), 41.9°(1.0), 49.6°(0.17), 52.0°(0.08), 60.8°(0.17), 67.0°(0.07), 68.9°(0.1), 76.6°(0.34), 82.2°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-79829 | 4.31 4.31 4.31
59 59 60
Ti -0.000 1.000 1.000
Ti 0.500 0.500 0.500
Co 0.250 0.250 0.250
Re 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: NaNdTiO4.
The XRD pattern shows main peaks at: 6.7°(1.0), 27.5°(0.43), 31.5°(0.47), 33.9°(0.34), 34.6°(0.09), 44.0°(0.15), 48.7°(0.2), 56.8°(0.13), 59.2°(0.15), 81.4°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-12350 | 3.74 3.74 13.11
90 90 90
Na 0.000 0.500 0.583
Na 0.500 0.000 0.417
Nd 0.500 0.000 0.108
Nd 0.000 0.500 0.892
Ti 0.000 0.500 0.273
Ti 0.500 0.000 0.727
O 0.500 0.000 0.930
O 0.000 0.500 0.070
O 0.500 0.000 0.593
O 0.000 0.500 0.407
O 0.500 0.500 0.235
O 0.000 0.000 0.235
O 0.500 0.500 0.765
O 0.000 0.000 0.765 |
Below is a description of a material. | The chemical formula is: HfZnO2.
The XRD pattern shows main peaks at: 15.5°(0.44), 31.2°(0.38), 35.3°(0.21), 36.4°(0.73), 40.9°(1.0), 44.0°(0.13), 55.8°(0.36), 62.5°(0.27), 65.3°(0.2), 71.6°(0.22), 74.6°(0.11), 77.4°(0.14), 88.6°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and ... | JVASP-121108 | 5.98 5.98 5.98
28 28 28
Hf 0.500 0.500 0.500
Zn 0.000 0.000 0.000
O 0.259 0.259 0.259
O 0.741 0.741 0.741 |
Below is a description of a material. | The chemical formula is: KVF3.
The XRD pattern shows main peaks at: 21.4°(0.2), 30.5°(1.0), 37.6°(0.18), 43.7°(0.76), 49.2°(0.08), 54.2°(0.34), 63.5°(0.41), 72.1°(0.14), 80.3°(0.12), 88.2°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-25743 | 4.14 4.14 4.14
90 90 90
K 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: HfCoP.
The XRD pattern shows main peaks at: 25.7°(0.06), 27.2°(0.39), 37.7°(1.0), 48.0°(0.37), 52.8°(0.09), 55.2°(0.05), 56.0°(0.06), 60.3°(0.09), 62.6°(0.23), 74.1°(0.2), 82.6°(0.21).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-182857 | 3.79 3.79 3.47
90 90 119
Hf 0.000 0.000 0.000
Co 0.333 0.667 0.500
P 0.667 0.333 0.500 |
Below is a description of a material. | The chemical formula is: Hg2GeSe4.
The XRD pattern shows main peaks at: 17.2°(0.25), 26.8°(1.0), 28.1°(0.24), 35.5°(0.27), 44.2°(0.19), 44.6°(0.45), 47.8°(0.1), 52.5°(0.27), 53.1°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-2217 | 5.79 5.79 7.02
114 114 90
Hg 0.500 0.500 -0.000
Hg 0.250 0.750 0.500
Ge 0.750 0.250 0.500
Se 0.072 0.647 0.766
Se 0.881 0.928 0.234
Se 0.695 0.119 0.766
Se 0.353 0.305 0.234 |
Below is a description of a material. | The chemical formula is: BiRh3.
The XRD pattern shows main peaks at: 22.0°(0.11), 31.3°(0.1), 38.6°(1.0), 44.9°(0.47), 50.5°(0.06), 65.3°(0.31), 78.5°(0.37), 82.8°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-126547 | 4.04 4.04 4.04
90 90 90
Bi 0.000 0.500 0.000
Rh 0.000 0.000 0.500
Rh 0.500 0.500 0.500
Rh 0.500 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Ce3Zn11.
The XRD pattern shows main peaks at: 22.2°(0.07), 28.2°(0.11), 33.9°(0.24), 35.0°(1.0), 36.7°(0.33), 39.2°(0.26), 40.0°(0.42), 40.7°(0.17), 46.6°(0.12), 53.4°(0.13), 55.5°(0.1), 58.4°(0.12), 68.7°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates an... | JVASP-176889 | 4.51 8.27 8.27
106 105 105
Ce -0.000 -0.000 -0.000
Ce 0.000 0.707 0.293
Ce 0.000 0.293 0.707
Zn 0.358 0.704 0.013
Zn 0.285 0.429 0.142
Zn 0.642 0.987 0.296
Zn 0.821 0.321 0.321
Zn 0.285 0.142 0.429
Zn 0.500 0.500 0.500
Zn 0.715 0.858 0.571
Zn 0.179 0.679 0.679
Zn 0.358 0.013 0.704
Zn 0.715 0.571 0.858
Zn 0.642 0.296 0.... |
Below is a description of a material. | The chemical formula is: TaBe2Sn.
The XRD pattern shows main peaks at: 20.3°(0.15), 26.2°(1.0), 29.5°(0.7), 31.3°(0.65), 39.8°(0.78), 41.2°(0.65), 43.5°(0.62), 51.5°(0.66), 53.9°(0.17), 61.1°(0.11), 62.6°(0.19), 63.6°(0.16), 65.3°(0.1), 67.7°(0.14), 70.3°(0.13), 71.6°(0.37), 73.2°(0.12), 76.4°(0.24), 79.3°(0.22), 85.9°... | JVASP-67784 | 4.44 4.44 3.03
90 90 99
Ta 0.000 0.500 0.500
Be 0.000 0.000 0.000
Be 0.500 0.500 0.000
Sn 0.500 0.000 0.500 |
Below is a description of a material. | The chemical formula is: Li2TiSiO5.
