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: TbMgAu2.
The XRD pattern shows main peaks at: 22.2°(0.12), 25.7°(0.16), 36.7°(1.0), 43.3°(0.06), 52.9°(0.17), 59.7°(0.07), 66.1°(0.36), 78.0°(0.11), 89.5°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-39968 | 4.90 4.90 4.90
60 60 60
Tb 0.750 0.750 0.750
Mg 0.250 0.250 0.250
Au 0.500 0.500 0.500
Au 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Lu2MgHg.
The XRD pattern shows main peaks at: 21.1°(0.22), 24.4°(0.05), 34.8°(1.0), 41.1°(0.11), 50.1°(0.19), 62.5°(0.36), 73.5°(0.11), 84.0°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-79414 | 5.15 5.15 5.15
59 59 60
Lu 0.000 1.000 0.000
Lu 0.500 0.500 0.500
Mg 0.750 0.750 0.750
Hg 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: LiY2Ru.
The XRD pattern shows main peaks at: 22.2°(0.27), 25.7°(0.08), 36.7°(1.0), 43.3°(0.14), 52.9°(0.16), 58.0°(0.05), 66.1°(0.34), 78.0°(0.1), 89.5°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-190557 | 4.90 4.90 4.90
60 60 60
Y 0.250 0.250 0.250
Y 0.750 0.750 0.750
Ru 0.500 0.500 0.500
Li -0.000 -0.000 -0.000 |
Below is a description of a material. | The chemical formula is: Mg3Zn.
The XRD pattern shows main peaks at: 20.3°(0.1), 23.0°(0.29), 29.2°(0.08), 35.9°(1.0), 37.2°(0.09), 41.3°(0.18), 41.8°(0.33), 48.2°(0.08), 60.2°(0.2), 72.5°(0.24), 76.0°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-90568 | 4.32 4.32 8.74
90 90 90
Mg 0.500 0.500 0.000
Mg 0.500 0.000 0.250
Mg 0.000 0.500 0.250
Mg 0.000 0.000 0.500
Mg 0.000 0.500 0.750
Mg 0.500 0.000 0.750
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: AgF2.
The XRD pattern shows main peaks at: 26.6°(1.0), 28.8°(0.72), 30.7°(0.28), 31.2°(0.13), 34.5°(0.1), 35.3°(0.05), 41.2°(0.12), 46.8°(0.22), 47.2°(0.41), 50.8°(0.15), 51.4°(0.15), 54.7°(0.21), 55.3°(0.12), 57.1°(0.1), 58.3°(0.1), 59.7°(0.07), 65.0°(0.05), 66.5°(0.06), 74.6°(0.07), 76.9°(0.0... | JVASP-14911 | 3.85 5.20 5.79
90 130 90
Ag -0.000 0.500 0.500
Ag 0.000 0.000 0.000
F 0.272 0.760 0.859
F 0.728 0.260 0.641
F 0.272 0.740 0.359
F 0.728 0.240 0.141 |
Below is a description of a material. | The chemical formula is: NbIn2Cl6.
The XRD pattern shows main peaks at: 15.5°(0.33), 25.5°(1.0), 30.0°(0.16), 31.4°(0.72), 36.4°(0.86), 45.0°(0.4), 52.4°(0.57), 59.1°(0.18), 62.3°(0.22), 65.5°(0.17), 77.3°(0.05), 88.5°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types... | JVASP-155301 | 6.99 6.99 6.99
59 59 60
Nb 0.000 0.000 0.000
In 0.250 0.250 0.250
In 0.750 0.750 0.750
Cl 0.754 0.754 0.246
Cl 0.246 0.754 0.246
Cl 0.754 0.246 0.246
Cl 0.754 0.246 0.754
Cl 0.246 0.246 0.754
Cl 0.246 0.754 0.754 |
Below is a description of a material. | The chemical formula is: TcSe2.
The XRD pattern shows main peaks at: 13.4°(0.52), 34.6°(1.0), 41.0°(0.07), 42.1°(0.63), 52.8°(0.22), 55.7°(0.1), 56.5°(0.28), 67.9°(0.15), 72.9°(0.07), 80.3°(0.08), 83.3°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-123714 | 3.26 3.26 6.60
90 90 120
Tc -0.000 0.333 0.167
Se 0.669 0.668 0.427
Se 0.331 -0.001 0.906 |
Below is a description of a material. | The chemical formula is: Sr2AsAu.
The XRD pattern shows main peaks at: 20.2°(0.15), 23.4°(0.06), 33.3°(1.0), 39.3°(0.1), 47.8°(0.17), 59.6°(0.36), 70.0°(0.12), 79.8°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-79331 | 5.38 5.38 5.38
60 60 60
Sr 0.000 0.000 0.000
Sr 0.500 0.500 0.500
As 0.250 0.250 0.250
Au 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: TiZnIr.
The XRD pattern shows main peaks at: 23.7°(0.51), 40.9°(1.0), 41.6°(0.73), 48.4°(0.09), 59.8°(0.3), 75.4°(0.31), 75.9°(0.12), 83.9°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-186670 | 4.34 4.34 2.72
90 90 120
Ti 0.333 0.667 0.500
Zn 0.667 0.333 0.500
Ir -0.000 0.000 -0.000 |
Below is a description of a material. | The chemical formula is: BaPd2S4.
The XRD pattern shows main peaks at: 13.0°(0.47), 19.1°(0.29), 26.1°(1.0), 26.5°(0.76), 28.2°(0.16), 29.2°(0.49), 29.7°(0.42), 30.4°(0.48), 35.2°(0.69), 36.4°(0.82), 37.5°(0.26), 39.9°(0.28), 43.3°(0.18), 45.9°(0.28), 48.3°(0.33), 53.7°(0.28), 54.6°(0.22), 57.6°(0.22), 60.7°(0.29), 65.... | JVASP-12973 | 6.77 6.84 7.28
90 110 90
Ba 0.281 0.250 0.491
Ba 0.719 0.750 0.509
Pd 0.000 0.000 0.000
Pd 0.000 0.500 0.000
Pd 0.481 0.750 0.987
Pd 0.519 0.250 0.013
S 0.370 0.497 0.147
S 0.630 0.997 0.853
S 0.630 0.503 0.853
S 0.370 0.003 0.147
S 0.027 0.250 0.786
S 0.973 0.750 0.214
S 0.207 0.750 0.495
S 0.793 0.250 0.505 |
Below is a description of a material. | The chemical formula is: SCl3.
The XRD pattern shows main peaks at: 13.8°(0.32), 22.0°(0.38), 24.5°(0.5), 27.5°(0.38), 28.8°(1.0), 32.0°(0.06), 33.4°(0.27), 34.2°(0.26), 37.8°(0.57), 40.3°(0.12), 42.1°(0.1), 45.3°(0.27), 50.2°(0.17), 51.8°(0.1), 57.1°(0.16), 58.0°(0.17), 59.1°(0.13), 59.6°(0.12), 73.6°(0.08), 74.5°(0.0... | JVASP-124294 | 5.40 4.11 6.52
83 99 131
S 0.944 0.000 0.295
Cl 0.131 -0.000 0.606
Cl 0.670 0.000 0.944
Cl 0.254 1.000 0.155 |
Below is a description of a material. | The chemical formula is: Cu6OF11.
The XRD pattern shows main peaks at: 26.9°(1.0), 27.7°(0.92), 32.9°(0.44), 33.8°(0.36), 34.4°(0.29), 35.3°(0.23), 39.0°(0.28), 40.5°(0.12), 50.4°(0.19), 51.0°(0.17), 51.8°(0.17), 52.9°(0.13), 53.6°(0.33), 54.2°(0.14), 54.6°(0.13), 55.4°(0.19), 57.3°(0.15), 57.7°(0.19), 63.1°(0.12), 65.... | JVASP-52210 | 4.62 5.44 8.17
87 88 89
Cu 0.003 0.999 -0.001
Cu 0.523 0.497 0.984
Cu 0.983 0.343 0.674
Cu 0.507 0.820 0.669
Cu 0.495 0.170 0.336
Cu 0.002 0.666 0.330
O 0.697 0.542 0.765
F 0.704 0.198 0.093
F 0.309 0.464 0.230
F 0.697 0.872 0.428
F 0.794 0.374 0.415
F 0.789 0.047 0.757
F 0.287 0.126 0.583
F 0.300 0.801 0.906
F 0.205 0... |
Below is a description of a material. | The chemical formula is: Sm2Ge5Ru3.
The XRD pattern shows main peaks at: 28.6°(0.15), 30.5°(0.17), 33.9°(0.63), 34.2°(1.0), 35.5°(0.83), 36.1°(0.17), 38.6°(0.23), 40.0°(0.27), 42.3°(0.77), 43.4°(0.06), 52.0°(0.1), 54.3°(0.18), 56.6°(0.23), 63.4°(0.27), 64.5°(0.13).
Generate atomic structure description with lattice len... | JVASP-49918 | 5.87 8.51 8.51
94 110 110
Sm 0.731 0.593 0.870
Sm 0.231 0.870 0.593
Sm 0.769 0.130 0.407
Sm 0.269 0.407 0.130
Ge 0.674 0.262 0.085
Ge 0.250 0.791 0.209
Ge 0.173 0.085 0.262
Ge 0.750 0.791 0.209
Ge 0.750 0.500 0.500
Ge 0.250 0.209 0.791
Ge 0.826 0.915 0.738
Ge 0.750 0.209 0.791
Ge 0.326 0.738 0.915
Ge 0.250 0.500 0.500
... |
Below is a description of a material. | The chemical formula is: H3O.
