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: Nd12Co6Sn.
The XRD pattern shows main peaks at: 28.3°(0.48), 31.1°(0.57), 33.7°(1.0), 36.1°(0.19), 46.5°(0.14), 53.6°(0.37), 55.3°(0.13), 57.0°(0.39).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-26964 | 8.63 8.63 8.63
109 109 109
Nd 0.888 0.695 0.193
Nd 0.112 0.305 0.807
Nd 0.498 0.305 0.193
Nd 0.695 0.193 0.888
Nd 0.193 0.888 0.695
Nd 0.807 0.112 0.305
Nd 0.502 0.695 0.807
Nd 0.807 0.502 0.695
Nd 0.305 0.807 0.112
Nd 0.193 0.498 0.305
Nd 0.695 0.807 0.502
Nd 0.305 0.193 0.498
Co 0.500 0.388 0.888
Co 0.500 0.612 0.112... |
Below is a description of a material. | The chemical formula is: CaFeO2.
The XRD pattern shows main peaks at: 28.1°(0.14), 33.1°(0.31), 36.8°(1.0), 47.6°(0.38), 56.1°(0.06), 58.0°(0.11), 61.6°(0.41), 68.5°(0.07), 69.5°(0.11), 78.2°(0.15), 79.2°(0.05), 81.3°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-168013 | 3.18 5.41 5.41
90 90 90
Ca 0.500 0.500 -0.000
Ca 0.500 -0.000 0.500
Fe 0.000 0.500 0.500
Fe 0.000 -0.000 0.000
O 0.000 0.750 0.250
O -0.000 0.750 0.750
O 0.000 0.250 0.750
O -0.000 0.250 0.250 |
Below is a description of a material. | The chemical formula is: H2W.
The XRD pattern shows main peaks at: 33.2°(0.23), 35.3°(0.38), 37.7°(1.0), 38.0°(0.51), 49.2°(0.16), 59.0°(0.1), 59.7°(0.19), 65.0°(0.18), 70.7°(0.1), 71.3°(0.2), 72.4°(0.16), 73.2°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-151787 | 3.13 5.09 5.35
90 90 90
H 0.250 0.891 0.423
H 0.750 0.609 0.923
H 0.750 0.109 0.577
H 0.250 0.391 0.077
H 0.250 0.036 0.843
H 0.750 0.464 0.343
H 0.750 0.964 0.157
H 0.250 0.536 0.657
W 0.750 0.728 0.585
W 0.250 0.772 0.085
W 0.250 0.272 0.415
W 0.750 0.228 0.915 |
Below is a description of a material. | The chemical formula is: K5Bi4.
The XRD pattern shows main peaks at: 14.4°(0.22), 15.2°(0.32), 17.6°(1.0), 18.2°(0.19), 19.7°(0.29), 23.8°(0.15), 26.0°(0.26), 26.7°(0.15), 28.0°(0.36), 31.5°(0.81), 32.1°(0.38), 33.0°(0.14), 34.6°(0.21), 36.1°(0.13), 36.5°(0.15), 38.0°(0.11), 39.5°(0.13), 40.2°(0.14), 46.7°(0.11), 47.9°... | JVASP-100276 | 6.85 6.85 11.65
70 70 48
K 0.907 0.907 0.387
K 0.093 0.093 0.613
K 0.246 0.246 0.166
K 0.754 0.754 0.834
K 0.000 0.000 0.000
Bi 0.614 0.614 0.392
Bi 0.386 0.386 0.608
Bi 0.547 0.547 0.168
Bi 0.453 0.453 0.832 |
Below is a description of a material. | The chemical formula is: MgTi2O4.
The XRD pattern shows main peaks at: 18.1°(0.15), 18.5°(0.87), 21.3°(0.07), 35.0°(0.21), 35.7°(0.12), 36.6°(0.14), 37.5°(0.14), 42.9°(1.0), 43.4°(0.44), 61.1°(0.15), 62.6°(0.52), 63.4°(0.12), 77.9°(0.12), 79.9°(0.11).
Generate atomic structure description with lattice lengths, angles, ... | JVASP-59884 | 5.87 5.94 5.94
61 60 60
Mg 0.000 0.000 0.000
Mg 0.500 0.000 0.000
Ti -0.000 0.500 0.000
Ti -0.000 0.500 0.500
Ti 0.000 -0.000 0.500
Ti 0.500 0.500 0.500
O 0.771 0.253 0.253
O 0.757 0.747 0.240
O 0.224 0.253 0.253
O 0.243 0.760 0.253
O 0.776 0.747 0.747
O 0.243 0.253 0.760
O 0.757 0.240 0.747
O 0.229 0.747 0.747 |
Below is a description of a material. | The chemical formula is: YbMo.
The XRD pattern shows main peaks at: 26.1°(0.09), 37.3°(1.0), 53.8°(0.16), 67.2°(0.33), 79.5°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-127526 | 3.41 3.41 3.41
90 90 90
Yb 0.000 0.000 0.000
Mo 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: LiInP.
The XRD pattern shows main peaks at: 22.8°(0.16), 25.1°(0.54), 34.1°(1.0), 44.1°(0.29), 46.5°(0.08), 50.2°(0.12), 51.4°(0.08), 53.6°(0.14), 56.9°(0.21), 66.1°(0.16), 71.8°(0.06), 74.7°(0.19), 78.2°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-183150 | 4.10 4.10 3.90
90 90 119
Li 0.333 0.667 0.500
In 0.000 -0.000 0.000
P 0.667 0.333 0.500 |
Below is a description of a material. | The chemical formula is: CaBeSb.
The XRD pattern shows main peaks at: 16.8°(0.47), 26.1°(1.0), 34.0°(0.22), 35.2°(0.56), 35.7°(0.94), 39.3°(0.23), 49.8°(0.3), 50.7°(0.19), 53.8°(0.09), 57.9°(0.23), 62.4°(0.13), 63.5°(0.32), 64.4°(0.1), 67.4°(0.15), 74.1°(0.06), 75.6°(0.06), 84.5°(0.06), 85.2°(0.08), 87.6°(0.05), 89.0°(... | JVASP-67017 | 5.85 5.85 5.85
144 144 51
Ca 0.334 0.334 0.000
Be 0.038 0.038 0.000
Sb 0.627 0.627 0.000 |
Below is a description of a material. | The chemical formula is: Cu3Br.
The XRD pattern shows main peaks at: 39.8°(1.0), 46.3°(0.48), 67.6°(0.26), 81.4°(0.32), 85.8°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-126958 | 3.92 3.92 3.92
90 90 90
Cu 0.000 0.500 0.500
Cu 0.500 0.000 0.500
Cu 0.500 0.500 0.000
Br 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Mg6WC.
The XRD pattern shows main peaks at: 15.7°(0.49), 17.7°(1.0), 19.5°(0.25), 25.2°(0.23), 26.5°(0.81), 28.6°(0.34), 34.9°(0.46), 35.9°(0.31), 37.6°(0.54), 39.7°(0.28), 41.2°(0.64), 43.3°(0.14), 43.8°(0.21), 47.9°(0.18), 49.7°(0.15), 53.8°(0.12), 54.6°(0.19), 59.3°(0.12), 73.7°(0.13), 79.4°... | JVASP-92924 | 6.29 5.59 4.54
90 90 116
Mg 0.617 0.303 0.250
Mg 0.617 0.815 0.250
Mg 0.317 0.158 0.750
Mg 0.317 0.658 0.750
Mg 0.845 0.173 0.750
Mg 0.872 0.686 0.750
W 0.125 0.313 0.250
C 0.290 0.895 0.250 |
Below is a description of a material. | The chemical formula is: BeC2.
The XRD pattern shows main peaks at: 31.8°(0.47), 34.9°(1.0), 37.8°(0.48), 41.8°(0.35), 52.4°(0.29), 61.6°(0.12), 64.4°(0.07), 67.3°(0.05), 72.8°(0.14), 73.7°(0.07), 83.3°(0.09), 85.9°(0.1), 89.3°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and a... | JVASP-35953 | 3.37 3.37 5.14
90 90 90
Be 0.500 0.500 0.000
Be 0.000 0.000 0.500
C 0.869 0.869 0.000
C 0.631 0.369 0.500
C 0.131 0.131 0.000
C 0.369 0.631 0.500 |
Below is a description of a material. | The chemical formula is: VGaFeOs.
The XRD pattern shows main peaks at: 26.1°(0.32), 30.2°(0.14), 43.3°(1.0), 51.2°(0.15), 62.9°(0.15), 79.4°(0.33).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-190202 | 4.18 4.18 4.18
60 60 60
Os 0.500 0.500 0.500
Fe -0.000 -0.000 -0.000
Ga 0.250 0.250 0.250
V 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: ZrMn6Sn6.
The XRD pattern shows main peaks at: 27.6°(0.19), 30.0°(0.09), 33.2°(1.0), 35.7°(0.34), 38.5°(0.24), 39.0°(0.78), 40.4°(0.26), 43.7°(0.72), 45.0°(0.2), 45.3°(0.18), 49.6°(0.13), 53.2°(0.15), 59.3°(0.2), 61.0°(0.16), 63.2°(0.19), 67.6°(0.13), 69.7°(0.3), 83.7°(0.18), 86.0°(0.1).
Genera... | JVASP-153404 | 5.40 5.40 8.94
90 90 119
Zr 0.000 0.000 0.500
Mn 0.500 -0.000 0.252
Mn 0.000 0.500 0.252
Mn 0.500 0.500 0.252
Mn 0.000 0.500 0.748
Mn 0.500 -0.000 0.748
Mn 0.500 0.500 0.748
Sn 0.333 0.667 0.500
Sn 0.667 0.333 0.500
Sn 0.333 0.667 0.000
Sn 0.667 0.333 0.000
Sn 0.000 0.000 0.173
Sn 0.000 0.000 0.827 |
Below is a description of a material. | The chemical formula is: SmBi3.