The XRD pattern shows main peaks at: 19.4°(0.08), 20.2°(0.62), 24.4°(0.4), 27.5°(1.0), 34.4°(0.72), 37.1°(0.12), 39.3°(0.1), 43.4°(0.25), 44.2°(0.16), 44.6°(0.11), 46.8°(0.22), 52.2°(0.12), 56.8°(0.29), 58.1°(0.2), 60.0°(0.12), 60.9°(0.08), 64.3°(0.09), 68.1°(0.17), 72.2°(0.16), 87.3... | JVASP-9783 | 6.48 6.48 4.40
90 90 90
Li 0.250 0.750 0.500
Li 0.750 0.250 0.500
Li 0.750 0.750 0.500
Li 0.250 0.250 0.500
Ti 0.000 0.500 0.900
Ti 0.500 0.000 0.100
Si 0.000 0.000 0.000
Si 0.500 0.500 0.000
O 0.795 0.000 0.220
O 0.500 0.705 0.220
O 0.500 0.295 0.220
O 0.205 0.000 0.220
O 0.000 0.500 0.293
O 0.000 0.795 0.780
O 0.500 ... |
Below is a description of a material. | The chemical formula is: Li8Sn.
The XRD pattern shows main peaks at: 4.1°(1.0), 8.2°(0.23), 12.2°(0.1), 16.3°(0.05), 32.7°(0.07), 33.5°(0.06), 34.8°(0.05), 36.6°(0.06), 38.7°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-130717 | 3.18 3.18 21.69
90 90 120
Li 0.000 0.000 0.215
Li 0.000 0.000 0.008
Li 0.333 0.667 0.443
Li 0.667 0.333 0.555
Li 0.667 0.333 0.330
Li 0.000 0.000 0.779
Li 0.333 0.667 0.892
Li 0.333 0.667 0.667
Sn 0.667 0.333 0.112 |
Below is a description of a material. | The chemical formula is: K2LiCuF6.
The XRD pattern shows main peaks at: 19.3°(0.82), 22.4°(0.1), 31.9°(1.0), 37.5°(0.38), 39.3°(0.43), 45.7°(0.97), 56.8°(0.36), 66.6°(0.51), 84.5°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-171452 | 5.62 5.62 5.62
60 60 59
K 0.750 0.750 0.750
K 0.250 0.250 0.250
Li 0.500 0.500 0.500
Cu 0.000 0.000 -0.000
F 0.757 0.757 0.243
F 0.243 0.243 0.757
F 0.757 0.243 0.757
F 0.243 0.757 0.243
F 0.243 0.757 0.757
F 0.757 0.243 0.243 |
Below is a description of a material. | The chemical formula is: Sc2InS.
The XRD pattern shows main peaks at: 11.5°(0.21), 23.2°(0.13), 29.3°(0.34), 30.0°(0.31), 33.0°(0.51), 35.1°(1.0), 40.1°(0.33), 43.0°(0.12), 47.4°(0.08), 49.4°(0.11), 51.4°(0.38), 60.3°(0.1), 63.7°(0.31), 72.5°(0.12).
Generate atomic structure description with lattice lengths, angles, co... | JVASP-194920 | 3.56 3.56 7.95
77 77 59
Sc 0.065 0.065 0.805
Sc 0.268 0.268 0.196
In 0.500 0.500 0.501
S 0.667 0.667 0.998 |
Below is a description of a material. | The chemical formula is: PrP2Rh2.
The XRD pattern shows main peaks at: 23.1°(0.1), 28.2°(0.09), 30.1°(0.21), 31.5°(0.39), 35.2°(0.87), 35.5°(1.0), 37.4°(0.06), 43.0°(0.64), 48.7°(0.08), 52.3°(0.22), 56.8°(0.43), 58.3°(0.07), 62.5°(0.23), 70.0°(0.16), 71.7°(0.07), 74.0°(0.25), 89.5°(0.12).
Generate atomic structure desc... | JVASP-151485 | 4.20 4.20 9.61
90 90 90
Pr 0.250 0.250 0.742
Pr 0.750 0.750 0.258
P 0.750 0.250 0.500
P 0.250 0.750 0.500
P 0.250 0.250 0.137
P 0.750 0.750 0.863
Rh 0.750 0.250 0.000
Rh 0.250 0.750 0.000
Rh 0.250 0.250 0.388
Rh 0.750 0.750 0.612 |
Below is a description of a material. | The chemical formula is: LiBeP2.
The XRD pattern shows main peaks at: 15.3°(0.53), 30.9°(0.22), 31.9°(1.0), 39.7°(0.62), 42.1°(0.46), 42.8°(0.12), 47.2°(0.13), 51.2°(0.2), 57.4°(0.19), 63.3°(0.21), 66.7°(0.09), 67.2°(0.2), 71.6°(0.11), 73.7°(0.17), 77.4°(0.13), 85.6°(0.07).
Generate atomic structure description with la... | JVASP-70768 | 3.21 3.21 5.78
90 90 90
Li 0.500 0.500 0.792
Be 0.000 0.000 0.361
P 0.000 0.000 -0.005
P 0.500 0.500 0.352 |
Below is a description of a material. | The chemical formula is: Ba3Nb2CoO9.
