instruction stringclasses 1
value | input stringlengths 172 433 | id stringlengths 7 12 | output stringlengths 43 458 |
|---|---|---|---|
Below is a description of a material. | The chemical formula is: CdNiSb.
The XRD pattern shows main peaks at: 24.8°(0.13), 28.7°(0.46), 41.1°(1.0), 48.6°(0.06), 50.9°(0.12), 59.5°(0.16), 67.4°(0.14), 74.8°(0.35), 89.1°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-161062 | 4.40 4.40 4.40
60 60 60
Cd 0.250 0.250 0.250
Ni 0.000 0.000 0.000
Sb 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: SnPF2.
The XRD pattern shows main peaks at: 20.1°(0.54), 22.4°(0.5), 30.3°(0.48), 31.9°(1.0), 38.0°(0.46), 40.8°(0.21), 45.8°(0.34), 47.0°(0.2), 50.4°(0.2), 51.5°(0.12), 52.7°(0.4), 55.9°(0.18), 63.0°(0.24), 66.7°(0.11), 67.7°(0.19), 72.4°(0.1), 75.9°(0.15), 79.4°(0.13), 81.3°(0.17), 85.6°(0.1)... | JVASP-114931 | 3.97 3.97 4.43
90 90 90
Sn 0.500 0.500 0.760
P 0.000 0.000 0.800
F 0.000 0.000 0.174
F 0.500 0.500 0.276 |
Below is a description of a material. | The chemical formula is: BH3.
The XRD pattern shows main peaks at: 21.5°(0.46), 26.1°(0.53), 34.1°(1.0), 36.8°(0.3), 37.6°(0.14), 43.0°(0.08), 43.8°(0.18), 51.7°(0.15), 53.7°(0.06), 58.5°(0.13), 64.6°(0.08), 65.6°(0.06), 71.7°(0.05), 78.2°(0.05).
Generate atomic structure description with lattice lengths, angles, coord... | JVASP-125375 | 4.13 4.88 3.42
44 90 90
B 0.626 0.906 0.187
H 0.932 0.448 0.104
H 0.069 0.551 0.898
H 0.373 0.094 0.811 |
Below is a description of a material. | The chemical formula is: RbSbWO6.
The XRD pattern shows main peaks at: 14.9°(0.66), 17.2°(0.06), 24.6°(0.09), 28.2°(0.92), 28.7°(1.0), 29.5°(0.55), 30.1°(0.55), 34.5°(0.09), 44.9°(0.1), 45.6°(0.21), 48.7°(0.13), 49.8°(0.54), 50.4°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates an... | JVASP-111787 | 7.33 7.33 7.33
120 118 90
Rb 0.660 0.382 0.777
Rb 0.395 0.618 0.277
Sb -0.004 0.500 0.496
Sb -0.004 -0.000 -0.004
W 0.515 0.991 0.024
W 0.033 0.009 0.524
O 0.317 0.689 0.753
O 0.935 0.067 0.743
O 0.318 0.063 0.754
O 0.916 0.672 0.744
O 0.064 0.311 0.628
O 0.064 0.936 0.253
O 0.677 0.309 0.243
O 0.317 0.064 0.128
O 0.69... |
Below is a description of a material. | The chemical formula is: DyCd3.
The XRD pattern shows main peaks at: 30.3°(0.13), 32.6°(0.17), 33.2°(0.11), 35.6°(1.0), 36.9°(0.28), 37.6°(0.24), 48.5°(0.06), 50.1°(0.1), 52.4°(0.08), 56.8°(0.1), 65.6°(0.18), 66.3°(0.06), 69.7°(0.11), 75.4°(0.08).
Generate atomic structure description with lattice lengths, angles, coor... | JVASP-16471 | 4.88 6.50 6.50
115 90 90
Dy 0.750 0.359 0.641
Dy 0.250 0.641 0.359
Cd 0.750 0.826 0.174
Cd 0.250 0.174 0.826
Cd 0.750 0.313 0.129
Cd 0.250 0.687 0.871
Cd 0.250 0.129 0.313
Cd 0.750 0.871 0.687 |
Below is a description of a material. | The chemical formula is: HfTe3.
The XRD pattern shows main peaks at: 8.7°(0.25), 16.3°(0.12), 17.5°(0.12), 18.4°(0.12), 28.8°(1.0), 30.3°(0.09), 31.5°(0.08), 32.7°(0.25), 33.7°(0.15), 36.8°(0.2), 38.2°(0.45), 39.8°(0.14), 40.2°(0.14), 42.5°(0.12), 46.3°(0.21), 49.5°(0.1), 57.9°(0.12), 62.2°(0.08), 70.2°(0.08), 81.0°(0.... | JVASP-28444 | 3.92 5.97 10.22
97 90 90
Hf 0.750 0.712 0.833
Hf 0.250 0.288 0.167
Te 0.750 0.569 0.329
Te 0.250 0.431 0.671
Te 0.750 0.237 0.948
Te 0.250 0.763 0.052
Te 0.750 0.088 0.334
Te 0.250 0.912 0.666 |
Below is a description of a material. | The chemical formula is: ZnSn3.
The XRD pattern shows main peaks at: 34.1°(1.0), 49.0°(0.18), 61.0°(0.39), 71.8°(0.11), 81.9°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-37590 | 5.26 5.26 5.26
60 60 60
Zn 0.750 0.750 0.750
Sn 0.000 0.000 0.000
Sn 0.500 0.500 0.500
Sn 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: Ba5Bi3O11.
The XRD pattern shows main peaks at: 9.6°(0.08), 19.2°(0.05), 20.1°(0.05), 27.9°(1.0), 28.5°(0.66), 35.5°(0.05), 39.0°(0.16), 40.6°(0.15), 41.0°(0.16), 49.0°(0.26), 50.1°(0.28), 57.8°(0.1), 59.0°(0.09), 66.8°(0.07), 73.0°(0.09), 80.4°(0.06), 81.2°(0.06).
Generate atomic structure des... | JVASP-52239 | 6.26 6.26 9.25
90 90 90
Ba 0.525 0.978 0.223
Ba 0.525 0.978 0.777
Ba 0.008 0.992 0.500
Ba 0.022 0.475 0.223
Ba 0.022 0.475 0.777
Bi 0.024 0.976 0.000
Bi 0.518 0.482 0.000
Bi 0.494 0.506 0.500
O 0.153 0.428 0.500
O 0.572 0.847 0.500
O 0.268 0.732 0.000
O 0.496 0.504 0.251
O 0.260 0.231 -0.000
O 0.039 0.961 0.234
O 0.769... |
Below is a description of a material. | The chemical formula is: LuAl3Ni2.
The XRD pattern shows main peaks at: 19.9°(0.43), 23.1°(0.05), 24.9°(0.65), 29.9°(0.24), 32.1°(0.25), 34.9°(0.32), 38.1°(1.0), 40.5°(0.69), 41.7°(0.34), 44.9°(0.28), 46.6°(0.12), 48.1°(0.16), 49.6°(0.06), 56.8°(0.11), 58.1°(0.15), 62.1°(0.38), 64.7°(0.18), 78.3°(0.12).
Generate atomic... | JVASP-117331 | 8.91 8.91 4.03
90 90 120
Lu 0.000 0.000 0.000
Lu 0.667 0.333 0.500
Lu 0.333 0.667 0.500
Al -0.000 0.703 0.500
Al 0.703 -0.000 0.500
Al 0.297 0.297 0.500
Al 0.297 0.000 0.500
Al 0.000 0.297 0.500
Al -0.000 0.500 0.000
Al 0.500 0.000 0.000
Al 0.500 0.500 0.000
Al 0.703 0.703 0.500
Ni 0.635 0.818 0.000
Ni 0.818 0.182 0.00... |
Below is a description of a material. | The chemical formula is: Ba2Nd2Fe4O11.
The XRD pattern shows main peaks at: 22.1°(0.13), 23.0°(0.14), 32.2°(0.93), 32.4°(1.0), 33.0°(0.9), 40.1°(0.43), 45.2°(0.29), 47.0°(0.26), 47.8°(0.22), 57.1°(0.35), 58.3°(0.34), 58.7°(0.32), 67.3°(0.16), 69.3°(0.14), 75.2°(0.11), 77.9°(0.07), 78.4°(0.07).
Generate atomic structure... | JVASP-154796 | 8.61 8.61 3.86
90 90 124
Ba 0.500 0.000 0.500
Ba 0.000 0.500 0.500
Nd 0.733 0.733 0.500
Nd 0.267 0.267 0.500
Fe 0.883 0.117 0.000
Fe 0.117 0.883 0.000
Fe 0.624 0.376 0.000
Fe 0.376 0.624 0.000
O 0.748 0.252 0.000
O 0.384 0.616 0.500
O 0.616 0.384 0.500
O 0.098 0.902 0.500
O 0.871 0.659 0.000
O 0.129 0.341 0.000
O 0.341... |
Below is a description of a material. | The chemical formula is: MnGa2Pt.