The XRD pattern shows main peaks at: 29.6°(0.32), 30.0°(0.22), 33.5°(1.0), 42.6°(0.17), 53.2°(0.18), 55.1°(0.25), 62.1°(0.23), 64.4°(0.15), 80.1°(0.08), 85.6°(0.1), 87.1°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-37279 | 6.89 6.89 6.04
90 90 120
Sm 0.667 0.333 0.750
Sm 0.333 0.667 0.250
Bi 0.827 0.654 0.250
Bi 0.346 0.173 0.250
Bi 0.827 0.173 0.250
Bi 0.173 0.346 0.750
Bi 0.654 0.827 0.750
Bi 0.173 0.827 0.750 |
Below is a description of a material. | The chemical formula is: BaTiF6.
The XRD pattern shows main peaks at: 18.4°(0.2), 23.9°(1.0), 28.2°(0.62), 37.2°(0.2), 39.0°(0.43), 42.0°(0.1), 44.8°(0.7), 48.9°(0.16), 52.3°(0.08), 63.1°(0.1), 63.9°(0.23), 76.8°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-2775 | 4.93 4.93 4.93
97 97 97
Ba 0.000 0.000 0.000
Ti 0.500 0.500 0.500
F 0.423 0.774 0.774
F 0.774 0.774 0.423
F 0.577 0.226 0.226
F 0.226 0.577 0.226
F 0.226 0.226 0.577
F 0.774 0.423 0.774 |
Below is a description of a material. | The chemical formula is: Ba4YPd.
The XRD pattern shows main peaks at: 15.2°(0.14), 25.0°(0.19), 29.4°(1.0), 30.8°(0.52), 35.7°(0.1), 44.1°(0.08), 46.9°(0.38), 51.4°(0.32), 60.3°(0.13), 61.1°(0.22), 72.1°(0.24), 75.6°(0.06), 83.1°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-64330 | 7.12 7.12 7.12
60 60 60
Ba 0.128 0.624 0.624
Ba 0.624 0.624 0.624
Ba 0.624 0.128 0.624
Ba 0.624 0.624 0.128
Y 0.000 0.000 0.000
Pd 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: Be2TcSn.
The XRD pattern shows main peaks at: 28.0°(1.0), 33.1°(0.35), 40.1°(0.51), 43.9°(0.73), 52.9°(0.37), 58.0°(0.17), 65.6°(0.2), 68.4°(0.18), 75.5°(0.32), 76.6°(0.13), 83.4°(0.12), 86.5°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-71407 | 3.18 3.18 5.41
90 90 90
Be 0.000 0.000 0.688
Be 0.000 0.000 0.312
Tc 0.500 0.500 0.500
Sn 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: BaTiO2.
The XRD pattern shows main peaks at: 14.0°(0.31), 28.2°(0.58), 31.6°(1.0), 40.3°(0.68), 42.9°(0.09), 49.9°(0.33), 52.1°(0.27), 58.3°(0.16), 60.3°(0.07), 66.0°(0.19), 67.9°(0.22), 73.2°(0.17), 82.0°(0.18), 87.1°(0.1).
Generate atomic structure description with lattice lengths, angles, co... | JVASP-120867 | 3.16 3.16 6.34
90 90 90
Ba 0.000 0.000 0.318
Ti 0.500 0.500 0.808
O 0.000 0.000 0.775
O 0.500 0.500 0.099 |
Below is a description of a material. | The chemical formula is: YbEr3.
The XRD pattern shows main peaks at: 29.4°(0.08), 30.4°(0.43), 31.1°(0.35), 33.3°(1.0), 37.7°(0.21), 43.3°(0.07), 49.7°(0.1), 52.1°(0.25), 61.9°(0.3), 63.2°(0.15), 86.3°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-123265 | 3.51 3.51 11.50
90 90 120
Yb 0.000 0.000 0.000
Er 0.333 0.667 0.260
Er 0.000 0.000 0.500
Er 0.667 0.333 0.740 |
Below is a description of a material. | The chemical formula is: KFeCuSe2.
The XRD pattern shows main peaks at: 12.9°(0.79), 23.3°(0.21), 29.8°(1.0), 31.9°(0.06), 34.5°(0.41), 41.5°(0.68), 45.7°(0.5), 51.5°(0.41), 53.3°(0.11), 55.5°(0.34), 66.6°(0.15), 72.8°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types... | JVASP-176485 | 3.97 3.97 7.43
74 74 90
K 0.000 -0.000 -0.000
Fe 0.250 0.750 0.500
Cu 0.750 0.250 0.500
Se 0.359 0.359 0.281
Se 0.641 0.641 0.719 |
Below is a description of a material. | The chemical formula is: ZnIn2Se4.
The XRD pattern shows main peaks at: 21.6°(0.12), 26.7°(1.0), 34.6°(0.14), 38.3°(0.09), 44.0°(0.26), 44.4°(0.46), 52.2°(0.3), 52.9°(0.12), 64.0°(0.08), 71.2°(0.09), 81.2°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-8795 | 5.82 5.82 7.05
114 114 89
Zn 0.000 0.000 0.000
In 0.250 0.750 0.500
In 0.750 0.250 0.500
Se 0.157 0.157 0.785
Se 0.372 0.843 0.215
Se 0.628 0.628 0.785
Se 0.843 0.372 0.215 |
Below is a description of a material. | The chemical formula is: MgSnO3.
The XRD pattern shows main peaks at: 22.8°(0.27), 23.4°(0.55), 32.9°(1.0), 33.7°(0.18), 40.4°(0.09), 41.1°(0.1), 46.5°(0.11), 47.9°(0.18), 52.7°(0.14), 53.6°(0.15), 54.5°(0.06), 58.1°(0.11), 58.7°(0.23), 59.8°(0.23), 68.9°(0.12), 79.5°(0.06).
Generate atomic structure description with l... | JVASP-46099 | 5.32 5.44 7.82
90 90 90
Mg 0.998 0.958 0.750
Mg 0.502 0.458 0.750
Mg 0.498 0.542 0.250
Mg 0.002 0.042 0.250
Sn 0.000 0.500 0.000
Sn 0.000 0.500 0.500
Sn 0.500 0.000 0.500
Sn 0.500 0.000 0.000
O 0.830 0.825 0.072
O 0.670 0.325 0.428
O 0.670 0.325 0.072
O 0.635 0.089 0.750
O 0.365 0.911 0.250
O 0.170 0.175 0.572
O 0.330 ... |
Below is a description of a material. | The chemical formula is: NaBH4.
The XRD pattern shows main peaks at: 25.9°(0.37), 29.5°(1.0), 30.9°(0.41), 42.2°(0.32), 43.2°(0.61), 50.1°(0.25), 51.9°(0.11), 53.2°(0.29), 61.2°(0.07), 69.3°(0.11), 70.1°(0.12), 72.3°(0.11), 77.8°(0.17), 79.9°(0.07).
Generate atomic structure description with lattice lengths, angles, co... | JVASP-152430 | 4.29 4.29 5.79
90 90 90
Na 0.000 0.000 0.000
Na 0.500 0.500 0.500
B 0.000 0.000 0.500
B 0.500 0.500 0.000
H 0.000 0.766 0.379
H -0.000 0.234 0.379
H 0.766 -0.000 0.621
H 0.234 0.000 0.621
H 0.500 0.266 0.121
H 0.500 0.734 0.121
H 0.734 0.500 0.879
H 0.266 0.500 0.879 |
Below is a description of a material. | The chemical formula is: LiAuO.
The XRD pattern shows main peaks at: 13.9°(1.0), 18.6°(0.35), 19.8°(0.41), 23.3°(0.62), 27.3°(0.4), 28.1°(0.24), 31.5°(0.32), 33.9°(0.27), 36.9°(0.37), 40.5°(0.16), 43.0°(0.13), 44.6°(0.14), 45.2°(0.11), 47.0°(0.12), 47.7°(0.1), 49.2°(0.17), 50.0°(0.18), 55.6°(0.13), 60.1°(0.12), 65.9°(0... | JVASP-121308 | 6.35 6.35 4.76
90 90 90
Li 0.027 0.227 0.000
Au 0.324 -0.010 0.000
O -0.082 -0.005 0.000 |
Below is a description of a material. | The chemical formula is: BaTmFe4O7.
The XRD pattern shows main peaks at: 17.2°(0.19), 28.2°(0.66), 28.6°(0.33), 32.9°(0.51), 33.5°(1.0), 34.8°(0.26), 49.6°(0.17), 50.3°(0.28), 52.4°(0.16), 53.4°(0.15), 53.8°(0.28), 58.2°(0.34), 59.1°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates... | JVASP-133144 | 6.34 6.34 6.34
120 120 88
Ba 0.250 0.750 0.500
Tm 0.000 0.000 0.000
Fe 0.619 0.400 0.252
Fe 0.149 0.368 0.748
Fe 0.600 0.851 0.219
Fe 0.632 0.381 0.781
O 0.226 0.735 0.914
O 0.821 0.313 0.086
O 0.265 0.179 0.492
O 0.687 0.774 0.508
O 0.755 0.755 -0.000
O 0.245 0.245 0.000
O 0.750 0.250 0.500 |
Below is a description of a material. | The chemical formula is: CuMoF6.