The XRD pattern shows main peaks at: 24.8°(1.0), 27.9°(0.75), 34.3°(0.42), 36.8°(0.6), 38.5°(0.35), 40.7°(0.18), 42.1°(0.18), 44.7°(0.11), 47.5°(0.11), 50.8°(0.09), 51.7°(0.06), 57.1°(0.1), 57.6°(0.08), 60.2°(0.07).
Generate atomic structure description with lattice lengths, angles, coordi... | JVASP-125418 | 2.78 4.76 3.39
49 71 81
H 0.882 0.472 0.099
H 0.328 0.739 0.554
H -0.162 0.102 0.651
O -0.048 0.687 0.695 |
Below is a description of a material. | The chemical formula is: Sc2AlPt.
The XRD pattern shows main peaks at: 23.1°(0.64), 26.7°(0.22), 38.1°(1.0), 45.0°(0.36), 47.1°(0.06), 55.0°(0.17), 60.4°(0.15), 62.2°(0.09), 68.9°(0.33), 73.7°(0.12), 81.5°(0.1), 86.1°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-186867 | 4.72 4.72 4.72
60 60 60
Sc 0.250 0.250 0.250
Sc 0.750 0.750 0.750
Al 0.500 0.500 0.500
Pt -0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: CrNi3.
The XRD pattern shows main peaks at: 44.2°(1.0), 51.5°(0.46), 75.8°(0.25).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-36161 | 3.55 3.55 3.55
90 90 90
Cr 0.000 0.000 0.000
Ni 0.000 0.500 0.500
Ni 0.500 0.500 0.000
Ni 0.500 0.000 0.500 |
Below is a description of a material. | The chemical formula is: AlOF2.
The XRD pattern shows main peaks at: 21.1°(0.87), 26.2°(0.97), 33.7°(0.13), 40.3°(0.32), 45.8°(1.0), 48.9°(0.39), 53.9°(0.11), 60.4°(0.27), 64.6°(0.12), 66.8°(0.2), 69.3°(0.41), 73.1°(0.09), 85.1°(0.11), 87.1°(0.17).
Generate atomic structure description with lattice lengths, angles, coo... | JVASP-139148 | 4.81 4.81 4.81
146 57 134
Al 0.502 0.002 0.500
O 0.002 0.502 0.500
F 0.359 0.502 0.857
F 0.645 0.502 0.143 |
Below is a description of a material. | The chemical formula is: Na3Rh.
The XRD pattern shows main peaks at: 16.2°(0.39), 23.7°(0.57), 28.2°(0.28), 32.7°(0.24), 34.9°(0.28), 37.2°(1.0), 38.7°(0.09), 45.5°(0.17), 47.4°(0.26), 48.6°(0.15), 56.2°(0.05), 58.4°(0.16), 64.1°(0.22), 69.9°(0.18), 71.4°(0.16).
Generate atomic structure description with lattice length... | JVASP-37765 | 6.32 6.32 5.14
90 90 120
Na 0.821 0.179 0.250
Na 0.821 0.642 0.250
Na 0.358 0.179 0.250
Na 0.179 0.821 0.750
Na 0.179 0.358 0.750
Na 0.642 0.821 0.750
Rh 0.667 0.333 0.750
Rh 0.333 0.667 0.250 |
Below is a description of a material. | The chemical formula is: BaSiC.
The XRD pattern shows main peaks at: 21.7°(1.0), 22.3°(0.54), 26.4°(0.98), 34.9°(0.62), 37.7°(0.37), 38.8°(0.46), 43.9°(0.32), 44.3°(0.33), 53.4°(0.13), 54.4°(0.13), 55.2°(0.31), 59.5°(0.15), 60.6°(0.08), 61.4°(0.27), 66.2°(0.19), 68.8°(0.08), 72.4°(0.08), 74.3°(0.18), 79.7°(0.08), 81.2°... | JVASP-119943 | 5.22 5.22 5.22
125 125 80
Ba 0.992 0.992 0.000
Si 0.416 0.416 0.000
C 0.630 0.630 -0.000 |
Below is a description of a material. | The chemical formula is: CeAlCo4.
The XRD pattern shows main peaks at: 20.7°(0.16), 21.9°(0.19), 30.3°(0.42), 30.7°(0.27), 35.9°(0.12), 36.9°(0.4), 42.1°(0.22), 42.4°(0.7), 43.3°(1.0), 44.6°(0.39), 47.9°(0.08), 59.3°(0.17), 62.2°(0.21), 63.0°(0.13), 63.9°(0.14), 69.6°(0.17), 71.6°(0.1), 78.6°(0.1), 80.7°(0.1), 81.3°(0.... | JVASP-107357 | 4.06 4.87 4.87
61 90 90
Ce 0.000 1.000 0.000
Al 0.500 0.500 0.500
Co 0.000 0.307 0.307
Co 0.000 0.693 0.693
Co 0.500 0.500 0.000
Co 0.500 1.000 0.500 |
Below is a description of a material. | The chemical formula is: HoFe2.
The XRD pattern shows main peaks at: 20.5°(0.13), 21.5°(0.08), 23.2°(0.13), 29.9°(0.12), 36.0°(0.67), 38.7°(1.0), 41.8°(0.16), 42.3°(0.93), 43.3°(0.51), 59.9°(0.11), 64.7°(0.12), 66.5°(0.4), 69.0°(0.2), 71.9°(0.25), 76.3°(0.21), 83.1°(0.1), 89.0°(0.18).
Generate atomic structure descript... | JVASP-150951 | 4.99 4.99 8.27
90 90 120
Ho 0.333 0.667 0.066
Ho 0.667 0.333 0.566
Ho 0.667 0.333 0.934
Ho 0.333 0.667 0.434
Fe 0.000 0.000 0.000
Fe 0.000 0.000 0.500
Fe 0.830 0.661 0.250
Fe 0.339 0.170 0.250
Fe 0.830 0.170 0.250
Fe 0.170 0.339 0.750
Fe 0.661 0.830 0.750
Fe 0.170 0.830 0.750 |
Below is a description of a material. | The chemical formula is: ZrNCl.
The XRD pattern shows main peaks at: 7.9°(0.16), 15.9°(1.0), 24.0°(0.23), 30.0°(0.46), 31.1°(0.32), 34.2°(0.9), 38.8°(0.81), 40.6°(0.14), 44.6°(0.13), 51.3°(0.35), 53.3°(0.37), 56.0°(0.21), 59.3°(0.1), 64.9°(0.12), 67.9°(0.14), 69.1°(0.18), 77.1°(0.1), 88.7°(0.11).
Generate atomic struct... | JVASP-115896 | 3.44 3.44 11.12
90 90 120
Zr 0.000 0.000 0.804
Zr 0.000 0.000 0.196
N 0.667 0.333 0.861
N 0.333 0.667 0.139
Cl 0.333 0.667 0.637
Cl 0.667 0.333 0.363 |
Below is a description of a material. | The chemical formula is: MgSn2O5.
The XRD pattern shows main peaks at: 17.2°(1.0), 18.2°(0.17), 19.1°(0.09), 26.5°(0.19), 28.5°(0.61), 28.9°(0.16), 32.4°(0.23), 33.0°(0.31), 33.5°(0.3), 34.1°(0.21), 35.4°(0.36), 38.9°(0.17), 40.3°(0.15), 42.5°(0.1), 45.3°(0.32), 48.5°(0.09), 52.9°(0.25), 55.8°(0.18), 57.7°(0.13), 61.4°... | JVASP-9651 | 3.19 5.16 12.56
93 90 90
Mg 0.251 0.861 0.735
Mg 0.751 0.140 0.266
Sn 0.751 0.405 0.891
Sn 0.251 0.596 0.109
Sn 0.251 0.618 0.399
Sn 0.751 0.383 0.601
O 0.251 0.383 0.252
O 0.751 0.617 0.748
O 0.251 0.654 0.943
O 0.751 0.347 0.058
O 0.251 0.642 0.569
O 0.751 0.359 0.431
O 0.251 0.146 0.628
O -0.249 0.854 0.372
O 0.751 ... |
Below is a description of a material. | The chemical formula is: SnSe.
The XRD pattern shows main peaks at: 22.0°(0.05), 25.5°(0.06), 30.0°(0.44), 30.4°(1.0), 37.3°(0.34), 42.1°(0.24), 48.5°(0.34), 52.5°(0.26), 61.0°(0.13), 69.5°(0.25), 73.6°(0.05), 78.0°(0.07), 78.8°(0.09), 81.7°(0.09).
Generate atomic structure description with lattice lengths, angles, coo... | JVASP-296 | 4.29 4.30 6.34
90 109 90
Sn 0.127 0.750 0.254
Sn 0.873 0.250 0.746
Se 0.357 0.750 0.714
Se 0.643 0.250 0.286 |
Below is a description of a material. | The chemical formula is: Be12Pt.
The XRD pattern shows main peaks at: 17.3°(0.82), 24.5°(1.0), 35.0°(0.83), 39.3°(0.25), 43.2°(0.27), 46.8°(0.14), 50.3°(0.51), 53.7°(0.05), 56.8°(0.06), 65.7°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-55028 | 4.19 5.54 5.54
81 67 67
Be -0.000 0.652 0.348
Be 0.000 0.500 -0.000
Be 0.652 0.348 0.348
Be 0.500 0.226 0.774
Be 0.000 0.348 0.652
Be 0.500 0.000 0.500
Be 0.348 0.652 0.652
Be 0.274 0.226 0.226
Be 0.500 0.774 0.226
Be -0.000 0.000 0.500
Be 0.726 0.774 0.774
Be 0.500 0.500 -0.000
Pt 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: ScAlCd.