The XRD pattern shows main peaks at: 25.5°(0.28), 29.6°(0.08), 42.3°(1.0), 50.1°(0.14), 61.4°(0.15), 77.4°(0.3).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-186513 | 4.27 4.27 4.27
119 120 89
Mn -0.000 -0.000 -0.000
Ga 0.250 0.750 0.500
Ga 0.750 0.250 0.500
Pt 0.500 0.500 -0.000 |
Below is a description of a material. | The chemical formula is: La2CuPt.
The XRD pattern shows main peaks at: 21.1°(0.12), 34.7°(1.0), 41.0°(0.07), 49.9°(0.18), 62.3°(0.35), 73.3°(0.12), 83.7°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-157195 | 5.17 5.17 5.17
60 60 60
La 0.000 0.000 0.000
La 0.500 0.500 0.500
Cu 0.250 0.250 0.250
Pt 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: LiMn2O2F3.
The XRD pattern shows main peaks at: 8.5°(1.0), 18.5°(0.28), 20.7°(0.07), 25.4°(0.54), 25.7°(0.17), 26.7°(0.28), 31.3°(0.18), 32.5°(0.16), 36.8°(0.14), 38.1°(0.1), 38.8°(0.14), 45.1°(0.05), 46.9°(0.15), 48.3°(0.23), 50.6°(0.16), 57.2°(0.07), 58.6°(0.05), 59.4°(0.05), 61.2°(0.07), 69.... | JVASP-48337 | 3.77 5.17 10.39
92 90 111
Li 0.136 0.274 0.043
Li 0.863 0.729 0.956
Mn 0.139 0.281 0.452
Mn 0.179 0.360 0.756
Mn 0.820 0.643 0.243
Mn 0.860 0.722 0.547
O 0.049 0.100 0.611
O 0.680 0.363 0.442
O 0.319 0.641 0.557
O 0.951 0.904 0.389
F 0.034 0.070 0.878
F 0.697 0.396 0.085
F 0.235 0.474 0.278
F 0.764 0.530 0.722
F 0.303 ... |
Below is a description of a material. | The chemical formula is: Te4Mo3WS4.
The XRD pattern shows main peaks at: 2.5°(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-28777 | 3.37 3.37 35.77
90 90 120
Te 0.334 0.667 0.719
Te 0.667 0.333 0.407
Te 0.667 0.333 0.513
Te 0.333 0.667 0.613
Mo 0.333 0.667 0.103
Mo 0.667 0.333 0.273
Mo 0.667 0.334 0.666
W 0.333 0.667 0.460
S 0.333 0.666 0.316
S 0.667 0.333 0.061
S 0.667 0.333 0.146
S 0.333 0.667 0.231 |
Below is a description of a material. | The chemical formula is: CIN.
The XRD pattern shows main peaks at: 21.6°(0.79), 26.8°(1.0), 34.3°(0.4), 34.7°(0.25), 44.1°(0.21), 44.4°(0.26), 46.5°(0.06), 47.4°(0.21), 52.4°(0.26), 54.5°(0.21), 55.3°(0.13), 60.1°(0.12), 66.8°(0.12), 68.6°(0.07), 75.1°(0.08), 75.8°(0.1).
Generate atomic structure description with latti... | JVASP-114137 | 4.30 4.30 4.30
101 101 101
C 0.343 0.343 0.343
I -0.004 -0.004 -0.004
N 0.542 0.542 0.542 |
Below is a description of a material. | The chemical formula is: KSbO2.
The XRD pattern shows main peaks at: 17.6°(0.79), 19.3°(0.14), 22.1°(0.11), 27.6°(0.38), 29.2°(0.63), 32.0°(1.0), 34.3°(0.11), 37.1°(0.13), 38.4°(0.3), 45.0°(0.09), 46.7°(0.13), 47.9°(0.23), 48.7°(0.1), 53.5°(0.33), 56.2°(0.1), 56.9°(0.06), 58.6°(0.1), 60.6°(0.11).
Generate atomic struct... | JVASP-88787 | 5.70 5.63 5.63
91 113 113
K 0.250 0.632 0.368
K 0.750 0.368 0.632
Sb 0.750 0.898 0.102
Sb 0.250 0.102 0.898
O 0.219 0.127 0.239
O 0.281 0.761 0.873
O 0.719 0.239 0.127
O 0.781 0.873 0.761 |
Below is a description of a material. | The chemical formula is: Na4WO5.
The XRD pattern shows main peaks at: 11.6°(0.1), 16.7°(1.0), 17.4°(0.37), 20.2°(0.24), 22.4°(0.19), 23.2°(0.22), 24.4°(0.18), 25.0°(0.13), 27.6°(0.09), 32.5°(0.27), 33.1°(0.21), 33.7°(0.16), 34.3°(0.21), 39.1°(0.52), 39.9°(0.28), 51.3°(0.07), 55.2°(0.1), 56.8°(0.09), 57.4°(0.13).
Genera... | JVASP-176686 | 5.66 5.68 8.49
109 101 102
Na 0.211 0.418 0.904
Na 0.417 0.803 0.295
Na 0.700 0.396 0.398
Na 0.300 0.604 0.602
Na 0.789 0.582 0.096
Na -0.000 -0.000 0.500
Na 0.500 -0.000 -0.000
Na 0.583 0.197 0.705
W 0.895 0.795 0.793
W 0.105 0.205 0.207
O 0.602 0.629 0.844
O 0.398 0.371 0.156
O 0.690 0.819 0.597
O 0.310 0.181 0.403
O... |
Below is a description of a material. | The chemical formula is: BeBi4Pd.
The XRD pattern shows main peaks at: 17.0°(0.76), 32.9°(1.0), 34.4°(0.84), 39.9°(0.32), 43.7°(0.21), 52.6°(0.36), 57.7°(0.38), 60.6°(0.17), 68.0°(0.13), 68.9°(0.35), 72.5°(0.07), 75.1°(0.09), 81.9°(0.24), 86.1°(0.06).
Generate atomic structure description with lattice lengths, angles, ... | JVASP-65253 | 6.39 6.39 6.39
60 60 60
Be 0.000 0.000 0.000
Bi 0.124 0.625 0.625
Bi 0.625 0.625 0.625
Bi 0.625 0.124 0.625
Bi 0.625 0.625 0.124
Pd 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: Zn2CuRh.
The XRD pattern shows main peaks at: 42.7°(1.0), 62.0°(0.15), 78.2°(0.29).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-99435 | 4.24 4.24 4.24
60 60 60
Zn 0.250 0.250 0.250
Zn 0.750 0.750 0.750
Cu 0.500 0.500 0.500
Rh 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Li2CuGe.
The XRD pattern shows main peaks at: 25.9°(0.99), 42.9°(1.0), 50.8°(0.45), 62.3°(0.16), 68.6°(0.06), 78.6°(0.3).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-78923 | 4.22 4.22 4.22
60 59 59
Li 0.250 0.250 0.250
Li 0.500 0.500 0.500
Cu 0.750 0.750 0.750
Ge 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Mg3NiO4.
The XRD pattern shows main peaks at: 21.1°(0.24), 30.1°(0.2), 37.0°(0.28), 43.0°(1.0), 48.4°(0.11), 53.4°(0.08), 62.5°(0.58), 74.9°(0.14), 78.9°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-91608 | 4.20 4.20 4.20
90 90 90
Mg 0.000 0.500 0.500
Mg 0.500 0.000 0.500
Mg 0.500 0.500 0.000
Ni 0.000 0.000 0.000
O 0.500 0.000 0.000
O 0.500 0.500 0.500
O 0.000 0.000 0.500
O 0.000 0.500 0.000 |
Below is a description of a material. | The chemical formula is: SrSi3Au.
The XRD pattern shows main peaks at: 17.8°(0.24), 21.8°(0.46), 28.2°(0.43), 33.6°(1.0), 40.3°(0.35), 44.4°(0.11), 46.3°(0.21), 50.1°(0.17), 53.5°(0.33), 58.3°(0.11), 66.2°(0.18), 69.0°(0.18), 83.1°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates an... | JVASP-92517 | 4.48 4.48 5.90
112 112 90
Sr 1.000 1.000 0.999
Si 0.379 0.379 0.757
Si 0.756 0.256 0.511
Si 0.256 0.756 0.511
Au 0.633 0.633 0.266 |
Below is a description of a material. | The chemical formula is: CdAs2O6.