The XRD pattern shows main peaks at: 21.4°(0.05), 24.0°(1.0), 32.6°(0.37), 35.7°(0.13), 40.7°(0.12), 43.5°(0.15), 49.1°(0.12), 53.2°(0.29), 56.0°(0.07), 57.5°(0.13), 62.2°(0.07), 64.2°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-85434 | 5.02 5.02 5.54
63 89 60
Cu 0.000 0.000 0.000
Mo 0.500 0.000 0.500
F 0.737 0.850 0.261
F 0.263 0.150 0.739
F 0.587 0.525 0.739
F 0.413 0.475 0.261
F 0.112 0.151 0.262
F 0.888 0.849 0.738 |
Below is a description of a material. | The chemical formula is: HgXe.
The XRD pattern shows main peaks at: 25.1°(0.26), 26.5°(0.26), 28.4°(1.0), 36.8°(0.2), 44.2°(0.2), 48.0°(0.22), 52.3°(0.22), 53.4°(0.18), 67.2°(0.08), 71.7°(0.14), 72.7°(0.09), 75.5°(0.07), 84.0°(0.09), 87.4°(0.05).
Generate atomic structure description with lattice lengths, angles, coord... | JVASP-128569 | 4.10 4.10 6.73
90 90 120
Hg 0.333 0.667 0.250
Xe 0.667 0.333 0.750 |
Below is a description of a material. | The chemical formula is: MoW2Se4S2.
The XRD pattern shows main peaks at: 4.5°(0.25), 9.1°(0.06), 13.6°(1.0), 31.5°(0.45), 32.4°(0.06), 33.8°(0.13), 37.4°(0.53), 38.3°(0.55), 56.1°(0.26), 58.0°(0.15), 69.4°(0.08), 69.9°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types... | JVASP-28518 | 3.28 3.28 19.58
94 89 120
Mo 0.220 0.441 0.010
W 0.445 0.890 0.681
W 0.667 0.335 0.351
Se 0.363 0.727 0.438
Se 0.525 0.050 0.923
Se 0.583 0.167 0.096
Se 0.305 0.610 0.264
S 0.752 0.503 0.601
S 0.805 0.610 0.760 |
Below is a description of a material. | The chemical formula is: Tm2ZnHg.
The XRD pattern shows main peaks at: 21.5°(0.1), 35.4°(1.0), 41.8°(0.06), 51.0°(0.18), 63.6°(0.38), 75.0°(0.12), 85.8°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-79398 | 5.07 5.07 5.07
60 60 60
Tm 0.000 0.000 0.000
Tm 0.500 0.500 0.500
Zn 0.750 0.750 0.750
Hg 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: CuTeSeI.
The XRD pattern shows main peaks at: 14.6°(0.11), 15.4°(0.38), 21.9°(0.16), 23.2°(0.09), 23.7°(0.45), 24.8°(0.57), 28.0°(1.0), 29.7°(0.94), 30.9°(0.83), 31.4°(0.5), 33.2°(0.26), 40.5°(0.14), 43.3°(0.17), 44.5°(0.76), 47.8°(0.2), 48.4°(0.52), 49.7°(0.24), 50.4°(0.25), 50.9°(0.15), 53.9°... | JVASP-113030 | 4.80 8.55 12.85
63 90 90
Cu 0.879 0.795 0.254
Cu 0.121 0.205 0.746
Cu 0.379 0.205 0.246
Cu 0.621 0.795 0.754
Te 0.504 0.713 0.145
Te 0.496 0.287 0.855
Te 0.004 0.287 0.355
Te 0.996 0.713 0.645
Se 0.727 0.426 0.152
Se 0.273 0.574 0.848
Se 0.227 0.574 0.348
Se 0.773 0.426 0.652
I 0.640 0.905 0.394
I 0.360 0.095 0.606
I 0... |
Below is a description of a material. | The chemical formula is: BeAlSiN3.
The XRD pattern shows main peaks at: 20.9°(0.35), 23.5°(0.23), 32.0°(0.07), 34.9°(1.0), 37.5°(0.58), 39.8°(0.66), 41.0°(0.06), 42.5°(0.05), 52.2°(0.29), 62.6°(0.55), 69.2°(0.41), 75.3°(0.34).
Generate atomic structure description with lattice lengths, angles, coordinates and atom type... | JVASP-141770 | 5.14 5.14 5.63
62 62 59
Be 0.831 0.662 0.507
Be 0.662 0.831 0.007
Al 0.503 0.336 0.492
Al 0.336 0.503 0.992
Si 0.172 0.002 0.492
Si 0.002 0.172 0.992
N 0.723 0.537 0.885
N 0.028 0.896 0.866
N 0.371 0.189 0.883
N 0.896 0.028 0.366
N 0.189 0.371 0.383
N 0.537 0.723 0.385 |
Below is a description of a material. | The chemical formula is: Cu2PdAu.
The XRD pattern shows main peaks at: 25.2°(0.09), 29.2°(0.18), 41.8°(1.0), 49.5°(0.05), 51.8°(0.05), 60.6°(0.16), 68.7°(0.07), 76.3°(0.3).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-41832 | 4.32 4.32 4.32
59 59 59
Cu 0.500 0.500 0.500
Cu 1.000 1.000 1.000
Pd 0.750 0.750 0.750
Au 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: RbHO.
The XRD pattern shows main peaks at: 23.0°(0.29), 27.0°(0.57), 31.6°(1.0), 33.0°(0.64), 39.6°(0.35), 43.3°(0.18), 43.8°(0.18), 49.6°(0.09), 52.4°(0.27), 55.5°(0.35), 56.0°(0.14), 63.3°(0.11), 64.2°(0.09), 72.1°(0.08), 73.3°(0.17), 80.7°(0.09), 86.3°(0.07), 87.0°(0.07), 87.5°(0.06).
Genera... | JVASP-118469 | 4.13 4.18 5.80
90 110 90
Rb 0.140 0.762 0.279
Rb 0.860 0.262 0.721
H 0.467 0.898 0.934
H 0.533 0.398 0.066
O 0.400 0.738 0.800
O 0.600 0.238 0.200 |
Below is a description of a material. | The chemical formula is: SmCu.
The XRD pattern shows main peaks at: 25.2°(0.16), 36.0°(1.0), 51.8°(0.17), 58.5°(0.07), 64.7°(0.35), 76.3°(0.11), 87.4°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-16782 | 3.53 3.53 3.53
90 90 90
Sm 0.500 0.500 0.500
Cu 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: PmTe2.
The XRD pattern shows main peaks at: 14.0°(0.26), 22.8°(0.15), 23.3°(0.05), 25.2°(1.0), 29.9°(0.47), 31.2°(0.08), 34.0°(0.34), 39.0°(0.39), 40.1°(0.27), 42.9°(0.2), 47.7°(0.12), 50.9°(0.2), 51.9°(0.08), 58.2°(0.07), 60.3°(0.12), 63.0°(0.09), 63.5°(0.1), 64.2°(0.11), 67.4°(0.09), 73.1°(0.... | JVASP-129925 | 4.63 4.48 6.58
90 76 118
Pm -0.000 0.333 0.333
Te 0.238 -0.047 0.600
Te 0.762 0.714 0.067 |
Below is a description of a material. | The chemical formula is: PCl.
The XRD pattern shows main peaks at: 8.4°(0.68), 11.9°(1.0), 14.6°(0.87), 16.9°(0.48), 18.9°(0.46), 24.0°(0.19), 25.5°(0.2), 26.9°(0.29), 28.2°(0.31), 34.2°(0.07), 35.3°(0.08), 36.0°(0.09), 37.4°(0.08), 38.4°(0.1), 39.4°(0.11), 42.0°(0.06), 43.8°(0.1), 44.9°(0.07), 51.2°(0.07).
Generate at... | JVASP-118133 | 7.41 7.41 10.58
90 90 90
P 0.000 0.000 0.106
Cl 0.000 0.000 0.894 |
Below is a description of a material. | The chemical formula is: CeNi2Bi2.
The XRD pattern shows main peaks at: 17.7°(0.13), 26.0°(0.1), 26.7°(0.22), 28.4°(0.57), 32.4°(1.0), 32.9°(0.59), 38.5°(0.91), 42.7°(0.05), 45.4°(0.45), 47.4°(0.19), 49.4°(0.16), 51.5°(0.33), 55.6°(0.3), 62.7°(0.09), 63.6°(0.13), 64.3°(0.14), 65.8°(0.26), 74.5°(0.2), 79.2°(0.1), 82.5°(... | JVASP-150692 | 4.68 4.68 10.03
90 90 90
Ce 0.250 0.250 0.772
Ce 0.750 0.750 0.228
Ni 0.750 0.250 0.000
Ni 0.250 0.750 0.000
Ni 0.250 0.250 0.378
Ni 0.750 0.750 0.622
Bi 0.750 0.250 0.500
Bi 0.250 0.750 0.500
Bi 0.250 0.250 0.126
Bi 0.750 0.750 0.874 |
Below is a description of a material. | The chemical formula is: NaAgAs.
The XRD pattern shows main peaks at: 12.3°(1.0), 24.3°(0.25), 32.3°(0.51), 37.6°(0.08), 39.1°(0.81), 42.5°(0.4), 43.4°(0.1), 44.4°(0.17), 48.6°(0.13), 49.6°(0.07), 50.9°(0.07), 58.0°(0.09), 61.7°(0.12), 62.3°(0.07), 63.1°(0.05), 68.4°(0.11), 71.3°(0.1), 75.4°(0.21), 82.2°(0.06), 83.9°(0... | JVASP-117644 | 4.25 4.25 7.18
90 90 90
Na 0.000 0.500 0.657
Na 0.500 0.000 0.343
Ag 0.000 0.000 0.000
Ag 0.500 0.500 0.000
As 0.000 0.500 0.237
As 0.500 0.000 0.763 |
Below is a description of a material. | The chemical formula is: Bi3O4F.