The XRD pattern shows main peaks at: 23.7°(0.42), 27.5°(0.74), 39.2°(1.0), 46.4°(0.23), 48.6°(0.19), 56.7°(0.18), 62.3°(0.09), 64.2°(0.22), 71.1°(0.32), 76.2°(0.07), 84.4°(0.11), 89.3°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-178852 | 4.59 4.59 4.59
60 60 60
Sc 0.250 0.250 0.250
Al 0.000 0.000 0.000
Cd 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: LiCoC2O6.
The XRD pattern shows main peaks at: 18.3°(0.75), 23.5°(0.73), 25.9°(0.1), 33.6°(1.0), 38.5°(0.11), 39.9°(0.11), 44.2°(0.64), 48.2°(0.16), 49.6°(0.11), 55.6°(0.43), 63.2°(0.11), 71.8°(0.11), 72.5°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates a... | JVASP-141833 | 4.52 5.51 7.82
76 90 114
Li -0.000 -0.000 -0.000
Li 0.500 0.000 0.500
Co 0.750 0.500 0.750
Co 0.250 0.500 0.250
C 0.863 0.726 0.379
C 0.363 0.726 0.879
C 0.637 0.274 0.121
C 0.137 0.274 0.621
O 0.504 0.269 0.974
O 0.004 0.269 0.475
O 0.979 0.269 0.761
O 0.479 0.269 0.261
O 0.521 0.731 0.739
O 0.421 0.269 0.630
O 0.996 ... |
Below is a description of a material. | The chemical formula is: KBe2Re.
The XRD pattern shows main peaks at: 19.9°(0.29), 26.1°(1.0), 34.3°(0.15), 38.8°(0.32), 40.0°(0.55), 40.4°(0.13), 49.3°(0.14), 53.7°(0.09), 56.7°(0.23), 57.3°(0.12), 64.5°(0.16), 65.6°(0.13), 73.2°(0.09), 78.9°(0.09), 86.0°(0.12).
Generate atomic structure description with lattice lengt... | JVASP-69752 | 5.17 5.17 5.17
138 138 60
K 0.500 0.500 0.000
Be 0.000 0.000 0.000
Be 0.250 0.750 0.500
Re 0.750 0.250 0.500 |
Below is a description of a material. | The chemical formula is: Lu3Pt4.
The XRD pattern shows main peaks at: 32.9°(0.2), 35.5°(0.13), 36.8°(1.0), 38.3°(0.76), 43.3°(0.16), 47.8°(0.07), 52.3°(0.09), 54.2°(0.18), 66.4°(0.11), 67.3°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-169523 | 5.67 7.69 7.69
114 104 104
Lu 0.405 0.129 0.381
Lu 0.023 0.619 0.747
Lu 0.276 0.253 0.871
Lu 0.595 0.871 0.619
Lu 0.977 0.381 0.253
Lu 0.724 0.747 0.129
Pt -0.000 -0.000 -0.000
Pt 0.500 -0.000 -0.000
Pt 0.231 0.682 0.166
Pt 0.066 0.834 0.516
Pt 0.549 0.484 0.318
Pt 0.769 0.318 0.834
Pt 0.934 0.166 0.484
Pt 0.451 0.516 ... |
Below is a description of a material. | The chemical formula is: SrBiB.
The XRD pattern shows main peaks at: 21.0°(1.0), 24.3°(0.12), 34.7°(0.88), 40.9°(0.59), 49.9°(0.15), 54.7°(0.27), 56.3°(0.06), 62.2°(0.33), 66.4°(0.2), 73.2°(0.1), 77.2°(0.18), 83.6°(0.15), 87.5°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and a... | JVASP-51293 | 5.17 5.17 5.17
60 60 60
Sr 0.000 0.000 0.000
Bi 0.250 0.250 0.250
B 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: MoWC2.
The XRD pattern shows main peaks at: 17.5°(0.21), 32.3°(1.0), 35.5°(0.41), 41.2°(0.6), 48.1°(0.81), 55.4°(0.26), 64.6°(0.14), 72.7°(0.18), 73.2°(0.13), 74.1°(0.18), 75.9°(0.15), 79.6°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-188551 | 5.46 5.46 5.46
149 149 43
Mo 0.459 0.459 -0.000
C 0.042 0.042 0.000
C 0.791 0.291 0.500
W 0.209 0.709 0.500 |
Below is a description of a material. | The chemical formula is: Ti2VPt.
The XRD pattern shows main peaks at: 14.2°(0.4), 28.6°(0.23), 32.0°(0.3), 40.9°(1.0), 43.4°(0.12), 50.6°(0.09), 52.9°(0.05), 59.0°(0.13), 61.2°(0.07), 66.9°(0.08), 68.7°(0.07), 74.3°(0.27), 88.6°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and ... | JVASP-189961 | 3.13 3.13 6.23
90 90 90
Ti -0.000 0.000 0.760
Ti 0.000 -0.000 0.240
Pt 0.500 0.500 0.500
V 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: Ta2CrO6.
The XRD pattern shows main peaks at: 19.3°(0.08), 21.1°(0.31), 26.6°(1.0), 33.1°(0.09), 34.9°(0.8), 38.0°(0.22), 43.8°(0.1), 52.5°(0.65), 54.8°(0.15), 61.9°(0.16), 66.6°(0.19), 79.3°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-89222 | 4.74 4.74 9.18
90 90 90
Ta 0.000 0.000 0.335
Ta -0.000 1.000 0.665
Ta 0.500 0.500 0.835
Ta 0.500 0.500 0.165
Cr 0.500 0.500 0.500
Cr 0.000 0.000 0.000
O 0.698 0.698 1.000
O 0.699 0.699 0.669
O 0.801 0.199 0.169
O 0.199 0.801 0.169
O 0.801 0.199 0.831
O 0.198 0.802 0.500
O 0.302 0.302 0.000
O 0.301 0.301 0.669
O 0.199 0... |
Below is a description of a material. | The chemical formula is: BePdPb2.
The XRD pattern shows main peaks at: 18.3°(0.1), 24.8°(0.2), 26.0°(0.35), 31.0°(0.06), 36.3°(1.0), 37.1°(0.43), 45.2°(0.18), 50.9°(0.1), 53.5°(0.15), 58.1°(0.08), 59.9°(0.08), 60.5°(0.08), 64.7°(0.19), 66.4°(0.36), 77.0°(0.12), 79.1°(0.05), 82.9°(0.07), 86.2°(0.09).
Generate atomic str... | JVASP-74505 | 4.84 4.84 3.59
90 90 90
Be 0.000 0.000 0.500
Pd 0.500 0.500 0.500
Pb 0.500 0.000 0.000
Pb 0.000 0.500 0.000 |
Below is a description of a material. | The chemical formula is: Yb3Cd.
The XRD pattern shows main peaks at: 31.2°(1.0), 36.1°(0.53), 52.0°(0.38), 61.9°(0.46), 65.0°(0.13), 76.7°(0.06), 85.0°(0.18), 87.8°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-128321 | 4.97 4.97 4.97
90 90 90
Yb 0.000 0.500 0.500
Yb 0.500 0.000 0.500
Yb 0.500 0.500 0.000
Cd 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: MnZnSi2O6.
The XRD pattern shows main peaks at: 13.4°(0.49), 19.2°(0.8), 25.9°(0.19), 27.0°(0.83), 28.3°(0.84), 29.6°(0.4), 30.0°(0.24), 30.5°(0.79), 33.2°(1.0), 35.7°(0.61), 36.1°(0.18), 36.8°(0.24), 40.3°(0.65), 42.7°(0.33), 43.9°(0.17), 46.9°(0.22), 54.8°(0.49), 58.7°(0.19), 60.1°(0.32), 66.... | JVASP-21351 | 5.39 6.84 6.84
87 75 75
Mn 0.250 0.107 0.893
Mn 0.750 0.893 0.107
Zn 0.750 0.236 0.764
Zn 0.250 0.764 0.236
Si 0.224 0.221 0.388
Si 0.276 0.612 0.779
Si 0.724 0.388 0.221
Si 0.776 0.779 0.612
O 0.657 0.960 0.788
O 0.843 0.212 0.040
O 0.619 0.617 0.146
O 0.881 0.854 0.383
O 0.381 0.383 0.854
O 0.033 0.618 0.671
O 0.967 ... |
Below is a description of a material. | The chemical formula is: NdSe2.
The XRD pattern shows main peaks at: 20.8°(0.1), 23.6°(0.44), 30.1°(0.42), 31.5°(0.33), 31.9°(0.73), 36.9°(1.0), 38.2°(0.59), 43.1°(0.4), 54.3°(0.2), 58.4°(0.15), 58.9°(0.27), 62.6°(0.17), 71.7°(0.09), 75.3°(0.11).
Generate atomic structure description with lattice lengths, angles, coord... | JVASP-56587 | 8.42 4.19 8.53
90 90 90
Nd 0.626 0.275 0.275
Nd 0.374 0.725 0.725
Nd 0.126 0.225 0.275
Nd 0.874 0.775 0.725
Se 0.381 0.190 0.998
Se 0.875 0.755 0.368
Se 0.125 0.245 0.632
Se 0.625 0.255 0.632
Se 0.119 0.690 0.002
Se 0.375 0.745 0.368
Se 0.619 0.810 0.002
Se 0.881 0.310 0.998 |
Below is a description of a material. | The chemical formula is: Ce3Tl.