The XRD pattern shows main peaks at: 18.1°(0.05), 27.7°(1.0), 36.5°(0.33), 41.0°(0.06), 46.4°(0.21), 52.6°(0.36), 60.4°(0.21), 65.6°(0.11), 72.9°(0.06), 77.6°(0.08), 84.2°(0.11), 88.9°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types... | JVASP-61252 | 4.93 4.93 4.91
90 90 120
Cd 0.000 0.000 0.000
As 0.667 0.333 0.500
As 0.333 0.667 0.500
O 0.624 0.624 0.288
O 0.376 -0.000 0.288
O -0.000 0.376 0.288
O 0.624 0.000 0.712
O 0.376 0.376 0.712
O 0.000 0.624 0.712 |
Below is a description of a material. | The chemical formula is: MgTa2Be.
The XRD pattern shows main peaks at: 10.9°(1.0), 33.0°(0.23), 33.6°(0.55), 38.8°(0.78), 44.5°(0.09), 45.4°(0.26), 46.8°(0.12), 57.2°(0.18), 65.5°(0.12), 66.2°(0.18), 76.2°(0.12), 79.4°(0.18), 83.2°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates a... | JVASP-70976 | 2.83 2.83 8.14
90 90 90
Mg 0.500 0.500 0.711
Ta 0.000 0.000 0.002
Ta 0.500 0.500 0.292
Be 0.000 0.000 0.496 |
Below is a description of a material. | The chemical formula is: CaNiF6.
The XRD pattern shows main peaks at: 18.9°(0.09), 21.4°(0.23), 24.1°(1.0), 32.7°(0.47), 35.8°(0.09), 40.8°(0.32), 43.6°(0.21), 49.3°(0.09), 53.4°(0.4), 56.4°(0.07), 57.6°(0.13), 62.4°(0.13), 64.3°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-8347 | 5.52 5.52 5.52
54 54 54
Ca 0.500 0.500 0.500
Ni 0.000 0.000 0.000
F 0.381 0.044 0.799
F 0.044 0.799 0.381
F 0.201 0.619 0.956
F 0.956 0.201 0.619
F 0.619 0.956 0.201
F 0.799 0.381 0.044 |
Below is a description of a material. | The chemical formula is: ReN.
The XRD pattern shows main peaks at: 30.2°(0.45), 37.0°(0.84), 48.5°(1.0), 62.7°(0.08), 66.8°(0.19), 75.1°(0.37), 78.9°(0.11), 86.7°(0.19).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-37112 | 2.80 2.80 5.93
90 90 120
Re 0.000 0.000 0.500
Re 0.000 0.000 0.000
N 0.333 0.667 0.250
N 0.667 0.333 0.750 |
Below is a description of a material. | The chemical formula is: CaCu3Ge4O12.
The XRD pattern shows main peaks at: 34.7°(1.0), 49.9°(0.26), 62.2°(0.45), 73.2°(0.13), 83.6°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-49352 | 6.34 6.34 6.34
109 109 109
Ca 0.000 0.000 0.000
Cu 0.500 0.000 0.500
Cu -0.000 0.500 0.500
Cu 0.500 0.500 0.000
Ge 0.500 0.000 -0.000
Ge -0.000 0.500 0.000
Ge 0.500 0.500 0.500
Ge 0.000 0.000 0.500
O 0.301 0.118 0.817
O 0.882 0.183 0.699
O 0.817 0.301 0.118
O 0.517 0.817 0.699
O 0.699 0.882 0.183
O 0.118 0.817 0.301
O ... |
Below is a description of a material. | The chemical formula is: Li2PtO2.
The XRD pattern shows main peaks at: 19.7°(0.66), 25.5°(1.0), 30.4°(0.4), 37.5°(0.25), 38.3°(0.24), 40.0°(0.1), 41.8°(0.32), 42.7°(0.47), 48.1°(0.12), 52.5°(0.1), 56.0°(0.27), 56.6°(0.09), 58.0°(0.16), 59.3°(0.08), 61.8°(0.05), 63.4°(0.06), 65.7°(0.19).
Generate atomic structure descri... | JVASP-172095 | 3.11 5.13 3.78
68 90 107
Li 0.692 0.383 0.308
Li 0.308 0.617 0.692
Pt -0.000 -0.000 0.000
O 0.349 0.698 0.151
O 0.651 0.302 0.849 |
Below is a description of a material. | The chemical formula is: ErZnNi.
The XRD pattern shows main peaks at: 24.0°(0.08), 25.6°(0.19), 29.6°(0.16), 35.4°(1.0), 38.5°(0.78), 39.5°(0.43), 45.1°(0.23), 49.2°(0.19), 54.9°(0.18), 60.7°(0.27), 64.8°(0.19), 68.9°(0.12), 73.0°(0.21), 82.9°(0.09), 84.5°(0.08).
Generate atomic structure description with lattice lengt... | JVASP-90157 | 3.71 6.96 6.96
120 90 90
Er 0.500 0.592 -0.000
Er 0.500 0.408 0.408
Er 0.500 1.000 0.592
Zn 0.000 0.247 -0.000
Zn 0.000 0.753 0.753
Zn 0.000 1.000 0.247
Ni 0.000 0.333 0.667
Ni 0.000 0.667 0.333
Ni 0.500 1.000 -0.000 |
Below is a description of a material. | The chemical formula is: MnS.
The XRD pattern shows main peaks at: 29.5°(0.6), 29.9°(0.93), 33.5°(1.0), 42.5°(0.34), 53.2°(0.67), 54.9°(0.82), 62.0°(0.36), 64.3°(0.13), 79.9°(0.28), 86.6°(0.16), 88.1°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-78961 | 3.45 3.45 6.06
90 90 60
Mn 0.667 0.667 0.007
Mn 0.333 0.333 0.507
S 0.333 0.333 0.868
S 0.667 0.667 0.368 |
Below is a description of a material. | The chemical formula is: NaHSe.
The XRD pattern shows main peaks at: 24.1°(0.41), 28.9°(0.09), 29.4°(1.0), 38.8°(0.33), 45.1°(0.25), 46.1°(0.06), 49.3°(0.18), 61.0°(0.1), 64.6°(0.12), 70.0°(0.05), 73.6°(0.09), 74.5°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-135017 | 4.08 4.66 6.18
90 100 90
Na 0.749 0.750 0.242
Na 0.251 0.250 0.758
H 0.442 0.750 0.602
H 0.558 0.250 0.398
Se 0.768 0.750 0.758
Se 0.232 0.250 0.242 |
Below is a description of a material. | The chemical formula is: Tb4Ga12Fe.
The XRD pattern shows main peaks at: 20.7°(0.12), 29.4°(0.24), 36.2°(1.0), 42.1°(0.64), 47.4°(0.07), 52.2°(0.08), 61.1°(0.36), 69.2°(0.06), 73.1°(0.37).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-159260 | 7.43 7.43 7.43
109 109 109
Tb -0.000 0.500 0.000
Tb -0.000 0.000 0.500
Tb 0.500 0.500 0.500
Tb 0.500 -0.000 -0.000
Ga 0.281 0.281 -0.000
Ga 0.719 0.719 0.000
Ga -0.000 0.281 0.281
Ga -0.000 0.719 0.719
Ga 0.281 -0.000 0.281
Ga 0.250 0.750 0.500
Ga 0.750 0.250 0.500
Ga 0.500 0.250 0.750
Ga 0.500 0.750 0.250
Ga 0.750 0.5... |
Below is a description of a material. | The chemical formula is: VSiAs.
The XRD pattern shows main peaks at: 11.8°(0.42), 35.5°(0.93), 37.2°(0.69), 39.1°(0.92), 44.8°(1.0), 53.6°(0.58), 61.7°(0.07), 62.6°(0.1), 65.9°(0.29), 68.1°(0.15), 72.4°(0.48), 79.2°(0.18), 86.1°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and ... | JVASP-193186 | 3.42 3.42 7.52
90 90 90
As 0.250 0.250 0.615
As 0.750 0.750 0.385
Si 0.750 0.250 -0.000
Si 0.250 0.750 -0.000
V 0.250 0.250 0.252
V 0.750 0.750 0.748 |
Below is a description of a material. | The chemical formula is: BiSbPt2.
The XRD pattern shows main peaks at: 23.7°(0.34), 28.7°(0.63), 40.2°(1.0), 41.7°(0.76), 51.4°(0.14), 55.0°(0.11), 59.3°(0.32), 66.9°(0.06), 68.3°(0.11), 75.1°(0.32), 76.1°(0.12), 82.0°(0.21).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types... | JVASP-101227 | 4.33 4.33 5.59
90 90 120
Bi 0.000 0.000 0.000
Sb 0.333 0.667 0.500
Pt 0.667 0.333 0.745
Pt 0.667 0.333 0.255 |
Below is a description of a material. | The chemical formula is: Fe6O7F5.