The XRD pattern shows main peaks at: 14.1°(0.17), 23.1°(0.59), 27.5°(1.0), 28.5°(0.26), 30.7°(0.6), 31.7°(0.08), 33.1°(0.7), 37.2°(0.12), 39.0°(0.19), 44.7°(0.2), 45.4°(0.08), 49.0°(0.43), 49.8°(0.08), 53.3°(0.35), 53.8°(0.11), 56.2°(0.1), 56.8°(0.06), 69.2°(0.07), 75.0°(0.08), 85.6°(0.... | JVASP-52352 | 4.05 11.39 6.58
90 72 90
Bi 0.667 0.750 0.666
Bi 0.633 0.411 0.734
Bi 0.633 0.089 0.734
Bi 0.367 0.911 0.266
Bi 0.367 0.589 0.266
Bi 0.333 0.250 0.334
O 0.537 0.250 0.926
O 0.247 0.750 0.506
O 0.775 0.595 0.449
O 0.775 0.905 0.449
O 0.225 0.095 0.551
O 0.225 0.405 0.551
O 0.753 0.250 0.494
O 0.463 0.750 0.074
F 0.000 0... |
Below is a description of a material. | The chemical formula is: TePb3.
The XRD pattern shows main peaks at: 29.5°(0.34), 33.3°(1.0), 42.4°(0.17), 52.7°(0.19), 54.8°(0.25), 61.6°(0.25), 63.8°(0.16), 79.5°(0.09), 85.0°(0.1), 86.7°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-102991 | 6.94 6.94 6.06
90 90 120
Te 0.333 0.667 0.750
Te 0.667 0.333 0.250
Pb 0.167 0.333 0.250
Pb 0.667 0.833 0.250
Pb 0.167 0.833 0.250
Pb 0.833 0.667 0.750
Pb 0.333 0.167 0.750
Pb 0.833 0.167 0.750 |
Below is a description of a material. | The chemical formula is: BaCaO.
The XRD pattern shows main peaks at: 10.8°(0.41), 21.5°(1.0), 24.2°(0.3), 30.8°(0.65), 32.6°(0.15), 37.9°(0.32), 39.7°(0.12), 43.9°(0.15), 44.4°(0.06), 45.6°(0.08), 49.4°(0.29), 49.9°(0.19), 50.7°(0.09), 54.6°(0.22), 54.9°(0.13), 64.2°(0.09), 68.6°(0.14), 72.5°(0.09), 76.7°(0.08), 89.1°(... | JVASP-182421 | 4.13 4.13 8.15
90 90 90
Ba 0.000 0.000 0.271
Ca -0.000 -0.000 0.754
O -0.000 -0.000 -0.003 |
Below is a description of a material. | The chemical formula is: LiMgAs.
The XRD pattern shows main peaks at: 21.0°(1.0), 22.0°(0.49), 28.9°(0.69), 36.0°(0.55), 36.6°(0.27), 38.1°(0.59), 42.8°(0.17), 47.0°(0.36), 48.5°(0.62), 52.5°(0.19), 54.3°(0.08), 59.8°(0.08), 64.2°(0.09), 65.1°(0.08), 66.4°(0.12), 68.2°(0.09), 72.0°(0.1), 73.2°(0.16), 74.0°(0.18), 88.5°... | JVASP-115413 | 4.74 4.74 3.09
90 90 116
Li 0.108 0.420 0.000
Mg -0.226 -0.245 0.000
As 0.436 0.093 0.000 |
Below is a description of a material. | The chemical formula is: CrSiNi.
The XRD pattern shows main peaks at: 20.1°(0.13), 32.0°(0.22), 39.4°(1.0), 40.0°(0.6), 40.9°(0.2), 42.2°(0.88), 46.9°(0.5), 48.3°(0.14), 49.3°(0.33), 49.7°(0.29), 50.5°(0.54), 50.9°(0.17), 54.8°(0.16), 55.8°(0.13), 68.1°(0.15), 73.3°(0.17), 74.6°(0.1), 77.7°(0.11), 79.4°(0.26), 89.3°(0.... | JVASP-152088 | 3.61 5.76 6.88
90 90 90
Cr 0.250 0.028 0.320
Cr 0.750 0.472 0.820
Cr 0.750 0.972 0.680
Cr 0.250 0.528 0.180
Si 0.250 0.255 0.625
Si 0.750 0.245 0.125
Si 0.750 0.745 0.375
Si 0.250 0.755 0.875
Ni 0.250 0.146 0.941
Ni 0.750 0.354 0.441
Ni 0.750 0.854 0.059
Ni 0.250 0.646 0.559 |
Below is a description of a material. | The chemical formula is: Rh2Pt.
The XRD pattern shows main peaks at: 13.2°(0.11), 40.2°(1.0), 46.8°(0.48), 68.3°(0.32), 82.3°(0.34), 86.9°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-194028 | 2.75 2.75 6.73
90 90 120
Rh 0.333 0.667 0.660
Rh 0.667 0.333 0.340
Pt -0.000 0.000 -0.000 |
Below is a description of a material. | The chemical formula is: V6GeAs.
The XRD pattern shows main peaks at: 26.6°(0.09), 37.9°(0.45), 42.6°(0.82), 46.9°(1.0), 74.9°(0.46), 81.1°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-188804 | 6.71 6.71 4.74
44 44 59
V 0.000 0.500 0.752
V 0.748 1.000 0.752
V 0.500 0.252 0.248
V 0.252 0.000 0.248
V -0.000 0.500 0.248
V 0.500 0.748 0.752
Ge 0.000 -0.000 0.000
As 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Ba4SnTe.
The XRD pattern shows main peaks at: 15.5°(0.07), 25.4°(0.24), 29.8°(1.0), 31.2°(0.46), 36.2°(0.06), 44.7°(0.11), 47.6°(0.37), 52.1°(0.34), 61.2°(0.14), 62.0°(0.18), 71.0°(0.06), 73.2°(0.25), 76.8°(0.05), 84.5°(0.07).
Generate atomic structure description with lattice lengths, angles, ... | JVASP-64023 | 7.02 7.02 7.02
60 60 60
Ba 0.125 0.625 0.625
Ba 0.625 0.625 0.625
Ba 0.625 0.125 0.625
Ba 0.625 0.625 0.125
Sn 0.250 0.250 0.250
Te 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: TiInRh2.
The XRD pattern shows main peaks at: 31.9°(0.17), 39.6°(1.0), 41.4°(0.47), 54.5°(0.08), 59.0°(0.07), 59.9°(0.14), 70.7°(0.13), 74.3°(0.29), 77.3°(0.06), 85.3°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-187028 | 3.09 3.09 6.73
90 90 90
Ti 0.500 0.500 -0.000
Rh -0.000 -0.000 0.779
Rh 0.000 0.000 0.221
In 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: HfFeF6.
The XRD pattern shows main peaks at: 18.9°(0.31), 21.9°(1.0), 31.2°(0.38), 44.7°(0.21), 50.3°(0.38), 55.5°(0.07), 65.0°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-104893 | 5.74 5.74 5.74
60 60 60
Hf 0.500 0.500 0.500
Fe 0.000 0.000 0.000
F 0.747 0.253 0.253
F 0.253 0.747 0.747
F 0.253 0.747 0.253
F 0.747 0.253 0.747
F 0.253 0.253 0.747
F 0.747 0.747 0.253 |
Below is a description of a material. | The chemical formula is: Al2ZnSe4.
The XRD pattern shows main peaks at: 23.6°(0.2), 27.7°(0.24), 29.0°(0.92), 33.6°(0.61), 36.7°(0.11), 41.4°(0.08), 44.0°(0.26), 48.2°(1.0), 57.2°(0.38), 60.0°(0.15), 65.4°(0.06), 67.3°(0.07), 70.5°(0.14), 72.4°(0.06), 78.0°(0.07), 80.4°(0.08).
Generate atomic structure description with... | JVASP-152926 | 7.55 7.55 7.55
60 60 60
Al 0.000 0.000 0.000
Al 0.000 -0.000 0.500
Al 0.000 0.500 -0.000
Al 0.500 0.000 -0.000
Zn 0.375 0.375 0.375
Zn 0.625 0.625 0.625
Se 0.241 0.241 0.241
Se 0.241 0.241 0.778
Se 0.241 0.778 0.241
Se 0.778 0.241 0.241
Se 0.759 0.759 0.222
Se 0.759 0.759 0.759
Se 0.759 0.222 0.759
Se 0.222 0.759 0.759 |
Below is a description of a material. | The chemical formula is: Te7Mo6S5.
The XRD pattern shows main peaks at: 6.3°(0.1), 10.3°(0.14), 11.0°(0.15), 12.6°(0.93), 14.7°(0.08), 22.1°(0.06), 25.3°(0.16), 26.1°(0.05), 30.4°(0.5), 32.8°(0.11), 35.8°(1.0), 36.1°(0.72), 36.5°(0.37), 44.2°(0.44), 44.7°(0.15), 53.8°(0.2), 54.2°(0.36), 66.3°(0.09), 66.7°(0.11).
Genera... | JVASP-33919 | 3.41 8.93 14.45
101 96 78
Te 0.471 0.173 0.116
Te 0.906 0.580 0.392
Te 0.102 0.414 0.618
Te 0.518 0.845 0.881
Te 0.148 0.819 0.115
Te 0.426 0.767 0.619
Te 0.194 0.496 0.883
Mo 0.303 0.650 0.256
Mo 0.706 0.339 0.751
Mo 0.633 0.981 0.248
Mo 0.032 0.685 0.750
Mo 0.970 0.315 0.255
Mo 0.359 0.033 0.751
S 0.223 0.909 0.354
S... |
Below is a description of a material. | The chemical formula is: ZrRh3.