The XRD pattern shows main peaks at: 32.4°(1.0), 37.6°(0.47), 54.2°(0.33), 64.5°(0.43), 67.8°(0.12), 80.1°(0.05), 89.1°(0.19).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-18078 | 4.79 4.79 4.79
90 90 90
Ce 0.000 0.500 0.500
Ce 0.500 0.500 0.000
Ce 0.500 0.000 0.500
Tl 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Ba6Re2N6O.
The XRD pattern shows main peaks at: 16.1°(0.14), 26.7°(0.45), 27.2°(1.0), 30.8°(0.43), 32.6°(0.68), 33.9°(0.16), 38.2°(0.17), 42.6°(0.1), 44.4°(0.1), 46.6°(0.13), 49.1°(0.21), 57.8°(0.1), 59.1°(0.1), 64.1°(0.05), 67.0°(0.1), 69.9°(0.1).
Generate atomic structure description with lat... | JVASP-120706 | 7.49 7.49 7.49
66 66 66
Ba 0.335 0.182 0.737
Ba 0.182 0.737 0.335
Ba 0.737 0.335 0.182
Ba 0.665 0.818 0.263
Ba 0.818 0.263 0.665
Ba 0.263 0.665 0.818
Re 0.249 0.249 0.249
Re 0.751 0.751 0.751
N 0.245 0.031 0.479
N 0.031 0.479 0.245
N 0.479 0.245 0.031
N 0.755 0.969 0.521
N 0.969 0.521 0.755
N 0.521 0.755 0.969
O 0.500 ... |
Below is a description of a material. | The chemical formula is: Er2TlZn.
The XRD pattern shows main peaks at: 21.1°(0.11), 34.8°(1.0), 50.1°(0.2), 62.5°(0.41), 73.6°(0.13), 84.1°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-109528 | 5.15 5.15 5.15
60 60 60
Er 0.250 0.250 0.250
Er 0.750 0.750 0.750
Tl 0.500 0.500 0.500
Zn 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: MgRhF6.
The XRD pattern shows main peaks at: 19.5°(0.19), 21.6°(0.46), 24.4°(1.0), 33.5°(0.31), 36.1°(0.1), 39.0°(0.08), 41.3°(0.35), 44.1°(0.11), 50.0°(0.15), 54.6°(0.34), 58.2°(0.08), 64.9°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-16201 | 5.39 5.39 5.39
55 55 55
Mg 0.500 0.500 0.500
Rh 0.000 0.000 0.000
F 0.388 0.103 0.756
F 0.103 0.756 0.388
F 0.244 0.612 0.897
F 0.897 0.244 0.612
F 0.612 0.897 0.244
F 0.756 0.388 0.103 |
Below is a description of a material. | The chemical formula is: NbVCN.
The XRD pattern shows main peaks at: 17.7°(0.19), 34.2°(0.14), 35.8°(0.9), 41.6°(1.0), 45.6°(0.08), 60.2°(0.35), 72.1°(0.28), 75.8°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-99944 | 5.30 5.30 5.30
33 33 33
Nb 0.746 0.746 0.746
V 0.258 0.258 0.258
C 0.993 0.993 0.993
N 0.503 0.503 0.503 |
Below is a description of a material. | The chemical formula is: RbBH4.
The XRD pattern shows main peaks at: 19.7°(0.52), 25.3°(0.59), 32.3°(1.0), 36.1°(0.35), 40.1°(0.13), 41.4°(0.37), 48.0°(0.24), 51.9°(0.14), 55.0°(0.2), 56.1°(0.14), 58.6°(0.12), 62.5°(0.27), 67.5°(0.11), 67.9°(0.11), 73.4°(0.13), 79.9°(0.05), 85.5°(0.06), 87.6°(0.06).
Generate atomic str... | JVASP-119919 | 3.52 3.52 4.50
90 90 90
Rb 0.000 0.000 0.000
B 0.500 0.500 0.500
H 0.500 0.500 0.768
H 0.500 0.500 0.232
H 0.500 0.000 0.500
H 0.000 0.500 0.500 |
Below is a description of a material. | The chemical formula is: AlVFeCo.
The XRD pattern shows main peaks at: 31.3°(0.06), 44.8°(1.0), 65.2°(0.15), 82.6°(0.28).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-36198 | 4.05 4.05 4.05
60 60 60
Al 0.000 0.000 0.000
V 0.500 0.500 0.500
Fe 0.750 0.750 0.750
Co 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: K2Ge2Pb2O7.
The XRD pattern shows main peaks at: 11.1°(0.43), 20.9°(0.64), 28.6°(1.0), 30.7°(0.86), 32.8°(0.31), 38.3°(0.13), 42.4°(0.38), 46.3°(0.17), 49.2°(0.34), 49.9°(0.06), 53.3°(0.39), 54.6°(0.19), 55.9°(0.09), 59.1°(0.06), 64.0°(0.14), 68.1°(0.14), 71.5°(0.15).
Generate atomic structure ... | JVASP-54374 | 5.82 5.82 7.97
90 90 120
K 0.667 0.333 0.929
K 0.333 0.667 0.071
Ge 0.000 0.000 0.273
Ge 0.000 0.000 0.727
Pb 0.333 0.667 0.617
Pb 0.667 0.333 0.383
O 0.772 0.099 0.208
O 0.228 0.901 0.792
O 0.328 0.228 0.208
O 0.000 0.000 0.500
O 0.099 0.328 0.792
O 0.901 0.672 0.208
O 0.672 0.772 0.792 |
Below is a description of a material. | The chemical formula is: LiCl2.
The XRD pattern shows main peaks at: 21.4°(0.51), 22.2°(1.0), 31.0°(0.38), 37.5°(0.6), 44.0°(0.75), 45.3°(0.12), 49.4°(0.08), 50.6°(0.07), 60.2°(0.27), 67.6°(0.09), 72.1°(0.15), 82.7°(0.1), 84.2°(0.1), 85.1°(0.09).
Generate atomic structure description with lattice lengths, angles, coord... | JVASP-136911 | 4.80 4.80 4.00
90 90 120
Li 0.000 0.000 0.000
Cl 0.333 0.667 0.000
Cl 0.667 0.333 0.000 |
Below is a description of a material. | The chemical formula is: TlCoO3.
The XRD pattern shows main peaks at: 23.6°(0.4), 26.5°(0.08), 33.6°(1.0), 35.5°(0.05), 41.3°(0.11), 41.8°(0.12), 48.4°(0.24), 50.0°(0.06), 54.4°(0.09), 55.6°(0.09), 59.9°(0.22), 60.6°(0.21), 70.7°(0.12), 71.5°(0.06), 80.8°(0.05).
Generate atomic structure description with lattice length... | JVASP-144886 | 5.28 5.36 7.55
90 90 90
Tl 0.013 0.959 0.250
Tl 0.487 0.459 0.250
Tl 0.513 0.541 0.750
Tl 0.987 0.041 0.750
Co 0.000 0.500 0.500
Co 0.000 0.500 0.000
Co 0.500 0.000 0.500
Co 0.500 0.000 0.000
O 0.788 0.786 0.555
O 0.712 0.286 0.555
O 0.712 0.286 0.945
O 0.598 0.039 0.250
O 0.402 0.961 0.750
O 0.212 0.214 0.055
O 0.288 ... |
Below is a description of a material. | The chemical formula is: BaSbSe2F.
The XRD pattern shows main peaks at: 22.6°(0.14), 23.7°(0.28), 24.8°(0.29), 25.6°(0.76), 27.7°(0.31), 28.2°(0.64), 28.5°(1.0), 29.2°(0.14), 29.7°(0.1), 30.1°(0.11), 31.0°(0.16), 32.6°(0.16), 35.4°(0.11), 37.2°(0.33), 40.1°(0.19), 40.4°(0.67), 48.4°(0.19), 48.9°(0.1), 52.0°(0.08), 66.5... | JVASP-164321 | 6.28 6.36 14.00
85 85 89
Ba 0.730 0.479 0.609
Ba 0.770 0.013 0.392
Ba 0.270 0.521 0.391
Ba 0.230 0.987 0.608
Sb 0.260 0.024 0.124
Sb 0.764 0.609 0.124
Sb 0.740 0.976 0.876
Sb 0.236 0.391 0.876
Se 0.666 0.389 0.883
Se 0.716 0.963 0.695
Se 0.783 0.524 0.304
Se 0.334 0.611 0.117
Se 0.217 0.476 0.696
Se 0.172 0.974 0.873
S... |
Below is a description of a material. | The chemical formula is: Ga3Cu.
The XRD pattern shows main peaks at: 38.5°(1.0), 44.8°(0.45), 65.2°(0.28), 78.3°(0.34), 82.5°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-37866 | 4.05 4.05 4.05
90 90 90
Ga 0.500 0.000 0.500
Ga 0.500 0.500 0.000
Ga 0.000 0.500 0.500
Cu 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: ThCuAsO.
The XRD pattern shows main peaks at: 24.7°(0.38), 30.8°(1.0), 31.7°(0.42), 33.5°(0.24), 38.4°(0.46), 45.5°(0.45), 48.8°(0.28), 52.4°(0.1), 54.3°(0.18), 56.0°(0.38), 56.6°(0.11), 59.4°(0.07), 66.3°(0.13), 68.9°(0.2), 74.9°(0.09), 75.4°(0.11), 77.9°(0.07), 79.3°(0.1), 86.5°(0.06).