The XRD pattern shows main peaks at: 30.7°(1.0), 37.8°(0.08), 44.0°(0.3), 54.6°(0.35), 63.9°(0.16), 72.6°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-137295 | 5.82 5.82 7.15
90 89 120
Ba 0.000 -0.000 -0.000
Ba 0.333 0.667 0.664
Ba 0.667 0.333 0.336
Nb 0.333 0.667 0.179
Nb 0.667 0.333 0.821
Co 0.000 0.000 0.500
O 0.500 0.500 -0.000
O 0.500 -0.000 0.000
O 0.000 0.500 0.000
O 0.170 0.830 0.328
O 0.170 0.339 0.328
O 0.661 0.830 0.328
O 0.830 0.170 0.672
O 0.830 0.661 0.672
O 0.3... |
Below is a description of a material. | The chemical formula is: AlV2C.
The XRD pattern shows main peaks at: 13.5°(0.29), 35.5°(0.18), 36.2°(0.06), 41.3°(1.0), 63.8°(0.2), 78.9°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-35598 | 2.92 2.92 13.13
90 90 119
Al 0.333 0.667 0.250
Al 0.667 0.333 0.750
V 0.333 0.667 0.586
V 0.667 0.333 0.414
V 0.667 0.333 0.086
V 0.333 0.667 0.914
C 0.000 0.000 0.000
C 0.000 0.000 0.500 |
Below is a description of a material. | The chemical formula is: NdSi2Ru2.
The XRD pattern shows main peaks at: 18.1°(0.06), 22.9°(0.3), 34.7°(0.32), 35.1°(1.0), 36.6°(0.18), 42.8°(0.4), 51.3°(0.09), 56.2°(0.16), 57.5°(0.18), 62.1°(0.13), 65.0°(0.2), 73.4°(0.23), 74.3°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-15301 | 4.23 4.23 5.75
111 111 89
Nd 0.000 0.000 0.000
Si 0.635 0.635 0.271
Si 0.365 0.365 0.729
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: CaAlS2.
The XRD pattern shows main peaks at: 27.5°(0.18), 31.0°(0.8), 39.7°(1.0), 48.7°(0.5), 51.6°(0.08), 58.1°(0.06), 58.8°(0.1), 64.6°(0.23), 65.4°(0.09), 66.7°(0.06), 79.1°(0.15), 84.9°(0.21).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-118371 | 3.74 3.74 6.35
90 90 120
Ca 0.000 0.000 0.500
Al 0.000 0.000 0.000
S 0.333 0.667 0.786
S 0.667 0.333 0.214 |
Below is a description of a material. | The chemical formula is: InSb5.
The XRD pattern shows main peaks at: 28.7°(1.0), 41.1°(0.62), 50.9°(0.19), 59.5°(0.12), 67.5°(0.15), 74.9°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-124662 | 4.39 4.39 10.80
90 90 120
In 0.000 0.000 0.250
Sb 0.667 0.333 0.085
Sb 0.667 0.333 0.581
Sb 0.333 0.667 0.415
Sb 0.333 0.667 0.919
Sb 0.000 0.000 0.750 |
Below is a description of a material. | The chemical formula is: NbCo2RuH.
The XRD pattern shows main peaks at: 23.1°(0.06), 41.4°(1.0), 47.3°(0.17), 48.6°(0.3), 70.2°(0.18), 71.2°(0.09), 83.9°(0.11), 85.9°(0.21).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-191238 | 3.74 3.74 3.84
90 90 90
Ru 0.000 0.000 0.500
Nb 0.500 0.500 0.500
Co 0.000 0.500 -0.000
Co 0.500 0.000 0.000
H 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: SrLi2Ga2.
The XRD pattern shows main peaks at: 18.8°(0.11), 26.3°(1.0), 32.5°(0.19), 34.1°(0.82), 37.5°(0.48), 42.3°(0.05), 51.6°(0.49), 52.1°(0.19), 54.1°(0.16), 61.1°(0.19), 65.5°(0.16), 65.9°(0.17), 78.0°(0.14), 87.6°(0.06).
Generate atomic structure description with lattice lengths, angles,... | JVASP-155694 | 5.81 5.81 5.81
131 131 71
Sr 0.000 0.000 0.000
Li 0.750 0.250 0.500
Li 0.250 0.750 0.500
Ga 0.371 0.371 -0.000
Ga 0.629 0.629 0.000 |
Below is a description of a material. | The chemical formula is: ZrBr.
The XRD pattern shows main peaks at: 9.4°(0.21), 18.8°(0.1), 29.4°(0.08), 29.9°(0.18), 33.4°(1.0), 36.9°(0.25), 38.2°(0.12), 43.6°(0.36), 48.3°(0.07), 51.9°(0.31), 63.1°(0.16), 66.2°(0.13), 70.1°(0.09), 86.0°(0.14).
Generate atomic structure description with lattice lengths, angles, coord... | JVASP-176057 | 3.52 3.52 9.64
79 79 60
Zr 0.708 0.708 0.376
Zr 0.292 0.292 0.624
Br 0.109 0.109 0.174
Br 0.891 0.891 0.826 |
Below is a description of a material. | The chemical formula is: YAg2.