The XRD pattern shows main peaks at: 26.7°(1.0), 28.5°(0.85), 35.9°(0.95), 39.3°(0.08), 40.5°(0.14), 41.8°(0.14), 53.3°(0.36), 55.0°(0.17), 55.4°(0.31), 59.1°(0.15), 62.1°(0.16), 69.0°(0.2), 69.6°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates an... | JVASP-141612 | 4.56 5.48 7.54
85 87 86
Fe 0.518 0.828 0.649
Fe 0.512 0.483 -0.003
Fe 0.492 0.171 0.343
Fe 0.033 0.342 0.689
Fe 0.978 0.655 0.306
Fe 0.974 0.011 0.011
O 0.208 0.301 0.908
O 0.289 0.459 0.238
O 0.305 0.132 0.567
O 0.699 0.540 0.768
O 0.706 0.203 0.117
O 0.793 0.699 0.093
O 0.704 0.864 0.423
F 0.215 0.958 0.231
F 0.803 0... |
Below is a description of a material. | The chemical formula is: Pr2ZnRu.
The XRD pattern shows main peaks at: 24.6°(0.07), 35.1°(1.0), 50.5°(0.18), 63.0°(0.35), 74.2°(0.11), 84.8°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-42858 | 5.11 5.11 5.11
60 60 60
Pr 0.000 0.000 0.000
Pr 0.500 0.500 0.500
Zn 0.750 0.750 0.750
Ru 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: Sr2Nd2CrNiO8.
The XRD pattern shows main peaks at: 18.0°(0.06), 21.7°(0.08), 24.4°(0.17), 28.5°(0.11), 31.8°(1.0), 33.3°(0.53), 43.2°(0.24), 44.4°(0.24), 47.8°(0.36), 55.7°(0.11), 56.8°(0.1), 58.5°(0.22), 66.4°(0.11), 69.7°(0.06), 78.8°(0.08).
Generate atomic structure description with lattice ... | JVASP-141415 | 6.82 6.82 5.40
90 90 133
Sr 0.854 0.146 0.500
Sr 0.644 0.356 0.000
Nd 0.363 0.637 0.000
Nd 0.137 0.863 0.500
Cr 0.501 0.499 0.500
Ni 0.998 0.002 0.000
O 0.180 0.820 0.000
O 0.658 0.342 0.500
O 0.328 0.672 0.500
O 0.834 0.166 0.000
O 0.254 0.253 0.744
O 0.747 0.746 0.256
O 0.254 0.253 0.256
O 0.747 0.746 0.744 |
Below is a description of a material. | The chemical formula is: UCo4B.
The XRD pattern shows main peaks at: 21.2°(0.41), 25.7°(0.09), 33.5°(1.0), 37.2°(0.33), 38.9°(0.05), 43.2°(0.59), 45.7°(0.88), 52.8°(0.12), 57.5°(0.09), 64.7°(0.32), 66.3°(0.16), 70.5°(0.17), 73.0°(0.22), 79.2°(0.16).
Generate atomic structure description with lattice lengths, angles, co... | JVASP-144795 | 4.84 4.84 6.94
90 90 120
U 0.000 0.000 0.000
U 0.000 0.000 0.500
Co 0.667 0.333 0.000
Co 0.333 0.667 0.000
Co 0.500 0.500 0.713
Co 0.500 0.000 0.713
Co -0.000 0.500 0.713
Co 0.500 0.500 0.287
Co 0.500 0.000 0.287
Co -0.000 0.500 0.287
B 0.667 0.333 0.500
B 0.333 0.667 0.500 |
Below is a description of a material. | The chemical formula is: Rh3Xe.
The XRD pattern shows main peaks at: 37.5°(1.0), 43.6°(0.52), 63.4°(0.35), 76.1°(0.41), 80.1°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-126613 | 4.15 4.15 4.15
90 90 90
Rh 0.000 0.000 0.500
Rh 0.500 0.500 0.500
Rh 0.500 0.000 0.000
Xe 0.000 0.500 0.000 |
Below is a description of a material. | The chemical formula is: BiAsPbO5.
The XRD pattern shows main peaks at: 13.5°(0.09), 26.2°(0.07), 27.0°(1.0), 30.0°(0.65), 31.2°(0.21), 32.2°(0.33), 35.5°(0.16), 40.1°(0.08), 42.5°(0.06), 44.0°(0.15), 45.5°(0.24), 48.6°(0.18), 51.2°(0.12), 54.2°(0.15), 55.5°(0.11), 56.0°(0.24), 57.0°(0.12), 62.5°(0.07), 63.0°(0.07), 76... | JVASP-154382 | 7.24 7.24 7.12
69 69 45
Bi 0.013 0.013 0.744
Bi 0.987 0.987 0.256
As 0.338 0.338 0.647
As 0.662 0.662 0.353
Pb 0.337 0.337 0.126
Pb 0.663 0.663 0.874
O 0.237 0.763 0.000
O 0.763 0.237 -0.000
O 0.420 0.420 0.394
O 0.580 0.580 0.606
O 0.606 0.107 0.776
O 0.893 0.394 0.224
O 0.394 0.893 0.224
O 0.107 0.606 0.776
O 0.203 0... |
Below is a description of a material. | The chemical formula is: Ba2VO3.
The XRD pattern shows main peaks at: 23.4°(0.23), 26.7°(0.26), 30.1°(1.0), 31.8°(0.97), 40.5°(0.18), 42.0°(0.4), 45.3°(0.21), 45.8°(0.21), 52.4°(0.24), 53.3°(0.17), 53.8°(0.07), 55.4°(0.23), 55.7°(0.27), 62.4°(0.09), 62.8°(0.09), 66.4°(0.13), 72.8°(0.08), 74.2°(0.08), 75.1°(0.11), 80.8°... | JVASP-180861 | 7.25 7.25 7.25
147 148 45
Ba 0.645 0.645 -0.000
Ba 0.355 0.355 0.000
V -0.000 -0.000 -0.000
O 0.854 0.854 -0.000
O 0.146 0.146 0.000
O 0.500 -0.000 0.500 |
Below is a description of a material. | The chemical formula is: BeCdCl2.
The XRD pattern shows main peaks at: 9.8°(0.56), 19.7°(0.35), 28.0°(0.32), 29.8°(1.0), 34.5°(0.8), 40.1°(0.44), 41.4°(0.29), 45.0°(0.16), 49.6°(0.06), 50.7°(0.28), 58.0°(0.2), 59.0°(0.26), 61.8°(0.06), 65.6°(0.06), 66.5°(0.28), 69.2°(0.18), 73.7°(0.07), 87.4°(0.15).
Generate atomic str... | JVASP-138102 | 3.18 3.18 8.99
90 90 90
Be 0.500 0.500 0.596
Cd 0.000 0.000 0.107
Cl 0.000 0.000 0.507
Cl 0.500 0.500 0.801 |
Below is a description of a material. | The chemical formula is: NaGaHg2.
The XRD pattern shows main peaks at: 14.8°(1.0), 16.8°(0.1), 29.9°(0.54), 30.3°(0.55), 32.9°(0.92), 33.9°(0.3), 36.3°(0.52), 43.1°(0.4), 45.1°(0.75), 55.6°(0.2), 57.8°(0.13), 60.4°(0.08), 63.1°(0.07), 64.4°(0.26), 69.0°(0.13), 71.4°(0.1), 77.0°(0.14).
Generate atomic structure descript... | JVASP-81637 | 11.94 6.83 6.83
25 29 29
Na 0.000 0.000 0.000
Ga 0.500 -0.000 0.000
Hg 0.740 -0.000 0.000
Hg 0.260 0.000 -0.000 |
Below is a description of a material. | The chemical formula is: PmCdAg2.
The XRD pattern shows main peaks at: 35.9°(1.0), 51.7°(0.17), 64.5°(0.32), 76.1°(0.1), 87.1°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-42112 | 5.00 5.00 5.00
60 60 60
Pm 0.750 0.750 0.750
Cd 0.250 0.250 0.250
Ag 0.000 0.000 0.000
Ag 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Ca2PdRh.
The XRD pattern shows main peaks at: 17.2°(0.35), 32.8°(1.0), 34.9°(0.35), 37.3°(0.29), 48.7°(0.67), 58.5°(0.15), 68.9°(0.09), 70.0°(0.17), 79.6°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-82115 | 10.29 6.03 6.03
30 31 31
Ca 0.755 0.000 0.000
Ca 0.245 -0.000 -0.000
Pd 0.500 0.000 0.000
Rh 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: VOF.