The XRD pattern shows main peaks at: 39.5°(1.0), 45.9°(0.51), 66.9°(0.31), 80.6°(0.36), 85.0°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-126617 | 3.95 3.95 3.95
90 90 90
Zr 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: Al5O8.
The XRD pattern shows main peaks at: 19.3°(1.0), 22.3°(0.23), 31.8°(0.09), 37.5°(0.83), 45.6°(0.96), 60.4°(0.45), 66.4°(0.89), 84.2°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-116713 | 5.63 5.63 5.63
59 60 59
Al 0.616 0.128 0.128
Al 0.128 0.616 0.128
Al 0.128 0.128 0.616
Al 0.128 0.128 0.128
Al 0.750 0.750 0.750
O 0.351 0.883 0.883
O 0.883 0.351 0.883
O 0.883 0.883 0.351
O 0.883 0.883 0.883
O 0.914 0.362 0.362
O 0.362 0.914 0.362
O 0.362 0.362 0.914
O 0.362 0.362 0.362 |
Below is a description of a material. | The chemical formula is: HoGa4Ni.
The XRD pattern shows main peaks at: 17.8°(0.07), 22.5°(0.07), 31.2°(0.13), 35.6°(1.0), 36.1°(0.18), 36.8°(0.52), 38.0°(0.35), 39.4°(0.55), 43.0°(0.09), 44.3°(0.35), 45.1°(0.21), 50.6°(0.09), 56.0°(0.13), 58.5°(0.09), 59.8°(0.18), 64.6°(0.09), 65.1°(0.14), 68.9°(0.09), 74.1°(0.1), 75.9... | JVASP-152049 | 7.88 7.88 6.57
90 90 149
Ho 0.120 0.880 0.750
Ho 0.880 0.120 0.250
Ga 0.500 0.500 0.000
Ga 0.500 0.500 0.500
Ga 0.931 0.069 0.750
Ga 0.069 0.931 0.250
Ga 0.315 0.685 0.950
Ga 0.685 0.315 0.450
Ga 0.315 0.685 0.550
Ga 0.685 0.315 0.050
Ni 0.777 0.223 0.750
Ni 0.223 0.777 0.250 |
Below is a description of a material. | The chemical formula is: ScSb3.
The XRD pattern shows main peaks at: 21.9°(0.08), 33.3°(1.0), 41.2°(0.23), 53.9°(0.21), 59.4°(0.16), 70.0°(0.27), 84.3°(0.06), 89.2°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-185280 | 4.39 4.39 6.22
110 110 90
Sc 0.000 -0.000 -0.000
Sb 0.250 0.750 0.500
Sb 0.750 0.250 0.500
Sb 0.500 0.500 -0.000 |
Below is a description of a material. | The chemical formula is: CdI2.
The XRD pattern shows main peaks at: 12.9°(0.36), 25.2°(0.13), 26.2°(0.14), 27.3°(1.0), 42.2°(0.62), 44.3°(0.1), 51.0°(0.17), 68.2°(0.13), 77.1°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-29533 | 4.29 4.29 34.39
90 90 120
Cd 0.667 0.333 0.050
Cd 0.000 0.000 0.650
Cd 0.333 0.667 0.450
Cd 0.000 0.000 0.850
Cd 0.000 0.000 0.250
I 0.667 0.333 0.200
I 0.333 0.667 0.300
I 0.667 0.333 0.400
I 0.333 0.667 0.700
I 0.333 0.667 0.100
I 0.667 0.333 0.600
I 0.000 0.000 -0.000
I 0.333 0.667 0.900
I 0.667 0.333 0.800
I 0.000 ... |
Below is a description of a material. | The chemical formula is: Ba4TiIr.
The XRD pattern shows main peaks at: 16.1°(0.17), 18.6°(0.08), 26.4°(0.24), 31.1°(1.0), 32.5°(0.48), 37.7°(0.07), 42.3°(0.05), 46.6°(0.1), 49.6°(0.39), 54.3°(0.3), 63.9°(0.13), 64.7°(0.18), 76.6°(0.23), 88.7°(0.08).
Generate atomic structure description with lattice lengths, angles, co... | JVASP-66218 | 6.75 6.75 6.75
60 60 60
Ba 0.128 0.624 0.624
Ba 0.624 0.624 0.624
Ba 0.624 0.128 0.624
Ba 0.624 0.624 0.128
Ti 0.000 0.000 0.000
Ir 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: PmSc.
The XRD pattern shows main peaks at: 16.2°(0.36), 29.6°(0.44), 32.8°(0.24), 33.9°(1.0), 44.8°(0.26), 52.5°(0.18), 55.4°(0.09), 59.3°(0.21), 63.3°(0.21), 64.0°(0.16), 71.4°(0.07), 76.6°(0.06), 83.2°(0.07), 87.4°(0.14).
Generate atomic structure description with lattice lengths, angles, coo... | JVASP-129609 | 3.48 3.48 5.46
90 90 120
Pm 0.667 0.333 0.750
Sc 0.333 0.667 0.250 |
Below is a description of a material. | The chemical formula is: Ho2CoGe2.
The XRD pattern shows main peaks at: 23.5°(0.15), 25.5°(0.09), 27.2°(0.21), 33.7°(0.65), 33.9°(0.56), 34.4°(1.0), 37.7°(0.35), 39.2°(0.12), 40.1°(0.24), 41.4°(0.57), 43.5°(0.48), 50.7°(0.08), 56.4°(0.14), 56.8°(0.18), 60.6°(0.18), 61.5°(0.09), 67.2°(0.22), 74.0°(0.09), 77.4°(0.08), 78... | JVASP-151492 | 5.58 5.58 10.14
64 64 43
Ho 0.189 0.189 0.884
Ho 0.811 0.811 0.116
Ho 0.006 0.006 0.667
Ho 0.994 0.994 0.333
Co 0.274 0.274 0.343
Co 0.726 0.726 0.657
Ge 0.484 0.484 0.878
Ge 0.516 0.516 0.122
Ge 0.343 0.343 0.561
Ge 0.657 0.657 0.439 |
Below is a description of a material. | The chemical formula is: VSe2.
The XRD pattern shows main peaks at: 14.2°(0.16), 28.7°(0.15), 33.9°(1.0), 42.5°(0.43), 54.4°(0.33), 59.4°(0.06), 62.7°(0.1), 65.7°(0.11), 80.5°(0.06), 84.8°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-148789 | 3.37 3.37 6.22
90 90 120
V 0.000 0.000 0.000
Se 0.667 0.334 0.252
Se 0.333 0.666 0.748 |
Below is a description of a material. | The chemical formula is: ZrAlNi2.
The XRD pattern shows main peaks at: 25.2°(0.19), 41.7°(1.0), 60.5°(0.16), 76.2°(0.3).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-15291 | 4.33 4.33 4.33
60 60 60
Zr 0.500 0.500 0.500
Al 0.000 0.000 0.000
Ni 0.250 0.250 0.250
Ni 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: Rb2CoO3.
The XRD pattern shows main peaks at: 14.9°(0.06), 22.3°(0.07), 29.1°(0.29), 29.6°(0.75), 33.6°(1.0), 38.0°(0.2), 44.9°(0.3), 45.9°(0.14), 49.1°(0.07), 51.5°(0.07), 54.2°(0.09), 56.2°(0.09), 57.4°(0.11), 58.0°(0.08), 59.9°(0.15), 61.4°(0.06), 62.9°(0.15), 65.2°(0.16), 70.2°(0.06), 82.8°... | JVASP-164784 | 6.26 6.26 5.36
90 90 108
Rb 0.183 0.505 0.740
Rb 0.495 0.817 0.240
Rb 0.505 0.183 0.740
Rb 0.817 0.495 0.240
Co 0.072 0.072 0.240
Co 0.928 0.928 0.740
O 0.120 0.880 0.990
O 0.120 0.880 0.490
O 0.321 0.321 0.240
O 0.679 0.679 0.740
O 0.880 0.120 0.990
O 0.880 0.120 0.490 |
Below is a description of a material. | The chemical formula is: TiGaCu2.
The XRD pattern shows main peaks at: 42.6°(1.0), 61.8°(0.15), 78.0°(0.29).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-107226 | 4.24 4.24 4.24
59 59 60
Ti 0.000 0.000 0.000
Ga 0.500 0.500 0.500
Cu 0.250 0.250 0.250
Cu 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: Te3Rh2.
The XRD pattern shows main peaks at: 22.2°(0.28), 24.4°(0.44), 25.3°(0.39), 28.4°(0.23), 30.6°(0.83), 33.6°(0.19), 35.8°(0.17), 38.7°(0.39), 42.4°(1.0), 45.1°(0.48), 48.4°(0.21), 53.2°(0.18), 55.2°(0.29), 58.8°(0.11), 63.6°(0.15), 67.5°(0.09), 77.6°(0.16).
Generate atomic structure desc... | JVASP-185034 | 4.26 8.36 4.26
104 60 104
Te 0.014 0.042 0.014
Te 0.580 0.739 0.580
Te 0.810 0.431 0.810
Rh 0.196 0.587 0.196
Rh 0.703 0.110 0.703 |
Below is a description of a material. | The chemical formula is: BiSb3Te6.