The XRD pattern shows main peaks at: 33.9°(0.63), 38.0°(1.0), 48.8°(0.23), 60.5°(0.06), 63.5°(0.39), 71.3°(0.15), 81.4°(0.13), 83.9°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-37186 | 3.73 3.73 5.29
110 110 90
Y 0.000 0.000 0.000
Ag 0.669 0.669 0.338
Ag 0.331 0.331 0.662 |
Below is a description of a material. | The chemical formula is: NiSb5.
The XRD pattern shows main peaks at: 26.4°(0.09), 30.3°(1.0), 35.9°(0.21), 42.6°(0.28), 44.0°(0.45), 54.3°(0.2), 58.0°(0.06), 63.0°(0.18), 72.4°(0.17), 79.9°(0.08), 80.9°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-132782 | 4.12 4.12 10.56
90 90 120
Ni 0.000 0.000 0.250
Sb 0.667 0.333 0.135
Sb 0.667 0.333 0.568
Sb 0.333 0.667 0.365
Sb 0.333 0.667 0.932
Sb 0.000 0.000 0.750 |
Below is a description of a material. | The chemical formula is: CuNiTe.
The XRD pattern shows main peaks at: 26.2°(0.32), 30.3°(0.33), 43.5°(1.0), 51.5°(0.13), 53.9°(0.09), 63.1°(0.16), 69.6°(0.06), 71.6°(0.11), 79.8°(0.32).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-161068 | 4.17 4.17 4.17
60 60 60
Cu 0.250 0.250 0.250
Ni 0.000 0.000 0.000
Te 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: LaCl3.
The XRD pattern shows main peaks at: 15.8°(0.76), 20.8°(1.0), 26.3°(0.36), 32.0°(0.15), 36.4°(0.65), 38.5°(0.55), 40.0°(0.3), 42.3°(0.13), 45.4°(0.11), 49.3°(0.17), 54.0°(0.18), 65.6°(0.08), 66.5°(0.08), 67.0°(0.13).
Generate atomic structure description with lattice lengths, angles, coo... | JVASP-135283 | 7.45 4.94 4.92
60 70 48
La 0.114 0.784 0.952
Cl 0.614 0.283 0.953
Cl 0.256 -0.024 0.285
Cl 0.973 0.590 0.620 |
Below is a description of a material. | The chemical formula is: CaVSiO5.
The XRD pattern shows main peaks at: 17.9°(0.26), 27.8°(1.0), 29.8°(0.72), 34.3°(0.72), 34.8°(0.47), 39.5°(0.16), 40.2°(0.11), 42.8°(0.1), 43.9°(0.3), 50.7°(0.1), 53.0°(0.26), 53.9°(0.21), 55.8°(0.29), 59.4°(0.16), 60.5°(0.09), 62.6°(0.21), 66.1°(0.14), 66.7°(0.09), 69.8°(0.11), 74.9°(... | JVASP-173760 | 5.45 5.45 6.98
104 104 106
Ca 0.670 0.330 0.750
Ca 0.330 0.670 0.250
V 0.000 0.000 0.000
V 0.000 0.000 0.500
Si 0.318 0.682 0.750
Si 0.682 0.318 0.250
O 0.938 0.062 0.750
O 0.062 0.938 0.250
O 0.622 0.751 0.913
O 0.378 0.249 0.087
O 0.249 0.378 0.587
O 0.751 0.622 0.413
O 0.315 0.891 0.614
O 0.685 0.109 0.386
O 0.109 0... |
Below is a description of a material. | The chemical formula is: ZrTaB4.
The XRD pattern shows main peaks at: 12.8°(0.26), 25.8°(0.42), 33.1°(0.75), 35.6°(0.14), 42.4°(1.0), 53.0°(0.09), 59.1°(0.19), 63.9°(0.22), 65.5°(0.2), 69.4°(0.09), 75.4°(0.17), 83.4°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-178253 | 3.13 3.13 6.91
90 90 120
Zr 1.000 0.000 0.500
Ta 1.000 0.000 -0.000
B 0.333 0.667 0.241
B 0.333 0.667 0.759
B 0.667 0.333 0.241
B 0.667 0.333 0.759 |
Below is a description of a material. | The chemical formula is: SrMgAs.
The XRD pattern shows main peaks at: 9.9°(0.44), 20.0°(0.12), 27.1°(1.0), 29.0°(0.17), 30.2°(0.34), 33.9°(0.13), 38.8°(0.39), 40.1°(0.07), 41.0°(0.65), 44.0°(0.06), 49.9°(0.36), 56.0°(0.14), 63.3°(0.19), 64.9°(0.16), 71.7°(0.24).
Generate atomic structure description with lattice length... | JVASP-139690 | 3.29 3.29 8.89
90 90 90
Sr 0.000 0.000 -0.066
Mg 0.000 0.000 0.557
As 0.000 0.000 0.266 |
Below is a description of a material. | The chemical formula is: Al3FeSi2.
The XRD pattern shows main peaks at: 18.6°(0.53), 20.6°(0.54), 29.4°(0.21), 34.3°(0.69), 42.0°(0.36), 43.5°(0.83), 43.8°(0.74), 47.2°(1.0), 48.6°(0.64), 69.0°(0.19), 74.0°(0.29), 77.8°(0.31).
Generate atomic structure description with lattice lengths, angles, coordinates and atom type... | JVASP-147077 | 6.42 6.42 6.42
123 123 84
Al 0.498 0.498 0.000
Al 0.998 0.998 0.000
Al 0.484 0.306 0.500
Al 0.806 0.984 0.500
Al 0.984 0.484 0.179
Al 0.306 0.806 0.821
Fe 0.753 0.753 -0.000
Fe 0.253 0.253 -0.000
Si 0.500 0.708 0.500
Si 0.208 0.000 0.500
Si 0.000 0.500 0.792
Si 0.708 0.208 0.208 |
Below is a description of a material. | The chemical formula is: MgInBr3.