Genera... | JVASP-150229 | 3.99 3.99 8.44
90 90 90
Th 0.250 0.250 0.839
Th 0.750 0.750 0.161
Cu 0.750 0.250 0.500
Cu 0.250 0.750 0.500
As 0.250 0.250 0.321
As 0.750 0.750 0.679
O 0.750 0.250 0.000
O 0.250 0.750 0.000 |
Below is a description of a material. | The chemical formula is: LiCdAs.
The XRD pattern shows main peaks at: 24.4°(1.0), 40.4°(0.77), 47.7°(0.47), 58.4°(0.14), 64.2°(0.18), 73.4°(0.27), 78.7°(0.13), 87.3°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-75523 | 4.47 4.47 4.47
60 60 60
Li 0.000 0.000 0.000
Cd 0.750 0.750 0.750
As 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Er2InNi2.
The XRD pattern shows main peaks at: 25.2°(0.11), 29.8°(0.49), 34.6°(1.0), 35.5°(0.73), 38.2°(0.16), 39.1°(0.45), 39.4°(0.36), 46.9°(0.29), 50.6°(0.23), 57.4°(0.23), 60.2°(0.34), 62.0°(0.08), 65.1°(0.07), 66.0°(0.15), 71.5°(0.18), 74.7°(0.07), 79.0°(0.1), 84.0°(0.07), 84.7°(0.08), 85.... | JVASP-92623 | 3.61 3.88 7.34
105 90 90
Er 0.500 0.639 0.278
Er 0.500 0.361 0.722
In 0.000 0.000 0.000
Ni 0.000 0.802 0.604
Ni 0.000 0.198 0.396 |
Below is a description of a material. | The chemical formula is: Tc.
The XRD pattern shows main peaks at: 37.7°(0.09), 39.1°(0.45), 41.0°(0.38), 43.1°(1.0), 49.2°(0.23), 56.9°(0.05), 65.9°(0.09), 68.1°(0.24), 82.7°(0.27), 84.1°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-194400 | 2.75 2.75 8.80
90 90 120
Tc 0.000 0.000 0.000
Tc 0.333 0.667 0.250
Tc 0.000 0.000 0.500
Tc 0.667 0.333 0.750 |
Below is a description of a material. | The chemical formula is: MoSe.
The XRD pattern shows main peaks at: 40.3°(1.0), 58.4°(0.15), 73.3°(0.34), 87.2°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-127510 | 3.16 3.16 3.16
90 90 90
Mo 0.500 0.500 0.500
Se 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: TiNbMoW.
The XRD pattern shows main peaks at: 24.1°(0.13), 27.9°(0.12), 39.8°(1.0), 57.6°(0.16), 72.3°(0.33), 85.9°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-188906 | 4.53 4.53 4.53
120 120 90
Ti 0.370 0.870 0.740
Nb 0.120 0.120 0.240
Mo 0.870 0.370 0.740
W 0.620 0.620 0.240 |
Below is a description of a material. | The chemical formula is: BeReRh.
The XRD pattern shows main peaks at: 14.6°(0.63), 29.5°(0.24), 38.3°(0.25), 41.2°(1.0), 44.8°(0.17), 49.0°(0.48), 60.4°(0.15), 69.2°(0.16), 71.2°(0.06), 74.5°(0.18), 77.0°(0.1), 83.8°(0.12), 86.3°(0.16), 89.4°(0.1).
Generate atomic structure description with lattice lengths, angles, coo... | JVASP-71591 | 2.71 2.71 6.07
90 90 120
Be 0.000 0.000 0.009
Re 0.333 0.667 0.678
Rh 0.667 0.333 0.313 |
Below is a description of a material. | The chemical formula is: KDyC2O6.
The XRD pattern shows main peaks at: 14.5°(1.0), 17.2°(0.17), 18.5°(0.08), 22.5°(0.33), 23.1°(0.41), 27.7°(0.68), 28.9°(0.84), 31.6°(0.12), 34.8°(0.11), 35.4°(0.1), 35.8°(0.28), 37.5°(0.07), 41.8°(0.11), 43.0°(0.16), 44.2°(0.17), 44.7°(0.28), 46.3°(0.15), 47.2°(0.2), 49.0°(0.13), 58.8°... | JVASP-155020 | 6.38 6.38 6.87
76 76 97
K 0.124 0.876 0.750
K 0.876 0.124 0.250
Dy 0.595 0.405 0.750
Dy 0.405 0.595 0.250
C 0.610 0.856 0.741
C 0.144 0.390 0.759
C 0.390 0.144 0.259
C 0.856 0.610 0.241
O 0.941 0.400 0.783
O 0.600 0.059 0.717
O 0.703 0.468 0.393
O 0.532 0.297 0.107
O 0.297 0.532 0.607
O 0.212 0.248 0.885
O 0.788 0.752 ... |
Below is a description of a material. | The chemical formula is: BeNbRu.
The XRD pattern shows main peaks at: 16.3°(0.19), 33.0°(0.2), 34.7°(0.21), 38.6°(1.0), 48.6°(0.31), 50.4°(0.08), 62.2°(0.17), 62.7°(0.11), 72.3°(0.11), 75.7°(0.13), 79.8°(0.12), 82.7°(0.07), 84.1°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-68511 | 2.98 2.98 5.43
90 90 120
Be 0.000 0.000 0.024
Nb 0.333 0.667 0.683
Ru 0.667 0.333 0.293 |
Below is a description of a material. | The chemical formula is: ZnBN2.
The XRD pattern shows main peaks at: 17.8°(1.0), 34.7°(0.52), 36.1°(0.3), 39.3°(0.77), 49.9°(0.46), 50.9°(0.5), 53.4°(0.25), 55.3°(0.06), 63.1°(0.23), 67.0°(0.27), 73.2°(0.13), 76.1°(0.08), 77.7°(0.08), 83.6°(0.07), 84.4°(0.1), 86.4°(0.16).
Generate atomic structure description with latt... | JVASP-135771 | 2.59 2.59 4.98
90 90 90
Zn 0.500 0.500 0.431
B 0.000 0.000 0.918
N 0.000 0.000 0.629
N 0.500 0.500 0.033 |
Below is a description of a material. | The chemical formula is: ZrO7.
The XRD pattern shows main peaks at: 16.5°(1.0), 21.2°(0.42), 22.3°(0.38), 23.2°(0.33), 27.4°(0.59), 29.7°(0.32), 30.4°(0.25), 31.0°(0.26), 33.3°(0.59), 34.5°(0.25), 39.2°(0.25), 40.9°(0.17), 43.2°(0.18), 45.0°(0.1), 45.5°(0.3), 47.3°(0.1), 48.4°(0.09), 50.0°(0.13), 51.7°(0.16), 56.5°(0.1... | JVASP-124627 | 4.45 3.87 5.72
83 70 83
Zr 0.181 0.263 0.800
O -0.266 0.217 0.704
O 0.099 0.688 0.326
O 0.831 0.656 0.298
O 0.824 0.384 0.155
O 0.262 0.754 0.701
O 0.385 0.079 0.093
O 0.684 0.958 0.924 |
Below is a description of a material. | The chemical formula is: O.
The XRD pattern shows main peaks at: 28.8°(0.65), 29.1°(0.25), 33.4°(1.0), 35.1°(0.45), 43.1°(0.1), 46.2°(0.1), 56.7°(0.06), 58.7°(0.06), 61.9°(0.11), 70.2°(0.06), 75.4°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-25109 | 3.34 3.34 4.20
116 116 99
O 0.011 0.011 0.154
O 0.989 0.989 0.846 |
Below is a description of a material. | The chemical formula is: BeMo4Os.
The XRD pattern shows main peaks at: 21.3°(0.29), 24.7°(0.25), 35.1°(0.22), 41.5°(1.0), 43.4°(0.45), 55.5°(0.07), 57.0°(0.1), 63.1°(0.08), 67.4°(0.32), 74.3°(0.25), 88.8°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-71159 | 5.11 5.11 5.11
60 60 60
Be 0.000 0.000 0.000
Mo 0.121 0.626 0.626
Mo 0.626 0.626 0.626
Mo 0.626 0.121 0.626
Mo 0.626 0.626 0.121
Os 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: Mg6NbW.
The XRD pattern shows main peaks at: 16.2°(0.41), 16.9°(1.0), 24.7°(0.24), 25.1°(0.21), 28.6°(0.11), 29.8°(0.15), 34.1°(0.41), 37.5°(0.27), 37.9°(0.52), 39.0°(0.55), 41.3°(0.23), 48.2°(0.17), 48.9°(0.16), 51.5°(0.21), 59.3°(0.09), 62.7°(0.09), 67.8°(0.09), 68.6°(0.15), 72.3°(0.1), 74.9°... | JVASP-92854 | 6.24 6.24 4.80
90 90 122
Mg 0.184 0.834 0.250
Mg 0.666 0.316 0.250
Mg 0.669 0.831 0.250
Mg 0.318 0.668 0.750
Mg 0.832 0.182 0.750
Mg 0.829 0.671 0.750
Nb 0.191 0.309 0.250
W 0.311 0.189 0.750 |
Below is a description of a material. | The chemical formula is: VOF3.