The XRD pattern shows main peaks at: 27.1°(1.0), 35.1°(0.44), 40.2°(0.25), 53.2°(0.42), 56.0°(0.16), 67.6°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-167264 | 4.63 4.66 9.20
90 89 90
V 0.968 0.964 -0.000
V 0.026 0.024 0.333
V 0.045 0.007 0.667
V 0.532 0.464 0.167
V 0.474 0.524 0.834
V 0.455 0.507 0.500
O 0.197 0.815 0.501
O 0.191 0.812 0.832
O 0.309 0.312 0.335
O 0.303 0.315 0.666
O 0.688 0.678 0.000
O 0.812 0.178 0.167
F 0.208 0.789 0.167
F 0.292 0.289 0.000
F 0.711 0.697 0... |
Below is a description of a material. | The chemical formula is: K2MgCl4.
The XRD pattern shows main peaks at: 11.4°(0.26), 25.6°(0.36), 28.1°(0.48), 34.1°(0.13), 34.6°(1.0), 36.6°(0.73), 51.2°(0.36), 52.7°(0.23), 64.5°(0.17), 77.7°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-3774 | 4.91 4.91 8.53
106 106 90
K 0.642 0.642 0.284
K 0.358 0.358 0.716
Mg 0.000 0.000 0.000
Cl 0.839 0.839 0.678
Cl 0.161 0.161 0.322
Cl -0.000 0.500 -0.000
Cl 0.500 0.000 0.000 |
Below is a description of a material. | The chemical formula is: PrNd3.
The XRD pattern shows main peaks at: 28.0°(0.08), 29.0°(0.43), 30.2°(0.34), 31.9°(1.0), 36.2°(0.23), 47.9°(0.1), 49.5°(0.25), 58.4°(0.06), 59.1°(0.3), 60.1°(0.16), 81.5°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-128005 | 3.68 3.68 11.84
90 90 119
Pr 0.000 0.000 0.000
Nd 0.000 0.000 0.500
Nd 0.333 0.667 0.251
Nd 0.667 0.333 0.749 |
Below is a description of a material. | The chemical formula is: Cu.
The XRD pattern shows main peaks at: 44.4°(1.0), 64.7°(0.16), 81.9°(0.29).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-25414 | 2.50 2.50 2.50
109 109 109
Cu 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: BeVSi4.
The XRD pattern shows main peaks at: 22.6°(0.3), 26.1°(0.2), 37.3°(0.28), 44.0°(1.0), 46.1°(0.46), 53.8°(0.05), 60.7°(0.07), 67.3°(0.08), 72.0°(0.3), 79.5°(0.26).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-65155 | 4.82 4.82 4.82
60 60 60
Be 0.000 0.000 0.000
V 0.250 0.250 0.250
Si 0.127 0.624 0.624
Si 0.624 0.624 0.624
Si 0.624 0.127 0.624
Si 0.624 0.624 0.127 |
Below is a description of a material. | The chemical formula is: TiNbMo2.
The XRD pattern shows main peaks at: 24.1°(0.05), 39.9°(1.0), 57.7°(0.16), 72.4°(0.33), 86.0°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-189444 | 4.52 4.52 4.52
60 60 60
Mo 0.250 0.250 0.250
Mo 0.750 0.750 0.750
Nb 0.500 0.500 0.500
Ti 0.000 -0.000 0.000 |
Below is a description of a material. | The chemical formula is: Sc3Os.
The XRD pattern shows main peaks at: 16.5°(0.3), 25.4°(0.47), 28.7°(0.28), 33.3°(0.24), 38.7°(1.0), 48.9°(0.29), 52.1°(0.13), 59.5°(0.16), 65.7°(0.11), 70.3°(0.14), 73.3°(0.27).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-109592 | 6.22 6.22 4.63
90 90 120
Sc 0.825 0.175 0.750
Sc 0.351 0.175 0.750
Sc 0.825 0.649 0.750
Sc 0.175 0.825 0.250
Sc 0.649 0.825 0.250
Sc 0.175 0.351 0.250
Os 0.667 0.333 0.250
Os 0.333 0.667 0.750 |
Below is a description of a material. | The chemical formula is: Pu3Ge.
The XRD pattern shows main peaks at: 19.6°(0.12), 27.9°(0.09), 34.3°(1.0), 39.8°(0.51), 44.7°(0.06), 57.5°(0.32), 68.7°(0.41), 72.2°(0.11), 85.8°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-55213 | 4.53 4.53 4.53
90 90 90
Pu 0.500 0.000 0.500
Pu 0.000 0.500 0.500
Pu 0.500 0.500 0.000
Ge 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: TbPPt.
The XRD pattern shows main peaks at: 24.8°(0.25), 34.0°(1.0), 43.6°(0.39), 46.8°(0.11), 53.7°(0.06), 56.4°(0.23), 65.9°(0.23), 73.9°(0.21), 78.6°(0.09), 80.1°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-15766 | 4.15 4.15 3.88
90 90 120
Tb 0.000 0.000 0.000
P 0.667 0.333 0.500
Pt 0.333 0.667 0.500 |
Below is a description of a material. | The chemical formula is: Tm2InAu2.
The XRD pattern shows main peaks at: 15.9°(0.13), 33.5°(0.12), 35.4°(1.0), 36.1°(0.36), 41.3°(0.07), 46.1°(0.08), 48.6°(0.08), 49.1°(0.07), 49.9°(0.11), 54.2°(0.09), 63.1°(0.15), 65.6°(0.07), 69.2°(0.16), 72.6°(0.08).
Generate atomic structure description with lattice lengths, angles,... | JVASP-171380 | 7.30 7.88 7.88
90 90 90
Tm 0.500 0.167 0.833
Tm 0.500 0.833 0.167
Tm -0.000 0.333 0.333
Tm -0.000 0.667 0.667
Tm 0.500 0.668 0.668
Tm 0.500 0.332 0.332
Tm -0.000 0.832 0.168
Tm -0.000 0.168 0.832
In 0.250 0.000 0.500
In 0.750 0.500 -0.000
In 0.750 0.000 0.500
In 0.250 0.500 -0.000
Au 0.250 0.370 0.630
Au 0.250 0.630 0.... |
Below is a description of a material. | The chemical formula is: YbAu.
The XRD pattern shows main peaks at: 36.0°(1.0), 51.8°(0.18), 64.6°(0.36), 76.3°(0.11), 87.3°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-15069 | 3.53 3.53 3.53
90 90 90
Yb 0.500 0.500 0.500
Au 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Mo2OsHRh.
The XRD pattern shows main peaks at: 22.3°(0.06), 39.5°(1.0), 45.6°(0.33), 46.5°(0.16), 66.4°(0.12), 67.2°(0.21), 80.1°(0.26), 81.5°(0.13), 84.9°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-187536 | 3.98 3.98 3.90
90 90 90
Rh 0.500 0.500 0.500
Mo 0.000 0.500 -0.000
Mo 0.500 -0.000 0.000
Os 0.000 -0.000 0.500
H 0.000 -0.000 0.000 |
Below is a description of a material. | The chemical formula is: Mg2TlAs2.
The XRD pattern shows main peaks at: 11.9°(0.38), 23.2°(0.11), 26.1°(1.0), 33.6°(0.75), 36.3°(0.11), 40.8°(0.44), 43.5°(0.21), 49.1°(0.21), 53.8°(0.2), 55.7°(0.2), 67.6°(0.09), 74.2°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-156321 | 4.43 4.43 7.43
90 89 119
Mg 0.333 0.667 0.360
Mg 0.667 0.333 0.640
Tl 0.000 0.000 0.000
As 0.667 0.333 0.270
As 0.333 0.667 0.730 |
Below is a description of a material. | The chemical formula is: Na5Ti3O8.
The XRD pattern shows main peaks at: 16.5°(0.32), 17.6°(0.09), 33.4°(0.1), 35.6°(0.19), 40.7°(1.0), 52.6°(0.06), 57.4°(0.25), 60.4°(0.24), 68.1°(0.05), 70.8°(0.07), 75.4°(0.1), 88.1°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-165745 | 6.43 6.13 6.13
60 90 118
Na 0.125 0.250 0.125
Na 0.625 0.750 0.125
Na 0.125 0.750 0.125
Na 0.125 0.250 0.625
Na 0.125 0.750 0.625
Ti 0.625 0.250 0.125
Ti 0.625 0.250 0.625
Ti 0.625 0.750 0.625
O 0.833 0.222 0.389
O 0.827 0.703 0.421
O 0.827 0.248 0.876
O 0.423 0.252 0.374
O 0.423 0.797 0.374
O 0.417 0.278 0.861
O 0.827... |
Below is a description of a material. | The chemical formula is: VGa2.