The XRD pattern shows main peaks at: 27.6°(1.0), 37.6°(0.38), 41.2°(0.33), 44.1°(0.06), 50.4°(0.19), 57.0°(0.1), 62.0°(0.08), 67.1°(0.15), 72.8°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-170727 | 4.38 7.58 10.58
83 78 90
Bi 0.596 0.200 0.807
Sb 0.099 0.698 0.802
Sb 0.904 0.301 0.193
Sb 0.400 0.800 0.200
Te 0.499 0.503 0.002
Te 0.998 0.997 0.004
Te 0.183 0.401 0.634
Te 0.682 0.888 0.635
Te 0.319 0.108 0.362
Te 0.819 0.605 0.362 |
Below is a description of a material. | The chemical formula is: InS2.
The XRD pattern shows main peaks at: 17.5°(0.86), 27.5°(1.0), 32.1°(0.59), 33.4°(0.06), 36.8°(0.24), 37.6°(0.36), 44.4°(0.29), 46.4°(0.14), 48.1°(0.28), 48.8°(0.23), 51.6°(0.15), 54.2°(0.08), 55.9°(0.19), 60.7°(0.07), 63.0°(0.06), 66.4°(0.05), 67.2°(0.06).
Generate atomic structure descri... | JVASP-115153 | 6.49 3.83 7.16
48 115 147
In 0.806 -0.173 0.081
S 0.017 0.279 0.357
S 0.595 0.375 0.806 |
Below is a description of a material. | The chemical formula is: BeInBi2.
The XRD pattern shows main peaks at: 20.6°(0.15), 21.7°(0.22), 24.9°(0.32), 33.2°(1.0), 35.5°(0.46), 42.0°(0.17), 44.2°(0.13), 51.1°(0.16), 56.1°(0.08), 57.9°(0.23), 62.3°(0.37), 69.8°(0.13), 74.3°(0.11), 75.4°(0.07), 84.7°(0.08), 85.9°(0.08).
Generate atomic structure description with... | JVASP-74632 | 5.44 5.44 5.44
124 124 82
Be 0.750 0.250 0.500
In 0.250 0.750 0.500
Bi 0.000 0.000 0.000
Bi 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: V3O4F2.
The XRD pattern shows main peaks at: 27.1°(0.99), 27.4°(1.0), 35.9°(0.93), 38.9°(0.1), 41.0°(0.24), 44.0°(0.06), 53.8°(0.51), 54.2°(0.6), 56.6°(0.19), 62.6°(0.17), 63.8°(0.08), 68.6°(0.2), 69.5°(0.16), 89.3°(0.08).
Generate atomic structure description with lattice lengths, angles, coor... | JVASP-42485 | 6.51 2.97 10.39
90 108 90
V 0.007 0.000 0.014
V 0.167 0.500 0.333
V 0.507 0.500 0.014
V 0.667 0.000 0.333
V 0.326 0.000 0.652
V 0.826 0.500 0.653
O 0.633 0.000 0.667
O 0.732 0.500 0.464
O 0.265 0.500 0.529
O 0.601 0.500 0.202
O 0.701 0.000 0.000
O 0.300 0.000 0.000
O 0.069 0.500 0.137
O 0.034 0.000 0.667
F 0.967 0.000 ... |
Below is a description of a material. | The chemical formula is: NbV2.
The XRD pattern shows main peaks at: 35.6°(0.53), 42.0°(1.0), 43.9°(0.22), 63.9°(0.18), 68.2°(0.28), 75.3°(0.23), 86.1°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-187856 | 5.05 5.05 5.05
60 60 60
Nb 0.625 0.125 0.125
Nb 0.375 0.875 0.875
V 0.000 0.500 0.000
V 0.000 0.500 0.500
V 0.500 0.500 0.500
V 0.000 -0.000 0.500 |
Below is a description of a material. | The chemical formula is: ScBeBi.
The XRD pattern shows main peaks at: 20.8°(0.26), 25.3°(0.59), 32.9°(1.0), 42.3°(0.1), 44.5°(0.28), 49.9°(0.24), 51.9°(0.09), 56.5°(0.22), 63.1°(0.18), 69.1°(0.09), 70.7°(0.08), 71.4°(0.11), 74.6°(0.21), 86.0°(0.11), 88.2°(0.07).
Generate atomic structure description with lattice length... | JVASP-74243 | 4.07 4.07 4.27
90 90 119
Sc 0.333 0.667 0.723
Be 0.000 0.000 0.028
Bi 0.667 0.333 0.250 |
Below is a description of a material. | The chemical formula is: TiBeCo2.
The XRD pattern shows main peaks at: 27.7°(0.16), 32.1°(0.23), 46.0°(1.0), 54.6°(0.06), 57.2°(0.06), 67.1°(0.15), 76.3°(0.06), 85.2°(0.29).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-40030 | 3.94 3.94 3.94
60 60 60
Ti 0.750 0.750 0.750
Be 0.250 0.250 0.250
Co 0.500 0.500 0.500
Co 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Tm2Ge5Rh3.
The XRD pattern shows main peaks at: 29.3°(0.16), 30.5°(0.18), 33.6°(0.45), 34.6°(1.0), 35.0°(0.54), 36.0°(0.15), 36.4°(0.33), 39.3°(0.13), 40.8°(0.14), 42.8°(0.78), 44.7°(0.05), 49.7°(0.12), 54.8°(0.11), 55.3°(0.12), 58.1°(0.09), 62.7°(0.06), 63.5°(0.17), 66.1°(0.06), 73.2°(0.1).
Ge... | JVASP-171136 | 5.87 8.31 8.31
94 108 108
Tm 0.234 0.870 0.588
Tm 0.266 0.412 0.130
Tm 0.766 0.130 0.412
Tm 0.734 0.588 0.870
Ge 0.170 0.079 0.264
Ge 0.330 0.736 0.921
Ge 0.830 0.921 0.736
Ge 0.670 0.264 0.079
Ge 0.250 0.206 0.794
Ge 0.750 0.794 0.206
Ge 0.250 0.513 0.487
Ge 0.750 0.487 0.513
Ge 0.250 0.779 0.221
Ge 0.750 0.221 0.779
... |
Below is a description of a material. | The chemical formula is: Li2FeSiO5.
The XRD pattern shows main peaks at: 19.7°(0.18), 20.2°(0.54), 24.6°(0.62), 28.0°(1.0), 34.8°(0.67), 40.0°(0.12), 43.5°(0.28), 45.0°(0.2), 47.5°(0.24), 52.5°(0.17), 57.9°(0.27), 58.6°(0.12), 60.6°(0.12), 61.9°(0.1), 62.5°(0.09), 65.5°(0.09), 68.0°(0.1), 69.3°(0.15), 72.4°(0.15), 88.7... | JVASP-45863 | 6.37 6.37 4.40
90 90 90
Li 0.250 0.750 0.000
Li 0.750 0.750 0.000
Li 0.750 0.250 0.000
Li 0.250 0.250 0.000
Fe 0.500 0.000 0.618
Fe 0.000 0.500 0.382
Si 0.000 0.000 0.500
Si 0.500 0.500 0.500
O 0.706 0.500 0.275
O 0.294 0.500 0.275
O 0.500 0.294 0.725
O 0.000 0.206 0.275
O 0.000 0.794 0.275
O 0.794 0.000 0.725
O 0.500 ... |
Below is a description of a material. | The chemical formula is: VO2.
The XRD pattern shows main peaks at: 17.9°(0.88), 21.1°(1.0), 32.6°(0.38), 33.2°(0.55), 33.9°(0.08), 38.7°(0.08), 41.2°(0.13), 42.9°(0.45), 43.9°(0.28), 46.9°(0.23), 50.0°(0.12), 51.4°(0.24), 57.3°(0.09), 59.2°(0.07), 65.0°(0.12), 66.2°(0.27), 66.6°(0.12), 75.0°(0.09).
Generate atomic stru... | JVASP-9951 | 2.87 4.87 9.92
90 90 107
V 0.869 0.738 0.079
V 0.131 0.262 0.921
V 0.869 0.738 0.421
V 0.131 0.262 0.579
O 0.239 0.478 0.397
O 0.761 0.522 0.603
O 0.761 0.522 0.897
O 0.239 0.478 0.103
O 0.929 0.859 0.250
O 0.071 0.141 0.750
O 0.500 0.000 0.000
O 0.500 0.000 0.500 |
Below is a description of a material. | The chemical formula is: Li2Fe3SnO8.
The XRD pattern shows main peaks at: 18.4°(0.42), 21.6°(0.67), 30.5°(0.58), 36.3°(1.0), 37.4°(0.06), 37.9°(0.14), 43.9°(0.17), 57.9°(0.24), 58.2°(0.25), 63.5°(0.29), 64.2°(0.27).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-44617 | 5.86 5.86 5.86
59 59 59
Li 0.120 0.120 0.120
Li 0.499 0.499 0.499
Fe 0.019 0.494 0.494
Fe 0.494 0.019 0.494
Fe 0.494 0.494 0.019
Sn 0.879 0.879 0.879
O 0.261 0.261 0.261
O 0.251 0.251 0.712
O 0.251 0.712 0.251
O 0.712 0.251 0.251
O 0.298 0.742 0.742
O 0.742 0.298 0.742
O 0.742 0.742 0.298
O 0.737 0.737 0.737 |
Below is a description of a material. | The chemical formula is: LaFe5H12.
The XRD pattern shows main peaks at: 27.6°(0.45), 30.9°(0.33), 35.9°(0.34), 37.7°(1.0), 41.9°(0.07), 42.7°(0.2), 53.0°(0.14), 53.7°(0.14), 57.0°(0.19), 59.5°(0.25), 64.4°(0.17), 74.9°(0.12), 80.4°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates a... | JVASP-85226 | 5.78 5.78 4.23
90 90 120
La 0.000 0.000 0.000
Fe 0.500 0.000 0.500
Fe 0.000 0.500 0.500
Fe 0.667 0.333 0.000
Fe 0.500 0.500 0.500
Fe 0.333 0.667 0.000
H 0.574 0.787 0.735
H 0.787 0.213 0.735
H 0.213 0.426 0.735
H 0.426 0.213 0.735
H 0.426 0.213 0.265
H 0.213 0.787 0.265
H 0.787 0.213 0.265
H 0.787 0.574 0.265
H 0.213 0... |
Below is a description of a material. | The chemical formula is: YbYMg2.