The XRD pattern shows main peaks at: 19.8°(0.06), 28.5°(0.06), 29.0°(0.06), 30.0°(1.0), 30.7°(0.38), 31.7°(0.26), 33.9°(0.16), 37.0°(0.13), 43.7°(0.12), 45.7°(0.15), 54.2°(0.05), 56.1°(0.13), 74.8°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates a... | JVASP-32302 | 3.97 9.43 15.31
90 90 90
Mg 0.250 0.662 0.055
Mg 0.750 0.338 0.945
Mg 0.250 0.162 0.445
Mg 0.750 0.838 0.555
In 0.750 0.046 0.176
In 0.250 0.954 0.824
In 0.250 0.454 0.676
In 0.750 0.546 0.324
Br 0.750 0.327 0.503
Br 0.750 0.476 0.101
Br 0.750 0.827 0.997
Br 0.250 0.173 0.003
Br 0.750 0.724 0.711
Br 0.250 0.276 0.289
B... |
Below is a description of a material. | The chemical formula is: NbCr3Ag2S8.
The XRD pattern shows main peaks at: 24.4°(0.71), 28.8°(1.0), 34.9°(0.19), 42.9°(0.15), 43.6°(0.1), 45.8°(0.36), 50.0°(0.6), 50.4°(0.2), 50.8°(0.35), 73.7°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-122237 | 7.20 7.20 7.24
60 60 60
Nb 0.657 0.343 0.500
Cr 0.614 0.386 0.000
Cr 0.618 0.885 0.503
Cr 0.115 0.382 0.497
Ag 0.007 0.733 0.877
Ag 0.267 0.993 0.123
S 0.385 0.146 0.268
S 0.847 0.137 0.245
S 0.372 0.147 0.711
S 0.381 0.583 0.267
S 0.854 0.615 0.732
S 0.863 0.153 0.755
S 0.853 0.628 0.289
S 0.417 0.619 0.733 |
Below is a description of a material. | The chemical formula is: TmTh3.
The XRD pattern shows main peaks at: 30.7°(1.0), 35.6°(0.5), 51.2°(0.38), 60.9°(0.42), 63.9°(0.13), 75.3°(0.06), 83.5°(0.18), 86.1°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-37509 | 5.05 5.05 5.05
90 90 90
Tm 0.000 0.000 0.000
Th 0.500 0.500 0.000
Th 0.500 0.000 0.500
Th 0.000 0.500 0.500 |
Below is a description of a material. | The chemical formula is: TlIn2Ga2.
The XRD pattern shows main peaks at: 20.4°(0.08), 29.6°(0.35), 30.2°(0.11), 30.9°(1.0), 38.4°(0.44), 42.8°(0.23), 49.2°(0.17), 49.6°(0.11), 54.1°(0.11), 55.4°(0.13), 58.8°(0.17), 64.8°(0.22), 76.1°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates ... | JVASP-155756 | 4.69 4.69 6.78
110 110 90
Tl 0.000 0.000 0.000
In 0.750 0.250 0.500
In 0.250 0.750 0.500
Ga 0.606 0.606 0.212
Ga 0.394 0.394 0.788 |
Below is a description of a material. | The chemical formula is: TbInPt.
The XRD pattern shows main peaks at: 23.2°(0.15), 26.6°(0.11), 32.8°(0.8), 35.6°(1.0), 40.8°(0.53), 42.9°(0.39), 46.7°(0.24), 47.5°(0.08), 49.5°(0.09), 55.2°(0.1), 60.2°(0.14), 63.7°(0.26), 64.3°(0.09), 65.9°(0.36), 68.8°(0.06), 70.5°(0.06), 75.7°(0.12), 77.8°(0.07), 79.4°(0.1), 83.2°(0... | JVASP-56795 | 7.66 7.66 3.89
90 90 119
Tb 0.406 -0.000 0.000
Tb -0.000 0.406 0.000
Tb 0.594 0.594 0.000
In 0.261 0.261 0.500
In 0.000 0.739 0.500
In 0.739 0.000 0.500
Pt 0.000 0.000 0.000
Pt 0.667 0.333 0.500
Pt 0.333 0.667 0.500 |
Below is a description of a material. | The chemical formula is: PaGaTc2.
The XRD pattern shows main peaks at: 23.6°(0.22), 39.0°(1.0), 46.1°(0.12), 56.4°(0.16), 70.7°(0.33), 83.8°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-41818 | 4.62 4.62 4.62
60 60 60
Pa 0.750 0.750 0.750
Ga 0.250 0.250 0.250
Tc 0.000 0.000 0.000
Tc 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: CdGeO3.
The XRD pattern shows main peaks at: 33.6°(1.0), 41.4°(0.1), 48.2°(0.35), 60.0°(0.41), 70.5°(0.2), 80.4°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-36626 | 3.78 3.78 3.78
90 90 90
Cd 0.000 0.000 0.000
Ge 0.500 0.500 0.500
O 0.500 0.500 0.000
O 0.500 0.000 0.500
O 0.000 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Nd2Ge2Ru.