The XRD pattern shows main peaks at: 19.7°(0.3), 28.0°(0.4), 34.0°(0.13), 40.1°(0.72), 44.7°(1.0), 53.6°(0.15), 58.0°(0.23), 71.7°(0.06), 76.0°(0.38), 85.4°(0.14), 86.5°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-185449 | 5.21 2.63 5.21
120 104 59
V 0.909 0.073 0.002
Ga 0.409 0.073 0.002
Ga 0.909 0.073 0.502 |
Below is a description of a material. | The chemical formula is: K2VCuS4.
The XRD pattern shows main peaks at: 15.9°(1.0), 27.7°(0.53), 29.2°(0.73), 32.3°(0.08), 33.4°(0.33), 36.0°(0.23), 39.5°(0.13), 41.1°(0.38), 42.9°(0.13), 44.6°(0.2), 49.3°(0.19), 53.0°(0.09), 54.8°(0.22), 57.7°(0.06), 59.9°(0.1), 69.3°(0.06).
Generate atomic structure description with l... | JVASP-11373 | 5.42 6.94 11.53
84 76 67
K 0.446 0.750 0.109
K 0.196 0.250 0.609
K 0.804 0.750 0.391
K 0.554 0.250 0.891
V 0.375 0.250 0.250
V 0.625 0.750 0.750
Cu 0.125 0.750 0.750
Cu 0.875 0.250 0.250
S 0.102 0.449 0.138
S 0.898 0.551 0.862
S 0.240 0.949 0.862
S 0.551 0.551 0.638
S 0.189 0.051 0.362
S 0.449 0.449 0.362
S 0.760 0.051... |
Below is a description of a material. | The chemical formula is: Ti2TlH2.
The XRD pattern shows main peaks at: 18.7°(0.29), 26.7°(0.62), 35.5°(0.53), 38.0°(1.0), 40.5°(0.19), 51.1°(0.19), 53.0°(0.12), 54.9°(0.14), 58.6°(0.18), 65.5°(0.4), 70.3°(0.15), 75.2°(0.07), 81.3°(0.1), 86.0°(0.08), 87.5°(0.08).
Generate atomic structure description with lattice length... | JVASP-191617 | 3.57 3.57 5.37
70 70 90
H 0.750 0.250 0.500
H 0.250 0.750 0.500
Tl -0.000 -0.000 0.000
Ti 0.325 0.325 0.350
Ti 0.675 0.675 0.650 |
Below is a description of a material. | The chemical formula is: LiGaCoGe.
The XRD pattern shows main peaks at: 26.2°(0.2), 30.3°(0.19), 43.4°(1.0), 51.4°(0.07), 53.9°(0.05), 63.1°(0.17), 71.6°(0.07), 79.7°(0.32).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-190152 | 4.17 4.17 4.17
60 59 60
Ge 0.500 0.500 0.500
Co 0.750 0.750 0.750
Ga -0.000 0.000 0.000
Li 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: MgGa2.
The XRD pattern shows main peaks at: 21.1°(0.29), 22.2°(0.14), 25.3°(0.09), 28.9°(0.07), 34.2°(0.06), 35.1°(0.52), 36.5°(0.62), 37.2°(0.78), 38.9°(1.0), 42.2°(0.5), 47.4°(0.21), 55.5°(0.13), 61.8°(0.23), 62.7°(0.15), 67.3°(0.17), 70.6°(0.15), 72.0°(0.06), 73.0°(0.1), 77.2°(0.11), 83.5°(0... | JVASP-166049 | 8.91 5.25 6.22
90 127 90
Mg 0.000 0.897 0.250
Mg 0.000 0.103 0.750
Mg 0.500 0.397 0.250
Mg 0.500 0.603 0.750
Ga 0.663 0.102 0.749
Ga 0.337 0.102 0.751
Ga 0.663 0.898 0.249
Ga 0.837 0.398 0.251
Ga 0.163 0.602 0.749
Ga 0.837 0.602 0.751
Ga 0.163 0.398 0.249
Ga 0.337 0.898 0.251 |
Below is a description of a material. | The chemical formula is: ScNiSn.
The XRD pattern shows main peaks at: 14.2°(0.13), 24.7°(0.28), 25.1°(0.26), 35.5°(1.0), 38.2°(0.47), 38.4°(0.57), 43.5°(0.51), 46.2°(0.44), 50.9°(0.12), 51.6°(0.2), 59.2°(0.05), 65.2°(0.1), 65.9°(0.18), 69.7°(0.24), 71.0°(0.34), 86.7°(0.05).
Generate atomic structure description with la... | JVASP-169412 | 3.54 7.20 7.20
120 90 90
Sc -0.000 0.396 0.000
Sc 0.000 0.604 0.604
Sc -0.000 1.000 0.396
Ni 0.000 -0.000 -0.000
Ni 0.500 0.333 0.667
Ni 0.500 0.667 0.333
Sn 0.500 0.729 -0.000
Sn 0.500 0.271 0.271
Sn 0.500 1.000 0.729 |
Below is a description of a material. | The chemical formula is: Te2MoW3Se6.
The XRD pattern shows main peaks at: 2.4°(1.0), 4.9°(0.07), 12.2°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-28974 | 3.39 3.39 36.40
89 90 119
Te 0.333 0.667 0.335
Te 0.333 0.667 0.231
Mo 0.333 0.667 0.093
W 0.333 0.667 0.474
W 0.667 0.333 0.283
W 0.667 0.333 0.654
Se 0.333 0.667 0.699
Se 0.667 0.333 0.047
Se 0.667 0.333 0.428
Se 0.667 0.333 0.138
Se 0.667 0.333 0.519
Se 0.333 0.667 0.608 |
Below is a description of a material. | The chemical formula is: ScBe.
The XRD pattern shows main peaks at: 21.4°(0.54), 33.2°(0.61), 39.8°(1.0), 43.5°(0.14), 55.8°(0.26), 59.2°(0.14), 63.7°(0.14), 69.6°(0.06), 73.8°(0.12), 76.3°(0.14), 77.4°(0.11), 85.8°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-129561 | 3.12 3.12 4.16
90 90 120
Sc 0.333 0.667 0.250
Be 0.667 0.333 0.750 |
Below is a description of a material. | The chemical formula is: NaBi3I2O4.
The XRD pattern shows main peaks at: 13.3°(0.09), 16.9°(0.07), 20.5°(0.06), 23.0°(0.07), 29.9°(1.0), 31.3°(0.34), 40.6°(0.09), 44.9°(0.19), 52.2°(0.22), 54.9°(0.34), 62.1°(0.11), 67.3°(0.1), 73.5°(0.08), 74.3°(0.06), 84.7°(0.05), 88.3°(0.1).
Generate atomic structure description with... | JVASP-103065 | 7.25 7.25 5.70
90 90 133
Na 0.336 0.664 0.500
Bi 0.834 0.166 0.000
Bi 0.168 0.832 0.000
Bi 0.667 0.333 0.500
I 0.496 0.504 0.000
I 0.005 0.995 0.500
O 0.507 0.010 0.758
O 0.990 0.493 0.242
O 0.990 0.493 0.758
O 0.507 0.010 0.242 |
Below is a description of a material. | The chemical formula is: Be2CrRh.
The XRD pattern shows main peaks at: 15.5°(0.4), 31.2°(0.54), 33.1°(0.96), 36.8°(0.16), 46.2°(1.0), 47.6°(0.42), 50.3°(0.08), 58.0°(0.38), 59.3°(0.05), 65.2°(0.08), 69.5°(0.16), 75.1°(0.17), 78.2°(0.15), 79.2°(0.14), 84.6°(0.15), 87.6°(0.3).
Generate atomic structure description with l... | JVASP-71566 | 2.70 2.70 5.73
90 90 90
Be 0.000 0.000 0.732
Be 0.000 0.000 0.268
Cr 0.500 0.500 0.000
Rh 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: YBi2IO4.
The XRD pattern shows main peaks at: 18.4°(0.08), 22.6°(0.08), 29.3°(1.0), 32.1°(0.32), 37.3°(0.15), 46.1°(0.17), 50.0°(0.28), 55.5°(0.34), 60.7°(0.11), 67.2°(0.06), 74.9°(0.07), 76.4°(0.06), 88.3°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates a... | JVASP-26392 | 3.94 3.94 9.64
90 90 90
Y 0.000 0.000 0.000
Bi 0.500 0.500 0.742
Bi 0.500 0.500 0.258
I 0.000 0.000 0.500
O 0.000 0.500 0.858
O 0.000 0.500 0.142
O 0.500 0.000 0.858
O 0.500 0.000 0.142 |
Below is a description of a material. | The chemical formula is: TbSi2Ni2.