The XRD pattern shows main peaks at: 15.9°(0.49), 19.8°(1.0), 23.7°(0.22), 24.6°(0.47), 25.0°(0.48), 25.6°(0.77), 33.6°(0.21), 37.3°(0.11), 37.9°(0.11), 40.1°(0.28), 41.5°(0.36), 42.4°(0.22), 43.7°(0.11), 45.8°(0.09), 49.1°(0.14), 53.3°(0.13), 54.9°(0.18), 56.9°(0.11), 57.7°(0.07), 69.9°(... | JVASP-142054 | 5.10 5.56 9.40
90 90 90
V 0.586 0.674 0.876
V 0.914 0.674 0.376
V 0.086 0.326 0.624
V 0.414 0.326 0.124
O 0.163 0.198 0.058
O 0.663 0.802 0.442
O 0.337 0.198 0.558
O 0.837 0.802 0.942
F 0.709 0.547 0.712
F 0.896 0.088 0.686
F 0.134 0.654 0.545
F 0.866 0.346 0.455
F 0.791 0.547 0.212
F 0.604 0.088 0.186
F 0.291 0.453 0.... |
Below is a description of a material. | The chemical formula is: SnI.
The XRD pattern shows main peaks at: 24.8°(1.0), 29.3°(0.3), 35.4°(0.41), 38.8°(0.64), 46.6°(0.37), 50.9°(0.14), 57.5°(0.18), 59.9°(0.17), 65.8°(0.27), 66.8°(0.13), 72.4°(0.1), 82.4°(0.08), 83.3°(0.07), 85.6°(0.06), 87.7°(0.07), 88.6°(0.13).
Generate atomic structure description with latti... | JVASP-135188 | 3.59 3.59 6.09
90 90 90
Sn 0.000 0.000 0.250
I 0.000 0.000 0.750 |
Below is a description of a material. | The chemical formula is: Na3Ni2SbO6.
The XRD pattern shows main peaks at: 16.7°(0.83), 19.9°(0.09), 22.2°(0.08), 25.5°(0.05), 33.9°(0.33), 35.3°(0.48), 40.5°(1.0), 44.1°(0.09), 52.7°(0.14), 57.6°(0.27), 59.8°(0.31), 68.4°(0.07), 74.7°(0.12), 87.7°(0.06).
Generate atomic structure description with lattice lengths, angle... | JVASP-39525 | 5.36 5.36 5.61
99 99 119
Na 0.500 0.500 0.500
Na 0.176 0.824 0.500
Na 0.824 0.176 0.500
Ni 0.334 0.666 1.000
Ni 0.666 0.334 1.000
Sb 0.000 0.000 0.000
O 0.068 0.389 0.205
O 0.252 0.252 0.794
O 0.748 0.748 0.206
O 0.389 0.068 0.205
O 0.611 0.932 0.795
O 0.932 0.611 0.795 |
Below is a description of a material. | The chemical formula is: HfFe2Ge2.
The XRD pattern shows main peaks at: 24.6°(0.17), 32.4°(0.39), 36.3°(1.0), 37.5°(0.99), 46.5°(0.6), 53.1°(0.36), 60.3°(0.48), 61.1°(0.05), 67.8°(0.23), 73.2°(0.26), 77.2°(0.07), 79.4°(0.11), 80.2°(0.21), 88.8°(0.05).
Generate atomic structure description with lattice lengths, angles, ... | JVASP-186458 | 5.54 5.54 5.54
138 138 59
Hf -0.000 -0.000 0.000
Fe 0.750 0.250 0.500
Fe 0.250 0.750 0.500
Ge 0.374 0.374 -0.000
Ge 0.626 0.626 0.000 |
Below is a description of a material. | The chemical formula is: BeTl2Br.
The XRD pattern shows main peaks at: 9.5°(0.46), 28.7°(1.0), 33.3°(0.82), 38.6°(0.41), 39.9°(0.13), 47.9°(0.09), 48.9°(0.35), 55.8°(0.21), 56.8°(0.22), 64.0°(0.3), 66.5°(0.21), 83.7°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-68621 | 3.30 3.30 9.31
90 90 90
Be 0.000 0.000 0.530
Tl 0.000 0.000 0.004
Tl 0.500 0.500 0.303
Br 0.500 0.500 0.663 |
Below is a description of a material. | The chemical formula is: VInPt.
The XRD pattern shows main peaks at: 25.2°(0.15), 29.2°(0.67), 41.8°(1.0), 51.8°(0.19), 60.6°(0.16), 68.7°(0.23), 76.3°(0.32).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-40829 | 4.32 4.32 4.32
60 60 60
V 0.250 0.250 0.250
In 0.000 1.000 -0.000
Pt 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Be2PCl.
The XRD pattern shows main peaks at: 31.7°(0.39), 32.1°(1.0), 39.7°(0.44), 51.7°(0.33), 56.7°(0.24), 57.5°(0.14), 67.3°(0.2), 80.1°(0.06), 85.0°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-71286 | 3.21 3.21 5.64
90 90 90
Be 0.000 0.000 0.858
Be 0.500 0.500 0.287
P 0.500 0.500 0.922
Cl 0.000 0.000 0.433 |
Below is a description of a material. | The chemical formula is: AsN3.
The XRD pattern shows main peaks at: 14.6°(1.0), 29.5°(0.41), 30.1°(0.31), 32.8°(0.12), 33.8°(0.17), 34.7°(0.21), 35.4°(0.36), 36.2°(0.1), 37.5°(0.1), 38.2°(0.24), 39.4°(0.14), 40.8°(0.09), 43.3°(0.07), 46.1°(0.07), 48.9°(0.1), 51.7°(0.12), 54.3°(0.08), 59.5°(0.08), 61.3°(0.07), 62.5°(0.0... | JVASP-115425 | 2.98 3.36 6.36
74 87 111
As 0.230 -0.046 0.055
N -0.050 0.685 0.677
N 0.873 0.919 0.538
N 0.563 0.593 0.181 |
Below is a description of a material. | The chemical formula is: LaVO4.
The XRD pattern shows main peaks at: 18.0°(0.25), 23.8°(1.0), 30.0°(0.09), 32.0°(0.62), 33.9°(0.2), 38.6°(0.13), 43.0°(0.09), 45.9°(0.12), 47.3°(0.51), 48.7°(0.15), 54.9°(0.12), 59.5°(0.17), 61.6°(0.11), 63.8°(0.05), 67.0°(0.13), 70.3°(0.13), 80.4°(0.11), 81.4°(0.06), 82.2°(0.11).
Genera... | JVASP-152659 | 6.23 6.23 6.23
106 106 116
La 0.875 0.125 0.250
La 0.125 0.875 0.750
V 0.625 0.375 0.750
V 0.375 0.625 0.250
O 0.792 0.364 0.571
O 0.792 0.721 0.929
O 0.721 0.792 0.429
O 0.364 0.792 0.071
O 0.208 0.279 0.071
O 0.208 0.636 0.429
O 0.279 0.208 0.571
O 0.636 0.208 0.929 |
Below is a description of a material. | The chemical formula is: Sc2AlCd.
The XRD pattern shows main peaks at: 22.3°(0.36), 25.8°(0.06), 36.8°(1.0), 43.4°(0.2), 53.0°(0.17), 58.1°(0.07), 66.2°(0.35), 70.8°(0.06), 78.2°(0.11), 82.5°(0.05), 89.7°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-39121 | 4.89 4.89 4.89
60 60 60
Sc 0.000 0.000 0.000
Sc 0.500 0.500 0.500
Al 0.250 0.250 0.250
Cd 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: Tb8Cd.
The XRD pattern shows main peaks at: 29.2°(0.34), 29.9°(0.2), 32.4°(1.0), 34.2°(0.77), 51.4°(0.38), 62.1°(0.16), 63.2°(0.14), 84.7°(0.14), 85.7°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-130045 | 3.56 3.56 24.89
90 90 120
Tb 0.000 0.000 0.215
Tb 0.667 0.333 0.101
Tb 0.667 0.333 0.329
Tb 0.667 0.333 0.557
Tb 0.333 0.667 0.443
Tb 0.333 0.667 0.671
Tb 0.333 0.667 0.899
Tb 0.000 0.000 0.785
Cd 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: NiCN2.
The XRD pattern shows main peaks at: 19.2°(0.61), 33.7°(0.32), 35.1°(0.16), 39.1°(1.0), 52.5°(0.41), 60.3°(0.23), 63.9°(0.15), 74.2°(0.19), 84.0°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-56754 | 3.07 3.07 9.23
90 90 120
Ni 0.000 0.000 0.500
Ni 0.000 0.000 0.000
C 0.667 0.333 0.250
C 0.333 0.667 0.750
N 0.667 0.333 0.384
N 0.333 0.667 0.616
N 0.333 0.667 0.884
N 0.667 0.333 0.116 |
Below is a description of a material. | The chemical formula is: MgTaBe2.
The XRD pattern shows main peaks at: 12.7°(1.0), 25.7°(0.22), 31.9°(0.24), 34.5°(0.6), 38.9°(0.13), 41.4°(0.41), 45.8°(0.16), 47.7°(0.18), 51.2°(0.13), 53.2°(0.13), 61.6°(0.14), 63.0°(0.1), 66.7°(0.06), 68.2°(0.06), 72.3°(0.05), 76.6°(0.06), 77.3°(0.12), 80.0°(0.07), 81.6°(0.11), 88.7°... | JVASP-66958 | 2.80 2.80 6.94
90 90 90
Mg 0.000 0.000 0.461
Ta 0.500 0.500 0.797
Be 0.000 0.000 0.050
Be 0.500 0.500 0.192 |
Below is a description of a material. | The chemical formula is: Ba4TlRu.