The XRD pattern shows main peaks at: 9.6°(0.17), 25.5°(0.12), 26.5°(0.14), 31.9°(0.93), 32.6°(1.0), 33.0°(0.76), 33.8°(0.12), 35.3°(0.79), 36.9°(0.18), 38.3°(0.27), 39.0°(0.4), 39.5°(0.69), 41.5°(0.65), 42.9°(0.12), 53.0°(0.12), 53.4°(0.14), 53.8°(0.22), 57.8°(0.15), 58.3°(0.24), 61.9... | JVASP-102622 | 6.00 6.00 10.62
62 62 42
Nd 0.004 0.004 0.326
Nd -0.004 -0.004 0.674
Nd 0.815 0.815 0.109
Nd 0.185 0.185 0.891
Ge 0.654 0.654 0.432
Ge 0.346 0.346 0.568
Ge 0.506 0.506 0.128
Ge 0.494 0.494 0.872
Ru 0.724 0.724 0.624
Ru 0.276 0.276 0.376 |
Below is a description of a material. | The chemical formula is: AuC.
The XRD pattern shows main peaks at: 30.3°(0.35), 32.1°(1.0), 44.7°(0.96), 57.1°(0.23), 63.1°(0.06), 66.1°(0.27), 67.0°(0.13), 72.6°(0.21), 75.3°(0.2).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-36219 | 3.22 3.22 2.95
90 90 119
Au 0.000 0.000 0.000
C 0.333 0.667 0.500 |
Below is a description of a material. | The chemical formula is: TbGe7.
The XRD pattern shows main peaks at: 20.9°(0.07), 25.7°(1.0), 33.3°(0.07), 42.6°(0.7), 50.4°(0.45), 61.8°(0.11), 68.0°(0.17), 77.9°(0.23), 83.6°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-127453 | 6.01 6.01 6.01
90 90 90
Tb 0.500 0.500 0.500
Ge 0.766 0.766 0.766
Ge 0.500 0.000 0.000
Ge 0.766 0.234 0.234
Ge 0.000 0.500 0.000
Ge 0.234 0.766 0.234
Ge 0.000 0.000 0.500
Ge 0.234 0.234 0.766 |
Below is a description of a material. | The chemical formula is: Pa3Se.
The XRD pattern shows main peaks at: 19.8°(0.11), 28.2°(0.09), 34.7°(1.0), 40.3°(0.47), 45.3°(0.05), 58.2°(0.33), 69.6°(0.42), 73.2°(0.12), 87.0°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-125727 | 4.48 4.48 4.48
90 90 90
Pa 0.000 0.500 0.000
Pa 0.500 0.000 0.000
Pa 0.500 0.500 0.500
Se 0.000 0.000 0.500 |
Below is a description of a material. | The chemical formula is: K2SF6.
The XRD pattern shows main peaks at: 18.9°(0.68), 31.1°(0.68), 38.3°(1.0), 44.6°(0.93), 55.3°(0.19), 64.9°(0.46), 77.9°(0.21), 82.1°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-155296 | 5.75 5.75 5.75
120 89 120
K 0.750 0.500 0.250
K 0.250 0.500 0.750
S 0.000 0.000 0.000
F 0.769 -0.000 0.231
F 0.231 0.000 0.231
F 0.231 0.462 0.231
F 0.231 -0.000 0.769
F 0.769 -0.000 0.769
F 0.769 0.538 0.769 |
Below is a description of a material. | The chemical formula is: SrCaGe.
The XRD pattern shows main peaks at: 23.3°(0.14), 28.9°(0.69), 29.6°(0.22), 30.2°(1.0), 31.5°(0.19), 34.8°(0.52), 36.4°(0.46), 38.9°(0.19), 39.4°(0.1), 41.5°(0.1), 45.0°(0.1), 47.6°(0.12), 48.9°(0.12), 51.2°(0.11), 54.3°(0.14), 56.2°(0.17), 59.2°(0.1), 61.2°(0.1), 61.7°(0.13), 64.7°(0.1... | JVASP-10972 | 4.94 8.08 9.09
90 90 90
Sr 0.250 0.522 0.179
Sr 0.250 0.022 0.321
Sr 0.750 0.978 0.679
Sr 0.750 0.478 0.821
Ca 0.750 0.852 0.075
Ca 0.250 0.148 0.925
Ca 0.750 0.352 0.425
Ca 0.250 0.648 0.575
Ge 0.750 0.233 0.105
Ge 0.250 0.267 0.605
Ge 0.250 0.767 0.895
Ge 0.750 0.733 0.395 |
Below is a description of a material. | The chemical formula is: UCuSi2Ni.
The XRD pattern shows main peaks at: 18.2°(0.07), 24.2°(0.57), 31.9°(0.1), 35.8°(0.49), 37.0°(1.0), 45.8°(0.31), 52.4°(0.18), 59.4°(0.23), 60.2°(0.14), 66.7°(0.21), 78.9°(0.19).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-111332 | 5.61 5.61 5.61
138 138 59
U 0.000 0.000 0.000
Cu 0.250 0.750 0.500
Si 0.621 0.621 0.000
Si 0.379 0.379 0.000
Ni 0.750 0.250 0.500 |
Below is a description of a material. | The chemical formula is: La3BCCl3.