The XRD pattern shows main peaks at: 24.2°(0.45), 31.7°(0.06), 36.1°(0.51), 37.0°(1.0), 37.7°(0.14), 45.4°(0.4), 53.2°(0.15), 59.4°(0.22), 60.5°(0.15), 66.2°(0.12), 67.7°(0.15), 78.3°(0.21).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types... | JVASP-15388 | 3.99 3.99 5.54
111 111 90
Tb 0.000 0.000 0.000
Si 0.627 0.627 0.255
Si 0.373 0.373 0.745
Ni 0.750 0.250 0.500
Ni 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: BaCo2Sb.
The XRD pattern shows main peaks at: 12.5°(0.09), 25.2°(0.22), 25.7°(0.2), 28.7°(0.09), 36.3°(1.0), 36.7°(0.66), 45.0°(0.19), 46.6°(0.06), 52.8°(0.22), 54.0°(0.05), 58.6°(0.21), 59.4°(0.09), 65.1°(0.07), 65.8°(0.34), 78.0°(0.07), 82.8°(0.15), 89.4°(0.11).
Generate atomic structure desc... | JVASP-65404 | 3.47 3.47 7.07
90 90 90
Ba 0.500 0.500 0.500
Co 0.000 0.000 0.831
Co 0.000 0.000 0.169
Sb 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: Li2ZnPt.
The XRD pattern shows main peaks at: 18.1°(1.0), 22.1°(0.28), 33.0°(0.1), 34.2°(0.1), 36.7°(0.2), 37.9°(0.37), 41.0°(0.15), 42.3°(0.53), 45.1°(0.19), 53.8°(0.29), 56.2°(0.13), 69.3°(0.05), 70.0°(0.1), 72.6°(0.06), 75.5°(0.09), 78.2°(0.06), 84.2°(0.08).
Generate atomic structure descrip... | JVASP-180971 | 5.55 5.55 5.55
150 133 56
Li 0.748 0.748 -0.000
Li 0.252 0.252 0.000
Zn -0.000 -0.000 -0.000
Pt 0.500 0.500 -0.000 |
Below is a description of a material. | The chemical formula is: AlMoS2.
The XRD pattern shows main peaks at: 13.2°(1.0), 26.6°(0.22), 28.4°(0.23), 31.4°(0.25), 39.3°(0.93), 40.6°(0.63), 42.9°(0.21), 49.2°(0.14), 50.1°(0.36), 58.8°(0.2), 60.5°(0.07), 62.9°(0.06), 65.6°(0.06), 68.2°(0.06), 70.3°(0.07), 73.0°(0.28), 77.4°(0.08), 80.8°(0.18), 84.4°(0.1), 87.9°(... | JVASP-180729 | 3.14 3.14 6.70
90 90 90
Al 0.500 0.500 0.611
Mo 0.000 -0.000 0.874
S -0.000 -0.000 0.472
S 0.500 0.500 0.053 |
Below is a description of a material. | The chemical formula is: ScAl2Ir.
The XRD pattern shows main peaks at: 18.5°(0.61), 22.4°(0.15), 25.1°(0.49), 26.7°(1.0), 31.4°(0.27), 34.7°(0.29), 37.9°(0.75), 39.8°(0.32), 44.1°(0.49), 45.3°(0.44), 48.2°(0.12), 51.4°(0.17), 53.1°(0.2), 55.1°(0.13), 59.3°(0.14), 60.8°(0.18), 72.9°(0.11), 76.9°(0.2), 78.5°(0.12), 87.8°... | JVASP-156170 | 5.21 5.21 7.09
89 89 46
Sc 0.429 0.429 0.250
Sc 0.571 0.571 0.750
Al 0.144 0.144 0.052
Al 0.144 0.144 0.448
Al 0.856 0.856 0.552
Al 0.856 0.856 0.948
Ir 0.714 0.714 0.250
Ir 0.286 0.286 0.750 |
Below is a description of a material. | The chemical formula is: CdSiN2.
The XRD pattern shows main peaks at: 21.3°(0.4), 34.1°(1.0), 37.2°(0.27), 37.6°(0.15), 43.3°(0.23), 43.9°(0.08), 53.7°(0.14), 58.9°(0.23), 65.1°(0.26), 71.8°(0.09), 89.3°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-110299 | 5.35 4.83 8.25
90 140 116
Cd -0.000 0.500 0.750
Cd 0.000 0.000 0.500
Si -0.000 0.500 0.250
Si 0.000 0.000 0.000
N 0.500 0.094 0.125
N 0.500 0.906 0.625
N 0.312 0.406 0.281
N 0.688 0.594 0.969 |
Below is a description of a material. | The chemical formula is: Pa3Fe.
The XRD pattern shows main peaks at: 20.0°(0.16), 28.5°(0.14), 35.1°(1.0), 40.7°(0.56), 45.8°(0.08), 50.4°(0.06), 58.9°(0.38), 70.4°(0.43), 74.1°(0.13), 88.1°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-125682 | 4.43 4.43 4.43
90 90 90
Pa 0.000 0.500 0.000
Pa 0.500 0.000 0.000
Pa 0.500 0.500 0.500
Fe 0.000 0.000 0.500 |
Below is a description of a material. | The chemical formula is: Bi5N.
The XRD pattern shows main peaks at: 24.6°(0.06), 25.8°(0.29), 29.1°(1.0), 33.8°(0.42), 38.5°(0.15), 39.7°(0.25), 43.4°(0.45), 53.1°(0.19), 56.1°(0.11), 59.4°(0.25), 60.2°(0.08), 70.8°(0.17), 73.5°(0.1), 77.1°(0.08), 79.6°(0.08).
Generate atomic structure description with lattice lengths,... | JVASP-123821 | 4.17 4.17 11.69
90 90 120
Bi 0.667 0.333 0.153
Bi 0.667 0.333 0.545
Bi 0.333 0.667 0.383
Bi 0.333 0.667 0.931
Bi 0.000 0.000 0.771
N 0.000 0.000 0.217 |
Below is a description of a material. | The chemical formula is: SrHCl.
The XRD pattern shows main peaks at: 15.9°(0.19), 16.8°(1.0), 19.3°(0.7), 23.2°(0.15), 25.6°(0.71), 32.0°(0.19), 33.9°(0.18), 36.4°(0.29), 37.4°(0.14), 37.9°(0.13), 39.2°(0.26), 41.2°(0.18), 41.7°(0.19), 42.8°(0.18), 47.3°(0.13), 51.4°(0.09), 51.8°(0.18), 52.7°(0.09), 54.1°(0.09), 54.8°(... | JVASP-118061 | 7.19 5.59 5.29
90 90 39
Sr -0.112 0.441 0.000
H 0.388 -0.059 0.000
Cl -0.111 -0.060 0.000 |
Below is a description of a material. | The chemical formula is: TiNbOs2.
The XRD pattern shows main peaks at: 28.3°(0.28), 40.4°(1.0), 50.1°(0.08), 58.5°(0.18), 66.3°(0.11), 73.6°(0.36), 87.5°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-158764 | 4.46 4.46 4.46
60 60 60
Ti 0.750 0.750 0.750
Nb 0.250 0.250 0.250
Os 0.000 0.000 0.000
Os 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: BiBAs.
The XRD pattern shows main peaks at: 24.4°(0.38), 28.2°(1.0), 40.3°(0.87), 47.7°(0.21), 49.9°(0.28), 58.3°(0.15), 64.1°(0.09), 66.0°(0.37), 73.3°(0.3), 78.5°(0.07), 87.1°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-75499 | 4.47 4.47 4.47
60 60 60
Bi 0.000 0.000 0.000
B 0.750 0.750 0.750
As 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: MoPO5.
The XRD pattern shows main peaks at: 20.0°(0.35), 25.6°(1.0), 28.5°(0.88), 29.3°(0.4), 38.6°(0.17), 40.7°(0.17), 43.2°(0.09), 45.7°(0.27), 48.1°(0.17), 48.7°(0.26), 51.0°(0.11), 54.7°(0.12), 57.4°(0.15), 58.9°(0.12), 64.7°(0.24), 65.3°(0.09), 66.7°(0.14), 74.4°(0.08), 79.8°(0.09), 81.5°(... | JVASP-29296 | 4.19 6.27 6.27
90 90 90
Mo 0.805 0.750 0.750
Mo 0.195 0.250 0.250
P 0.500 0.750 0.250
P 0.500 0.250 0.750
O 0.713 0.800 0.444
O 0.713 0.056 0.800
O 0.713 0.444 0.700
O 0.713 0.700 0.056
O 0.790 0.250 0.250
O 0.210 0.750 0.750
O 0.287 0.300 0.944
O 0.287 0.200 0.556
O 0.287 0.944 0.200
O 0.287 0.556 0.300 |
Below is a description of a material. | The chemical formula is: NdSnIr.