The XRD pattern shows main peaks at: 20.1°(0.14), 23.2°(0.59), 33.1°(1.0), 39.0°(0.09), 40.8°(0.18), 47.5°(0.17), 53.5°(0.24), 59.0°(0.36), 69.4°(0.12), 74.2°(0.11), 79.0°(0.17), 83.7°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-157369 | 5.42 5.42 5.42
60 60 60
Yb 0.750 0.750 0.750
Y 0.250 0.250 0.250
Mg 0.000 0.000 0.000
Mg 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: ErTlZn.
The XRD pattern shows main peaks at: 25.3°(0.28), 33.6°(1.0), 38.4°(0.69), 44.4°(0.07), 46.5°(0.06), 51.9°(0.3), 66.2°(0.38), 69.4°(0.12), 82.1°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-85166 | 4.69 4.69 7.08
90 90 120
Er 0.000 0.000 0.500
Er 0.000 0.000 0.000
Tl 0.333 0.667 0.250
Tl 0.667 0.333 0.750
Zn 0.333 0.667 0.750
Zn 0.667 0.333 0.250 |
Below is a description of a material. | The chemical formula is: RbMg6Al.
The XRD pattern shows main peaks at: 13.9°(0.13), 16.0°(0.07), 17.8°(0.08), 22.6°(0.33), 26.7°(0.08), 27.9°(0.07), 32.3°(0.47), 33.3°(1.0), 35.3°(0.13), 36.0°(0.27), 46.4°(0.14), 49.2°(0.13), 51.3°(0.09), 52.9°(0.07), 54.4°(0.09), 58.4°(0.09), 60.1°(0.06), 63.0°(0.18), 67.0°(0.09), 67.... | JVASP-94768 | 6.77 7.83 4.99
90 90 125
Rb 0.277 0.888 0.250
Mg 0.722 0.401 0.250
Mg 0.722 0.821 0.250
Mg 0.293 0.205 0.750
Mg 0.293 0.588 0.750
Mg 0.774 0.137 0.750
Mg 0.815 0.657 0.750
Al 0.104 0.302 0.250 |
Below is a description of a material. | The chemical formula is: Ce4Ru3.
The XRD pattern shows main peaks at: 30.6°(0.65), 31.4°(0.8), 32.6°(0.61), 33.4°(0.53), 34.2°(0.93), 34.9°(0.96), 35.5°(0.35), 35.9°(1.0), 36.3°(0.82), 36.9°(0.55), 37.6°(0.7), 39.5°(0.49), 40.9°(0.27), 41.2°(0.33), 49.3°(0.32), 52.9°(0.33), 53.7°(0.21), 55.9°(0.26), 58.2°(0.2), 64.8°(0... | JVASP-152718 | 8.04 8.04 6.02
76 76 116
Ce 0.388 0.121 0.836
Ce 0.879 0.612 0.164
Ce 0.612 0.879 0.164
Ce 0.121 0.388 0.836
Ce 0.651 0.651 0.722
Ce 0.349 0.349 0.278
Ce 0.167 0.833 0.500
Ce 0.833 0.167 0.500
Ru 0.420 0.819 0.746
Ru 0.181 0.580 0.254
Ru 0.580 0.181 0.254
Ru 0.819 0.420 0.746
Ru 0.007 0.007 0.750
Ru -0.007 -0.007 0.250 |
Below is a description of a material. | The chemical formula is: Zr2BePb.
The XRD pattern shows main peaks at: 18.4°(0.31), 23.5°(0.34), 30.7°(0.18), 35.4°(0.13), 36.0°(1.0), 37.2°(0.22), 43.9°(0.29), 48.0°(0.11), 49.0°(0.11), 50.4°(0.1), 57.6°(0.07), 58.9°(0.25), 63.8°(0.09), 66.3°(0.17), 75.5°(0.24), 76.3°(0.11).
Generate atomic structure description with ... | JVASP-68549 | 5.64 5.64 5.64
137 137 62
Zr 0.000 0.000 0.000
Zr 0.250 0.750 0.500
Be 0.500 0.500 0.000
Pb 0.750 0.250 0.500 |
Below is a description of a material. | The chemical formula is: HoTa.
The XRD pattern shows main peaks at: 35.6°(1.0), 51.3°(0.16), 64.0°(0.36), 75.4°(0.11), 86.3°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-128250 | 3.56 3.56 3.56
90 90 90
Ho 0.500 0.500 0.500
Ta 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: LiFeC2O6.
The XRD pattern shows main peaks at: 18.3°(0.73), 23.4°(0.81), 25.7°(0.09), 33.6°(1.0), 37.1°(0.06), 38.5°(0.11), 39.6°(0.1), 44.0°(0.67), 47.8°(0.16), 49.7°(0.1), 55.4°(0.31), 56.4°(0.06), 62.7°(0.13), 63.8°(0.1), 68.0°(0.1), 71.8°(0.22).
Generate atomic structure description with la... | JVASP-45918 | 4.55 5.51 4.55
65 120 114
Li 0.000 0.000 0.000
Fe 0.500 0.500 0.500
C 0.243 0.728 0.757
C 0.757 0.272 0.243
O 0.049 0.269 0.261
O 0.519 0.731 0.049
O 0.261 0.731 0.481
O 0.739 0.269 0.519
O 0.481 0.269 0.951
O 0.951 0.731 0.739 |
Below is a description of a material. | The chemical formula is: Sb2Au.
The XRD pattern shows main peaks at: 22.7°(0.29), 26.2°(0.48), 29.4°(0.58), 32.3°(0.46), 37.5°(0.38), 44.2°(1.0), 46.3°(0.15), 48.3°(0.15), 50.3°(0.25), 59.3°(0.08), 61.0°(0.19), 62.7°(0.13), 64.3°(0.06), 67.6°(0.15), 72.3°(0.34), 75.4°(0.11), 76.9°(0.07), 79.9°(0.23), 84.4°(0.06), 85.9°... | JVASP-20331 | 6.79 6.79 6.79
90 90 90
Sb 0.376 0.124 0.876
Sb 0.124 0.876 0.376
Sb 0.876 0.376 0.124
Sb 0.624 0.624 0.624
Sb 0.376 0.376 0.376
Sb 0.124 0.624 0.876
Sb 0.876 0.124 0.624
Sb 0.624 0.876 0.124
Au 0.000 0.500 0.500
Au 0.500 0.500 0.000
Au 0.500 0.000 0.500
Au 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: KBaAu2.
The XRD pattern shows main peaks at: 13.8°(0.08), 14.6°(0.2), 23.2°(1.0), 27.6°(0.21), 29.4°(0.28), 37.8°(0.67), 40.7°(0.12), 41.1°(0.22), 47.5°(0.15), 51.3°(0.24), 56.8°(0.16), 64.2°(0.06), 64.9°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-82020 | 12.15 7.50 7.50
34 35 35
K 0.000 0.000 0.000
Ba 0.500 -0.000 -0.000
Au 0.749 -0.000 0.000
Au 0.251 0.000 -0.000 |
Below is a description of a material. | The chemical formula is: KCu4Se3.
The XRD pattern shows main peaks at: 9.0°(0.72), 18.0°(0.19), 24.0°(0.18), 28.7°(0.81), 32.9°(0.24), 35.3°(0.07), 36.6°(0.13), 42.1°(1.0), 45.2°(0.57), 46.2°(0.06), 49.0°(0.3), 51.7°(0.12), 54.5°(0.24), 56.9°(0.1), 65.9°(0.19), 71.1°(0.08), 73.4°(0.05), 81.4°(0.26), 86.3°(0.09).
Genera... | JVASP-15876 | 4.01 4.01 9.85
90 90 90
K 0.500 0.500 0.500
Cu 0.500 0.000 0.165
Cu 0.000 0.500 0.835
Cu 0.500 0.000 0.835
Cu 0.000 0.500 0.165
Se 0.000 0.000 0.307
Se 0.000 0.000 0.693
Se 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: AcB2Os2.
The XRD pattern shows main peaks at: 17.0°(0.12), 23.4°(0.37), 33.8°(0.18), 34.3°(0.27), 35.5°(1.0), 44.3°(0.29), 50.7°(0.1), 57.2°(0.25), 62.2°(0.19), 64.5°(0.1), 75.1°(0.11), 75.8°(0.22), 88.9°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-156048 | 5.97 5.97 5.97
139 139 57
Ac 0.000 0.000 0.000
B 0.312 0.312 -0.000
B 0.688 0.688 0.000
Os 0.750 0.250 0.500
Os 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: Nd2CuIr.
The XRD pattern shows main peaks at: 21.6°(0.1), 35.7°(1.0), 42.1°(0.06), 51.4°(0.17), 64.1°(0.34), 75.6°(0.11), 86.5°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-41123 | 5.03 5.03 5.03
60 60 60
Nd 0.000 0.000 0.000
Nd 0.500 0.500 0.500
Cu 0.250 0.250 0.250
Ir 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: Mg6CrBi.
The XRD pattern shows main peaks at: 16.1°(0.73), 17.3°(0.34), 23.7°(0.7), 28.0°(0.22), 32.5°(0.37), 33.1°(0.29), 35.0°(0.24), 37.0°(1.0), 38.8°(0.17), 45.4°(0.06), 47.1°(0.1), 48.5°(0.26), 57.9°(0.16), 64.1°(0.19), 69.5°(0.18), 70.8°(0.13).