The XRD pattern shows main peaks at: 25.9°(0.28), 30.5°(1.0), 31.9°(0.37), 45.8°(0.12), 48.7°(0.37), 53.3°(0.28), 60.2°(0.05), 62.7°(0.13), 63.5°(0.15), 72.9°(0.06), 75.1°(0.23), 86.8°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types... | JVASP-66443 | 6.87 6.87 6.87
60 60 60
Ba 0.127 0.624 0.624
Ba 0.624 0.624 0.624
Ba 0.624 0.127 0.624
Ba 0.624 0.624 0.127
Tl 0.000 0.000 0.000
Ru 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: LiRhO2.
The XRD pattern shows main peaks at: 19.0°(1.0), 34.3°(0.61), 36.1°(0.33), 38.5°(0.09), 42.7°(0.66), 47.1°(0.23), 57.6°(0.16), 60.3°(0.23), 63.8°(0.22), 71.3°(0.07), 76.7°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-1789 | 5.00 5.00 5.00
35 35 35
Li 0.500 0.500 0.500
Rh 0.000 0.000 0.000
O 0.743 0.743 0.743
O 0.257 0.257 0.257 |
Below is a description of a material. | The chemical formula is: AgCO2.
The XRD pattern shows main peaks at: 16.2°(1.0), 25.3°(0.59), 31.6°(0.97), 33.3°(0.79), 35.3°(0.73), 39.3°(0.28), 39.8°(0.47), 40.9°(0.33), 41.3°(0.29), 47.3°(0.11), 48.5°(0.16), 49.1°(0.13), 49.9°(0.3), 51.4°(0.29), 52.0°(0.11), 54.7°(0.18), 55.9°(0.14), 60.0°(0.22), 62.1°(0.13), 68.4°(... | JVASP-141700 | 7.04 3.16 9.76
63 90 90
Ag 0.500 -0.022 0.855
Ag 0.000 -0.022 0.355
Ag 0.500 0.022 0.145
Ag -0.000 0.022 0.645
C 0.389 -0.000 0.500
C 0.111 -0.000 0.000
C 0.611 0.000 0.500
C 0.889 0.000 -0.000
O 0.190 -0.015 0.119
O 0.810 0.015 0.881
O 0.310 0.015 0.381
O 0.310 -0.015 0.619
O 0.190 0.015 0.881
O 0.690 0.015 0.381
O 0.... |
Below is a description of a material. | The chemical formula is: Nb2O3F.
The XRD pattern shows main peaks at: 23.9°(0.82), 25.2°(0.87), 35.0°(0.26), 36.1°(1.0), 39.9°(0.07), 49.0°(0.18), 50.5°(0.48), 51.8°(0.59), 55.9°(0.14), 57.8°(0.13), 63.5°(0.28), 65.5°(0.12), 70.8°(0.08), 71.4°(0.08), 73.0°(0.08), 74.0°(0.08), 76.3°(0.1), 84.2°(0.06), 86.3°(0.08), 88.1°... | JVASP-136603 | 2.85 5.13 5.13
87 90 90
Nb 0.000 0.014 0.014
Nb 0.500 0.482 0.482
O 0.500 0.218 0.218
O 0.000 0.286 0.718
O 0.000 0.718 0.286
F 0.500 0.782 0.782 |
Below is a description of a material. | The chemical formula is: Te2MoWS2.
The XRD pattern shows main peaks at: 2.5°(1.0), 4.9°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-28726 | 3.37 3.37 35.84
89 90 120
Te 0.333 0.666 0.719
Te 0.667 0.333 0.408
Te 0.667 0.333 0.513
Te 0.334 0.667 0.613
Mo 0.333 0.667 0.103
Mo 0.333 0.667 0.461
W 0.667 0.333 0.273
W 0.667 0.333 0.666
S 0.333 0.667 0.316
S 0.667 0.333 0.061
S 0.667 0.333 0.145
S 0.333 0.667 0.231 |
Below is a description of a material. | The chemical formula is: Al2FePd.
The XRD pattern shows main peaks at: 14.9°(0.09), 30.2°(0.34), 33.9°(0.11), 43.2°(1.0), 53.6°(0.11), 62.9°(0.12), 71.3°(0.08), 79.3°(0.23).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-190031 | 2.96 2.96 5.94
90 90 90
Fe 0.500 0.500 -0.000
Pd 0.500 0.500 0.500
Al 0.000 -0.000 0.777
Al -0.000 0.000 0.223 |
Below is a description of a material. | The chemical formula is: RbSbMoO6.
The XRD pattern shows main peaks at: 14.6°(0.43), 15.0°(0.18), 23.5°(0.06), 24.4°(0.17), 28.0°(0.63), 28.8°(1.0), 29.4°(0.41), 30.4°(0.43), 44.7°(0.14), 46.3°(0.1), 48.0°(0.1), 50.0°(0.44), 50.6°(0.11), 59.3°(0.05).
Generate atomic structure description with lattice lengths, angles, c... | JVASP-142776 | 7.30 7.30 7.30
120 117 91
Rb 0.090 0.883 0.707
Rb 0.824 0.117 0.207
Sb 0.506 -0.000 0.506
Sb 0.506 0.500 0.006
Mo 0.455 0.487 0.468
Mo 0.981 0.513 0.968
O 0.187 0.437 0.878
O 0.563 0.805 0.630
O 0.591 0.831 0.260
O 0.180 0.430 0.251
O 0.441 0.563 0.750
O 0.441 0.191 0.378
O 0.825 0.567 0.130
O 0.187 0.809 0.250
O 0.429... |
Below is a description of a material. | The chemical formula is: CaPr2S4.
The XRD pattern shows main peaks at: 14.5°(0.27), 20.7°(0.16), 25.3°(1.0), 33.0°(0.97), 39.1°(0.59), 47.3°(0.34).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-13262 | 7.46 7.46 7.46
109 109 109
Ca 0.625 0.375 0.250
Ca 0.875 0.125 0.750
Pr 0.122 0.750 0.872
Pr 0.250 0.622 0.372
Pr 0.378 0.250 0.628
Pr 0.750 0.878 0.128
S 0.001 0.857 0.503
S 0.499 0.002 0.856
S 0.143 0.146 0.144
S 0.357 0.501 0.003
S 0.646 0.643 0.644
S 0.502 0.999 0.356
S 0.854 0.498 0.997
S -0.002 0.354 0.497 |
Below is a description of a material. | The chemical formula is: CuRh2O4.
The XRD pattern shows main peaks at: 17.9°(0.32), 29.5°(0.17), 34.7°(1.0), 36.3°(0.28), 42.2°(0.25), 55.7°(0.28), 61.2°(0.42).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-163935 | 6.06 6.06 6.06
90 119 119
Cu 0.250 0.875 0.125
Cu 0.750 0.125 0.875
Rh 0.000 0.000 0.500
Rh 0.500 0.500 0.000
Rh 0.000 0.500 0.500
Rh 0.500 0.500 0.500
O 0.977 0.738 0.261
O 0.477 0.261 0.738
O 0.023 0.261 0.284
O 0.523 0.284 0.261
O 0.023 0.262 0.739
O 0.523 0.739 0.262
O 0.977 0.739 0.716
O 0.477 0.716 0.739 |
Below is a description of a material. | The chemical formula is: Be2PtPb.
The XRD pattern shows main peaks at: 25.7°(0.74), 29.1°(0.98), 39.2°(1.0), 41.7°(0.44), 49.6°(0.51), 52.8°(0.11), 60.4°(0.16), 61.4°(0.27), 66.7°(0.21), 68.4°(0.18), 69.4°(0.18), 74.4°(0.32), 84.3°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates an... | JVASP-68591 | 3.07 3.07 6.93
90 90 90
Be 0.000 0.000 0.658
Be 0.000 0.000 0.342
Pt 0.500 0.500 0.500
Pb 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: NaMg6W.
The XRD pattern shows main peaks at: 14.3°(1.0), 20.3°(0.5), 24.9°(0.37), 28.8°(0.48), 32.3°(0.2), 35.5°(0.92), 38.4°(0.36), 41.2°(0.46), 43.8°(0.13), 46.3°(0.18), 48.7°(0.12), 51.0°(0.21), 59.6°(0.28), 71.4°(0.21), 75.0°(0.09).
Generate atomic structure description with lattice lengths... | JVASP-93072 | 6.20 8.77 4.39
90 90 135
Na 0.250 0.375 0.250
Mg 0.750 0.375 0.250
Mg 0.750 0.875 0.250
Mg 0.250 0.104 0.750
Mg 0.250 0.646 0.750
Mg 0.709 0.104 0.750
Mg 0.791 0.646 0.750
W 0.250 0.875 0.250 |
Below is a description of a material. | The chemical formula is: Cd2P3Cl.
The XRD pattern shows main peaks at: 22.5°(0.28), 22.9°(0.48), 23.8°(0.45), 30.0°(0.23), 30.6°(1.0), 33.9°(0.47), 36.1°(0.09), 37.0°(0.17), 38.5°(0.11), 39.6°(0.09), 41.2°(0.14), 43.8°(0.1), 46.0°(0.16), 46.8°(0.17), 47.7°(0.15), 48.9°(0.16), 50.3°(0.09), 51.0°(0.13), 56.7°(0.14), 66.5... | JVASP-85715 | 6.08 6.08 7.62
82 97 83
Cd 0.898 0.405 0.796
Cd 0.405 0.898 0.704
Cd 0.102 0.595 0.204
Cd 0.595 0.102 0.296
P 0.335 0.570 0.531
P 0.570 0.335 0.969
P 0.665 0.430 0.469
P 0.430 0.665 0.031
P 0.303 0.303 0.750
P 0.697 0.697 0.250
Cl 0.866 0.866 0.750
Cl 0.134 0.134 0.250 |
Below is a description of a material. | The chemical formula is: Nb3SnH.