The XRD pattern shows main peaks at: 10.7°(0.29), 17.3°(0.19), 21.5°(0.34), 24.2°(0.53), 26.3°(0.2), 27.5°(0.34), 27.8°(0.45), 28.2°(1.0), 31.3°(0.34), 31.9°(0.95), 33.9°(0.73), 35.0°(0.64), 37.6°(0.25), 40.0°(0.27), 42.5°(0.39), 46.3°(0.23), 47.6°(0.33), 49.9°(0.24), 50.6°(0.33), 60.... | JVASP-153678 | 3.82 8.40 11.48
79 90 90
La 0.250 0.393 0.815
La 0.750 0.607 0.185
La 0.750 0.709 0.605
La 0.250 0.291 0.395
La 0.250 0.793 0.888
La 0.750 0.207 0.112
B 0.250 0.461 0.042
B 0.750 0.539 0.958
C 0.750 0.605 0.820
C 0.250 0.395 0.180
Cl 0.250 0.906 0.124
Cl 0.750 0.094 0.876
Cl 0.750 0.354 0.597
Cl 0.250 0.646 0.403
Cl 0.... |
Below is a description of a material. | The chemical formula is: FeHO2.
The XRD pattern shows main peaks at: 14.7°(1.0), 27.8°(0.71), 35.3°(0.22), 38.2°(0.09), 41.4°(0.14), 44.2°(0.54), 47.9°(0.22), 50.4°(0.09), 60.9°(0.09), 61.8°(0.06), 63.0°(0.07), 65.2°(0.14), 66.7°(0.07), 69.2°(0.09).
Generate atomic structure description with lattice lengths, angles, co... | JVASP-122515 | 4.57 4.89 6.63
74 76 107
Fe 0.069 0.819 0.361
Fe 0.931 0.181 0.639
Fe 0.569 0.319 0.363
Fe 0.431 0.681 0.637
H 0.622 0.197 0.039
H -0.162 0.763 0.038
H 0.378 0.803 -0.039
H 0.162 0.237 -0.038
O 0.208 0.957 0.583
O 0.710 0.461 0.583
O 0.792 0.043 0.417
O 0.290 0.539 0.417
O 0.420 0.188 0.143
O 0.935 0.668 0.143
O 0.580 ... |
Below is a description of a material. | The chemical formula is: HfMgBe2.
The XRD pattern shows main peaks at: 13.4°(1.0), 26.9°(0.34), 29.8°(0.51), 32.8°(0.52), 40.6°(0.59), 42.7°(0.26), 44.9°(0.21), 51.2°(0.26), 55.5°(0.06), 60.6°(0.09), 62.0°(0.08), 63.7°(0.08), 64.3°(0.12), 68.8°(0.1), 70.3°(0.09), 71.9°(0.11), 72.4°(0.1), 76.8°(0.19), 84.6°(0.07), 87.9°... | JVASP-68906 | 2.99 2.99 6.62
90 90 90
Hf 0.500 0.500 0.000
Mg 0.500 0.500 0.500
Be 0.000 0.000 0.741
Be 0.000 0.000 0.259 |
Below is a description of a material. | The chemical formula is: Tb2Cr2C3.
The XRD pattern shows main peaks at: 20.8°(0.23), 27.5°(0.56), 33.3°(0.65), 33.6°(1.0), 35.4°(0.22), 36.0°(0.32), 38.3°(0.81), 41.8°(0.26), 42.2°(0.15), 44.5°(0.09), 53.2°(0.21), 53.7°(0.18), 56.4°(0.2), 58.1°(0.09), 61.4°(0.09), 62.8°(0.08), 64.7°(0.14), 65.9°(0.13), 66.4°(0.1), 69.2... | JVASP-35444 | 3.41 5.45 5.59
104 90 108
Tb 0.396 0.792 0.683
Tb 0.604 0.208 0.317
Cr 0.158 0.315 0.891
Cr 0.842 0.685 0.109
C 0.711 0.422 0.773
C 0.289 0.578 0.227
C 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: CaSiN2.
The XRD pattern shows main peaks at: 16.1°(0.19), 32.6°(0.57), 34.2°(1.0), 42.9°(0.8), 44.9°(0.18), 54.9°(0.43), 59.2°(0.36), 62.3°(0.22), 72.1°(0.17), 73.1°(0.23), 76.3°(0.09), 84.1°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-115802 | 2.98 2.98 5.50
90 90 90
Ca 0.500 0.500 0.543
Si 0.000 0.000 0.085
N 0.000 0.000 0.389
N 0.500 0.500 0.994 |
Below is a description of a material. | The chemical formula is: CaAlF.
The XRD pattern shows main peaks at: 12.4°(0.06), 25.0°(0.16), 26.3°(1.0), 36.6°(0.23), 37.5°(0.38), 45.6°(0.12), 46.7°(0.17), 54.1°(0.11), 58.6°(0.09), 61.1°(0.15), 65.3°(0.06), 67.1°(0.07), 74.2°(0.07), 83.8°(0.06).
Generate atomic structure description with lattice lengths, angles, co... | JVASP-120195 | 3.39 3.39 7.12
90 90 90
Ca 0.000 0.000 0.699
Al 0.000 0.000 0.260
F 0.000 0.000 0.008 |
Below is a description of a material. | The chemical formula is: Rb2HgBiF6.
The XRD pattern shows main peaks at: 18.5°(0.28), 26.3°(1.0), 37.6°(0.34), 46.5°(0.44), 54.2°(0.23), 61.2°(0.2), 67.8°(0.07), 74.1°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-106209 | 6.77 6.77 6.77
60 60 60
Rb 0.750 0.750 0.750
Rb 0.250 0.250 0.250
Hg 0.500 0.500 0.500
Bi 0.000 0.000 0.000
F 0.764 0.236 0.236
F 0.236 0.236 0.764
F 0.236 0.764 0.764
F 0.236 0.764 0.236
F 0.764 0.236 0.764
F 0.764 0.764 0.236 |
Below is a description of a material. | The chemical formula is: Mg2Si.