Generate atomic structure description with l... | JVASP-92879 | 6.37 6.37 5.12
90 90 120
Mg 0.669 0.331 0.250
Mg 0.669 0.838 0.250
Mg 0.335 0.183 0.750
Mg 0.335 0.652 0.750
Mg 0.843 0.171 0.750
Mg 0.818 0.659 0.750
Cr 0.167 0.334 0.250
Bi 0.164 0.832 0.250 |
Below is a description of a material. | The chemical formula is: V4O3F9.
The XRD pattern shows main peaks at: 24.2°(1.0), 25.2°(0.5), 33.7°(0.1), 34.3°(0.17), 40.9°(0.13), 42.3°(0.1), 49.5°(0.19), 51.8°(0.08), 54.8°(0.16), 56.7°(0.13), 59.3°(0.07), 63.8°(0.11), 72.2°(0.06), 81.6°(0.06).
Generate atomic structure description with lattice lengths, angles, coor... | JVASP-112843 | 5.10 7.08 5.34
94 90 90
V 0.503 0.499 0.501
V 0.503 0.001 0.499
V 0.009 0.510 0.000
V 0.009 0.990 -0.000
O 0.584 0.250 0.500
O 0.418 0.750 0.500
O 0.092 0.750 -0.000
F 0.881 0.250 -0.000
F 0.820 0.552 0.315
F 0.820 0.948 0.685
F 0.687 0.945 0.182
F 0.687 0.555 0.818
F 0.312 0.439 0.184
F 0.312 0.061 0.816
F 0.183 0.058... |
Below is a description of a material. | The chemical formula is: GaIrRh2.
The XRD pattern shows main peaks at: 19.4°(0.21), 25.2°(0.08), 31.0°(0.06), 33.7°(0.11), 40.3°(1.0), 40.7°(0.51), 41.2°(0.46), 46.6°(0.71), 48.5°(0.29), 67.1°(0.12), 69.1°(0.21), 69.8°(0.2), 81.5°(0.14), 82.6°(0.12), 83.3°(0.12), 84.9°(0.16), 85.8°(0.06), 87.0°(0.12), 88.1°(0.06), 89.3... | JVASP-183060 | 4.69 4.69 4.67
101 101 34
Ga 0.500 0.500 0.500
Ir -0.000 -0.000 0.000
Rh 0.247 0.247 0.753
Rh 0.753 0.753 0.247 |
Below is a description of a material. | The chemical formula is: AcTlTe2.
The XRD pattern shows main peaks at: 21.9°(0.08), 31.1°(1.0), 44.6°(0.19), 55.4°(0.41), 64.9°(0.13), 73.7°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-41264 | 5.75 5.75 5.75
60 60 60
Ac 0.250 0.250 0.250
Tl 0.750 0.750 0.750
Te 0.500 0.500 0.500
Te 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: CaCrO2.
The XRD pattern shows main peaks at: 17.8°(0.08), 34.7°(0.37), 36.1°(0.13), 40.7°(1.0), 58.1°(0.31), 59.8°(0.23), 69.5°(0.05), 70.3°(0.12), 71.9°(0.06), 73.3°(0.13), 88.2°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-120951 | 5.31 5.31 5.31
34 34 34
Ca 0.500 0.500 0.500
Cr 0.000 0.000 0.000
O 0.264 0.264 0.264
O 0.736 0.736 0.736 |
Below is a description of a material. | The chemical formula is: Ca2RuO3.
The XRD pattern shows main peaks at: 12.8°(0.58), 25.8°(0.05), 27.7°(0.34), 33.3°(1.0), 37.8°(0.51), 39.1°(0.79), 40.1°(0.06), 41.3°(0.07), 42.7°(0.14), 55.5°(0.55), 56.6°(0.27), 65.4°(0.18), 67.3°(0.2), 70.0°(0.28).
Generate atomic structure description with lattice lengths, angles, c... | JVASP-179841 | 7.29 3.31 7.27
77 26 76
Ca 0.885 0.563 0.437
Ca 0.563 0.885 0.115
Ru 0.223 0.223 0.777
O 0.387 0.062 0.938
O 0.062 0.387 0.613
O 0.789 0.789 0.211 |
Below is a description of a material. | The chemical formula is: YbTmSe2.
The XRD pattern shows main peaks at: 27.0°(0.17), 31.2°(1.0), 44.5°(0.36), 45.0°(0.33), 54.9°(0.07), 55.7°(0.18), 65.1°(0.12), 73.6°(0.17), 74.3°(0.17), 82.6°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-100316 | 7.08 7.08 7.08
33 33 33
Yb 0.000 0.000 0.000
Tm 0.500 0.500 0.500
Se 0.248 0.248 0.248
Se 0.752 0.752 0.752 |
Below is a description of a material. | The chemical formula is: Ho3Ni2.
The XRD pattern shows main peaks at: 27.2°(0.3), 31.2°(0.46), 33.0°(0.7), 33.6°(0.29), 34.5°(1.0), 36.9°(0.42), 40.0°(0.54), 40.8°(0.41), 52.8°(0.16), 54.0°(0.23), 56.2°(0.16), 57.9°(0.34), 58.6°(0.22), 60.1°(0.16), 60.8°(0.06), 71.3°(0.05).
Generate atomic structure description with la... | JVASP-154255 | 7.12 7.12 7.12
72 72 72
Ho 0.000 0.000 0.000
Ho 0.793 0.793 0.793
Ho 0.207 0.207 0.207
Ho 0.828 0.338 0.612
Ho 0.338 0.612 0.828
Ho 0.612 0.828 0.338
Ho 0.172 0.662 0.388
Ho 0.662 0.388 0.172
Ho 0.388 0.172 0.662
Ni 0.587 0.148 0.960
Ni 0.148 0.960 0.587
Ni 0.960 0.587 0.148
Ni 0.413 0.852 0.040
Ni 0.852 0.040 0.413
Ni... |
Below is a description of a material. | The chemical formula is: NaAsSe.
The XRD pattern shows main peaks at: 10.0°(0.32), 20.2°(0.28), 30.4°(0.48), 31.5°(1.0), 33.1°(0.08), 37.7°(0.23), 44.4°(0.65), 45.1°(0.35), 49.9°(0.11), 55.4°(0.36), 62.0°(0.1), 65.7°(0.11), 71.2°(0.07), 74.1°(0.14), 74.7°(0.16), 78.3°(0.06), 82.8°(0.2).
Generate atomic structure descri... | JVASP-115431 | 2.84 2.84 8.81
90 90 90
Na 0.000 0.000 0.652
As 0.000 0.000 0.333
Se 0.000 0.000 -0.033 |
Below is a description of a material. | The chemical formula is: RbLuO2.
The XRD pattern shows main peaks at: 13.7°(0.41), 27.5°(0.44), 30.8°(0.1), 31.8°(0.86), 35.7°(1.0), 44.9°(0.09), 48.6°(0.36), 54.0°(0.31), 56.8°(0.27), 61.7°(0.3), 64.0°(0.11), 66.4°(0.15), 75.7°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and ... | JVASP-1552 | 6.77 6.77 6.77
29 29 29
Rb 0.000 0.000 0.000
Lu 0.500 0.500 0.500
O 0.776 0.776 0.776
O 0.224 0.224 0.224 |
Below is a description of a material. | The chemical formula is: BeSiMo.
The XRD pattern shows main peaks at: 25.9°(1.0), 33.4°(0.1), 42.8°(0.95), 45.6°(0.51), 53.2°(0.14), 57.7°(0.11), 64.3°(0.3), 72.7°(0.1), 76.2°(0.08), 82.4°(0.3), 84.4°(0.09), 87.9°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-182636 | 3.98 3.98 2.68
90 90 120
Be 0.333 0.667 0.500
Si 0.667 0.333 0.500
Mo -0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: BaAg2Sb2.
The XRD pattern shows main peaks at: 14.7°(0.08), 26.2°(0.11), 28.9°(0.74), 30.1°(1.0), 37.3°(0.74), 39.9°(0.38), 41.8°(0.3), 47.9°(0.35), 52.8°(0.17), 53.8°(0.26), 57.3°(0.22), 61.3°(0.08), 62.2°(0.08), 62.9°(0.23), 69.0°(0.14), 74.0°(0.18), 74.9°(0.09), 78.7°(0.1), 79.6°(0.08), 82.5... | JVASP-158113 | 6.94 6.94 6.94
139 139 58
Ba 0.000 0.000 0.000
Ag 0.750 0.250 0.500
Ag 0.250 0.750 0.500
Sb 0.377 0.377 -0.000
Sb 0.623 0.623 0.000 |
Below is a description of a material. | The chemical formula is: RbNa2Ag2.
The XRD pattern shows main peaks at: 13.4°(0.3), 19.3°(0.48), 25.7°(0.97), 27.2°(0.84), 29.1°(0.81), 36.7°(0.76), 37.6°(0.29), 38.7°(1.0), 41.8°(0.13), 46.3°(0.38), 52.9°(0.26), 54.4°(0.71), 59.8°(0.18), 61.5°(0.16), 67.5°(0.16), 68.5°(0.12), 72.9°(0.09), 77.2°(0.11), 79.3°(0.21), 89.... | JVASP-158240 | 4.89 4.89 7.46
109 109 90
Rb 0.000 0.000 0.000
Na 0.750 0.250 0.500
Na 0.250 0.750 0.500
Ag 0.605 0.605 0.211
Ag 0.395 0.395 0.789 |
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