The XRD pattern shows main peaks at: 36.5°(1.0), 42.4°(0.5), 61.5°(0.3), 73.7°(0.36), 77.6°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-193592 | 4.26 4.26 4.26
90 90 90
H 0.500 0.500 0.500
Nb 0.500 0.000 0.500
Nb 0.000 0.500 0.500
Nb 0.500 0.500 0.000
Sn 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: NaTmS2.
The XRD pattern shows main peaks at: 13.4°(0.9), 26.7°(0.47), 27.8°(0.32), 32.0°(1.0), 34.9°(0.18), 41.6°(0.2), 45.4°(0.36), 46.4°(0.35), 48.5°(0.21), 55.8°(0.06), 57.5°(0.18), 66.9°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-1618 | 6.97 6.97 6.97
32 32 32
Na 0.500 0.500 0.500
Tm 0.000 0.000 0.000
S 0.258 0.258 0.258
S 0.742 0.742 0.742 |
Below is a description of a material. | The chemical formula is: PrGe2Pt.
The XRD pattern shows main peaks at: 10.6°(0.13), 19.9°(0.16), 20.6°(0.07), 25.5°(0.14), 32.1°(0.11), 32.6°(1.0), 33.5°(0.35), 34.2°(0.08), 36.3°(0.06), 38.1°(0.34), 40.4°(0.38), 42.9°(0.06), 48.1°(0.1), 48.5°(0.2), 52.5°(0.05), 53.4°(0.09), 56.7°(0.19), 58.5°(0.13), 68.7°(0.17).
Gener... | JVASP-146967 | 9.73 9.73 9.73
153 125 61
Pr 0.743 -0.000 0.743
Pr 0.257 0.000 0.257
Pr 0.297 0.797 0.500
Pr 0.703 0.203 0.500
Ge 0.926 0.426 0.500
Ge 0.074 0.574 0.500
Ge 0.426 0.426 -0.000
Ge 0.574 0.574 -0.000
Ge 0.348 0.198 0.150
Ge 0.652 0.802 0.850
Ge 0.047 0.198 0.850
Ge 0.953 0.802 0.150
Pt 0.603 0.351 0.252
Pt 0.397 0.649 0.7... |
Below is a description of a material. | The chemical formula is: Ga2P.
The XRD pattern shows main peaks at: 24.8°(0.17), 31.7°(0.1), 33.6°(1.0), 42.3°(0.08), 47.0°(0.08), 48.4°(0.67), 60.0°(0.16), 70.6°(0.07), 73.1°(0.06), 80.8°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-118383 | 3.79 2.66 5.95
90 108 90
Ga -0.186 0.000 -0.172
Ga 0.120 0.000 0.439
P 0.467 0.000 0.133 |
Below is a description of a material. | The chemical formula is: Mg2MnF2.
The XRD pattern shows main peaks at: 21.4°(0.14), 22.8°(1.0), 28.5°(0.24), 36.0°(0.58), 38.4°(0.62), 40.8°(0.93), 43.7°(0.3), 46.5°(0.06), 47.2°(0.27), 57.2°(0.29), 59.0°(0.25), 61.3°(0.41), 71.1°(0.18), 72.7°(0.06), 75.1°(0.1), 76.2°(0.2), 78.8°(0.05), 84.7°(0.06), 86.8°(0.08), 88.3°(... | JVASP-179373 | 5.20 5.20 5.20
129 129 74
Mg 0.750 0.250 0.500
Mg 0.250 0.750 0.500
Mn 0.000 0.000 0.000
F 0.720 0.720 0.000
F 0.280 0.280 -0.000 |
Below is a description of a material. | The chemical formula is: NaLaS2.
The XRD pattern shows main peaks at: 13.5°(0.58), 24.8°(0.42), 26.0°(0.25), 27.1°(0.08), 30.5°(1.0), 33.4°(0.16), 40.4°(0.14), 42.9°(0.39), 44.3°(0.36), 45.2°(0.19), 53.5°(0.19), 55.9°(0.06), 63.4°(0.12), 70.9°(0.16).
Generate atomic structure description with lattice lengths, angles, c... | JVASP-101455 | 7.02 7.02 7.02
34 34 34
Na 0.500 0.500 0.500
La 0.000 0.000 0.000
S 0.254 0.254 0.254
S 0.746 0.746 0.746 |
Below is a description of a material. | The chemical formula is: CoAs.
The XRD pattern shows main peaks at: 28.9°(0.1), 34.0°(1.0), 46.4°(0.9), 51.2°(0.65), 62.9°(0.29), 71.6°(0.23), 75.2°(0.07), 85.3°(0.2).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-4873 | 3.57 6.18 5.05
90 90 90
Co 0.000 0.000 0.500
Co 0.000 0.000 0.000
Co 0.500 0.500 0.500
Co 0.500 0.500 0.000
As 0.500 0.833 0.250
As 0.500 0.167 0.750
As 0.000 0.333 0.250
As 0.000 0.667 0.750 |
Below is a description of a material. | The chemical formula is: HoSi2Au2.
The XRD pattern shows main peaks at: 17.6°(0.2), 22.5°(0.12), 29.4°(0.07), 33.8°(0.12), 34.4°(1.0), 35.6°(0.19), 42.0°(0.36), 45.9°(0.07), 46.8°(0.12), 56.2°(0.21), 60.9°(0.12), 63.2°(0.17), 71.9°(0.25), 72.6°(0.1).
Generate atomic structure description with lattice lengths, angles, c... | JVASP-86798 | 4.30 4.30 5.89
111 111 90
Ho 0.000 0.000 0.000
Si 0.386 0.386 0.773
Si 0.614 0.614 0.227
Au 0.750 0.250 0.500
Au 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: MgBIr.
The XRD pattern shows main peaks at: 19.3°(0.35), 21.5°(0.1), 27.0°(1.0), 28.1°(0.19), 34.4°(0.16), 38.9°(0.4), 39.3°(0.82), 42.8°(0.21), 44.6°(0.1), 49.0°(0.31), 51.6°(0.11), 52.0°(0.2), 56.5°(0.29), 59.8°(0.12), 63.9°(0.1), 71.2°(0.15), 84.4°(0.08).
Generate atomic structure descriptio... | JVASP-86801 | 5.30 5.30 9.51
90 90 120
Mg 0.000 0.500 0.667
Mg 0.000 0.000 0.833
Mg 0.000 0.000 0.500
Mg 0.000 0.000 0.167
Mg 0.500 0.500 0.333
Mg 0.500 0.000 0.000
B 0.398 0.795 0.500
B 0.398 0.602 0.833
B 0.795 0.398 0.167
B 0.602 0.398 0.833
B 0.602 0.205 0.500
B 0.205 0.602 0.167
Ir 0.500 0.500 0.046
Ir 0.500 0.000 0.712
Ir 0.50... |
Below is a description of a material. | The chemical formula is: LaNi2Sn2.
The XRD pattern shows main peaks at: 28.1°(0.1), 29.4°(0.1), 33.2°(1.0), 40.1°(0.54), 45.7°(0.16), 49.2°(0.16), 53.0°(0.25), 58.0°(0.17), 65.3°(0.13), 68.5°(0.22), 76.8°(0.07), 82.4°(0.07), 86.6°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates an... | JVASP-151439 | 4.50 4.50 10.16
90 90 90
La 0.250 0.250 0.761
La 0.750 0.750 0.239
Ni 0.750 0.250 0.000
Ni 0.250 0.750 0.000
Ni 0.250 0.250 0.372
Ni 0.750 0.750 0.628
Sn 0.750 0.250 0.500
Sn 0.250 0.750 0.500
Sn 0.250 0.250 0.124
Sn 0.750 0.750 0.876 |
Below is a description of a material. | The chemical formula is: AcF3.
The XRD pattern shows main peaks at: 25.9°(1.0), 26.4°(0.26), 31.6°(0.32), 41.6°(0.59), 45.3°(0.23), 46.3°(0.23), 52.9°(0.32), 54.4°(0.06), 64.2°(0.09), 66.0°(0.07), 66.7°(0.16), 72.1°(0.07), 73.4°(0.1), 74.1°(0.06), 75.0°(0.06), 81.1°(0.16), 89.4°(0.08).
Generate atomic structure descrip... | JVASP-37945 | 4.41 4.41 4.41
125 125 80
Ac 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: CaRuO3.
The XRD pattern shows main peaks at: 23.1°(0.58), 32.0°(0.24), 32.9°(1.0), 33.6°(0.22), 47.2°(0.27), 52.0°(0.09), 53.2°(0.16), 57.7°(0.16), 58.3°(0.11), 59.7°(0.25), 69.0°(0.12), 73.0°(0.06), 78.5°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates an... | JVASP-23511 | 5.33 5.59 7.68
90 90 90
Ca 0.017 0.439 0.250
Ca 0.517 0.061 0.750
Ca 0.483 0.939 0.250
Ca 0.983 0.561 0.750
Ru 0.000 0.000 0.000
Ru 0.500 0.500 0.000
Ru 0.500 0.500 0.500
Ru 0.000 0.000 0.500
O 0.600 0.530 0.250
O 0.100 0.970 0.750
O 0.305 0.201 0.050
O 0.805 0.299 0.950
O 0.195 0.701 0.450
O 0.805 0.299 0.550
O 0.695 ... |
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