The XRD pattern shows main peaks at: 25.5°(0.08), 33.3°(0.85), 35.0°(1.0), 35.8°(0.26), 39.9°(0.55), 42.0°(0.39), 43.0°(0.5), 44.6°(0.33), 45.1°(0.12), 45.6°(0.16), 47.8°(0.15), 57.2°(0.15), 60.2°(0.11), 63.7°(0.26), 64.9°(0.13), 67.8°(0.11), 71.5°(0.2), 72.7°(0.07), 73.7°(0.11), 86.9°(0... | JVASP-111603 | 4.20 7.05 8.04
90 90 90
Mg 0.250 0.033 0.836
Mg 0.250 0.533 0.664
Mg 0.750 0.967 0.164
Mg 0.750 0.467 0.336
Mg 0.250 0.139 0.439
Mg 0.250 0.639 0.061
Mg 0.750 0.861 0.561
Mg 0.750 0.361 0.939
Si 0.250 0.253 0.126
Si 0.250 0.753 0.374
Si 0.750 0.747 0.874
Si 0.750 0.247 0.626 |
Below is a description of a material. | The chemical formula is: SmSnPd.
The XRD pattern shows main peaks at: 31.8°(0.37), 32.9°(1.0), 35.8°(0.08), 38.4°(0.56), 38.9°(0.54), 49.5°(0.05), 51.6°(0.2), 55.4°(0.16), 59.1°(0.07), 63.2°(0.21), 64.3°(0.07), 65.3°(0.06), 66.0°(0.12), 69.8°(0.1), 71.1°(0.13), 72.7°(0.07), 89.0°(0.08).
Generate atomic structure descri... | JVASP-55016 | 4.69 7.37 8.00
90 90 90
Sm 0.750 0.510 0.796
Sm 0.750 0.010 0.704
Sm 0.250 0.990 0.296
Sm 0.250 0.490 0.204
Sn 0.750 0.192 0.088
Sn 0.750 0.692 0.412
Sn 0.250 0.808 0.912
Sn 0.250 0.308 0.588
Pd 0.750 0.796 0.084
Pd 0.250 0.204 0.916
Pd 0.750 0.296 0.416
Pd 0.250 0.704 0.584 |
Below is a description of a material. | The chemical formula is: TbB2Os.
The XRD pattern shows main peaks at: 26.4°(0.15), 27.8°(0.3), 31.7°(0.23), 33.6°(0.6), 34.6°(0.27), 36.0°(0.8), 37.4°(1.0), 44.2°(0.23), 45.0°(0.15), 46.9°(0.18), 48.1°(0.22), 60.0°(0.1), 61.7°(0.16), 62.6°(0.26), 64.2°(0.18), 67.1°(0.09), 70.8°(0.13), 74.4°(0.26), 82.7°(0.09), 84.2°(0.... | JVASP-154564 | 5.33 5.93 6.41
90 90 90
Tb 0.250 0.009 0.337
Tb 0.750 0.491 0.837
Tb 0.750 0.991 0.663
Tb 0.250 0.509 0.163
B 0.084 0.365 0.539
B 0.916 0.135 0.039
B 0.584 0.635 0.461
B 0.416 0.865 0.961
B 0.916 0.635 0.461
B 0.084 0.865 0.961
B 0.416 0.365 0.539
B 0.584 0.135 0.039
Os 0.250 0.179 0.819
Os 0.750 0.321 0.319
Os 0.750 0... |
Below is a description of a material. | The chemical formula is: Ho2HgO4.
The XRD pattern shows main peaks at: 26.0°(0.18), 26.5°(0.57), 27.0°(0.2), 29.6°(0.6), 30.1°(0.43), 30.7°(0.15), 31.3°(0.66), 31.6°(0.58), 32.9°(1.0), 34.3°(0.16), 36.2°(0.58), 39.7°(0.4), 43.4°(0.21), 50.8°(0.3), 52.2°(0.51), 53.3°(0.18), 54.4°(0.39), 59.1°(0.28), 60.9°(0.26), 65.1°(0... | JVASP-10866 | 3.60 7.03 8.78
78 78 75
Ho 0.119 0.224 0.538
Ho 0.881 0.776 0.462
Ho 0.340 0.520 0.800
Ho 0.660 0.480 0.200
Hg 0.388 0.064 0.160
Hg 0.612 0.936 0.840
O 0.917 0.513 0.652
O 0.083 0.487 0.348
O 0.733 0.146 0.388
O 0.267 0.854 0.612
O 0.298 0.351 0.053
O 0.702 0.649 0.947
O 0.466 0.785 0.283
O 0.534 0.215 0.717 |
Below is a description of a material. | The chemical formula is: Cr2FeO4.
The XRD pattern shows main peaks at: 19.0°(0.06), 31.3°(0.28), 36.8°(1.0), 38.5°(0.06), 44.8°(0.19), 59.3°(0.32), 65.2°(0.44).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-166140 | 5.72 5.72 5.72
90 119 119
Cr 0.000 -0.000 0.500
Cr 0.500 0.500 0.000
Cr 0.000 0.500 0.500
Cr 0.500 0.500 0.500
Fe 0.250 0.875 0.125
Fe 0.750 0.125 0.875
O 0.511 0.267 0.256
O 0.011 0.256 0.267
O 0.489 0.256 0.744
O 0.989 0.744 0.256
O 0.489 0.733 0.744
O 0.989 0.744 0.733
O 0.511 0.744 0.256
O 0.011 0.256 0.744 |
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