The XRD pattern shows main peaks at: 23.7°(0.15), 25.4°(0.1), 32.1°(0.71), 35.0°(1.0), 36.5°(0.31), 41.6°(0.38), 42.7°(0.41), 43.4°(0.26), 48.5°(0.08), 55.5°(0.1), 58.0°(0.17), 61.7°(0.23), 65.8°(0.09), 66.5°(0.3), 74.3°(0.11), 76.7°(0.05), 82.1°(0.1).
Generate atomic structure descript... | JVASP-101423 | 7.51 7.51 4.17
90 90 120
Nd 0.589 -0.000 0.000
Nd -0.000 0.589 0.000
Nd 0.411 0.411 0.000
Sn 0.252 0.000 0.500
Sn 0.000 0.252 0.500
Sn 0.748 0.748 0.500
Ir 0.333 0.667 0.500
Ir 0.667 0.333 0.500
Ir 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: AgC2N3.
The XRD pattern shows main peaks at: 10.7°(1.0), 30.1°(0.53), 30.8°(0.72), 31.8°(0.08), 33.3°(0.41), 35.1°(0.18), 53.1°(0.08), 54.3°(0.12), 64.1°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-85471 | 3.45 3.45 24.78
90 90 120
Ag 0.000 0.278 0.667
Ag 0.278 0.000 0.333
Ag 0.722 0.722 0.000
C 0.463 0.384 0.454
C 0.616 0.080 0.787
C 0.537 0.920 0.879
C 0.920 0.537 0.121
C 0.080 0.616 0.213
C 0.384 0.463 0.546
N 0.599 0.842 0.924
N 0.243 0.401 0.590
N 0.421 1.000 0.833
N 0.401 0.243 0.410
N 1.000 0.421 0.167
N 0.579 0.5... |
Below is a description of a material. | The chemical formula is: LiTmIn2.
The XRD pattern shows main peaks at: 21.5°(0.36), 35.4°(1.0), 41.8°(0.2), 50.9°(0.16), 55.9°(0.09), 63.6°(0.34), 67.9°(0.06), 74.9°(0.11), 79.0°(0.06), 85.7°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-41714 | 5.07 5.07 5.07
60 60 60
Li 0.250 0.250 0.250
Tm 0.750 0.750 0.750
In 0.000 0.000 0.000
In 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: NaCaAs.
The XRD pattern shows main peaks at: 18.2°(1.0), 20.1°(0.25), 27.3°(0.22), 35.2°(0.57), 36.9°(0.15), 39.9°(0.78), 42.4°(0.07), 51.9°(0.32), 63.2°(0.09), 66.3°(0.15), 68.6°(0.14), 75.5°(0.11), 77.4°(0.1), 86.1°(0.08), 89.2°(0.07).
Generate atomic structure description with lattice length... | JVASP-118848 | 5.10 5.10 4.87
90 90 120
Na 0.667 0.333 0.000
Ca 0.333 0.667 0.000
As 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: KLi3PbO4.
The XRD pattern shows main peaks at: 14.0°(0.14), 15.5°(1.0), 17.5°(0.88), 21.3°(0.56), 24.2°(0.44), 25.4°(0.43), 25.9°(0.44), 28.0°(0.43), 31.3°(0.3), 31.7°(0.34), 33.2°(0.17), 34.5°(0.24), 35.4°(0.27), 36.1°(0.16), 36.5°(0.41), 38.8°(0.15), 41.3°(0.15), 44.1°(0.11), 48.8°(0.21), 52.... | JVASP-24241 | 5.95 5.98 6.96
106 108 88
K 0.511 0.991 0.250
K 0.489 0.009 0.750
Li 0.051 0.127 0.907
Li 0.949 0.873 0.093
Li 0.682 0.459 0.154
Li 0.064 0.165 0.447
Li 0.936 0.835 0.553
Li 0.318 0.541 0.846
Pb 0.241 0.495 0.295
Pb 0.759 0.505 0.705
O 0.360 0.362 0.567
O 0.880 0.168 0.633
O 0.120 0.832 0.367
O 0.656 0.674 0.973
O 0.34... |
Below is a description of a material. | The chemical formula is: AlGaO3.
The XRD pattern shows main peaks at: 23.6°(0.71), 33.6°(1.0), 48.3°(0.48), 54.4°(0.26), 60.1°(0.38), 70.6°(0.28), 75.6°(0.1), 80.5°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-115094 | 3.77 3.77 3.77
90 90 90
Al 0.000 0.000 0.000
Ga 0.500 0.500 0.500
O 0.000 0.500 0.500
O 0.500 0.000 0.500
O 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: SmZn2Au2.
The XRD pattern shows main peaks at: 13.9°(0.09), 23.4°(0.4), 30.8°(1.0), 31.8°(0.62), 34.8°(0.79), 42.1°(0.94), 42.9°(0.46), 45.5°(0.63), 51.8°(0.1), 56.0°(0.38), 58.0°(0.12), 63.8°(0.61), 66.4°(0.23), 67.7°(0.08), 75.0°(0.07), 75.5°(0.12), 76.7°(0.21), 77.2°(0.16), 81.8°(0.15), 82.3... | JVASP-162986 | 6.96 6.96 6.96
146 146 47
Au 0.390 0.390 -0.000
Au 0.610 0.610 0.000
Sm 0.000 0.000 -0.000
Zn 0.750 0.250 0.500
Zn 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: V3H4O8.
The XRD pattern shows main peaks at: 10.2°(0.31), 15.0°(0.81), 17.1°(0.15), 19.1°(0.2), 20.4°(0.19), 24.0°(0.73), 26.4°(1.0), 30.2°(0.08), 30.8°(0.41), 33.0°(0.21), 36.7°(0.26), 38.7°(0.19), 41.0°(0.11), 48.4°(0.19), 53.2°(0.23), 55.2°(0.2), 57.6°(0.21), 59.2°(0.09), 60.5°(0.08), 74.8°(... | JVASP-97505 | 8.91 8.91 5.96
83 96 157
V -0.000 0.000 0.500
V 0.807 0.193 0.658
V 0.193 0.807 0.342
H 0.918 0.082 0.098
H 0.082 0.918 0.902
H 0.791 0.209 0.084
H 0.209 0.791 0.916
O 0.964 0.036 0.213
O 0.036 0.964 0.787
O 0.895 0.105 0.576
O 0.105 0.895 0.424
O 0.827 0.173 0.969
O 0.173 0.827 0.031
O 0.740 0.260 0.356
O 0.260 0.740 ... |
Below is a description of a material. | The chemical formula is: He.
The XRD pattern shows main peaks at: 38.1°(0.29), 40.5°(0.3), 43.3°(1.0), 56.8°(0.13), 68.8°(0.1), 75.6°(0.11), 83.0°(0.1), 84.9°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-148641 | 2.73 2.73 4.46
90 90 120
He 0.333 0.667 0.250
He 0.667 0.333 0.750 |
Below is a description of a material. | The chemical formula is: AlSiTe3.
The XRD pattern shows main peaks at: 24.9°(0.31), 25.7°(0.1), 28.6°(1.0), 36.1°(0.21), 45.3°(0.23), 46.2°(0.26), 52.4°(0.21), 54.5°(0.15), 66.7°(0.07), 70.7°(0.09), 71.3°(0.07), 73.5°(0.11), 84.4°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates an... | JVASP-150695 | 6.93 6.93 7.15
90 90 120
Al 0.333 0.667 0.500
Al 0.667 0.333 0.500
Si 1.000 -0.000 0.339
Si 0.000 0.000 0.661
Te 0.000 0.645 0.249
Te 0.355 0.355 0.249
Te 0.645 -0.000 0.249
Te -0.000 0.355 0.751
Te 0.645 0.645 0.751
Te 0.355 0.000 0.751 |
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°(0.89), 51.2°(0.65), 62.9°(0.3), 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-61311 | 3.57 3.57 5.05
90 90 119
Co 0.500 -0.000 0.500
Co 0.500 -0.000 0.000
As 0.833 0.667 0.750
As 0.167 0.333 0.250 |
Below is a description of a material. | The chemical formula is: ScCd2Au.
The XRD pattern shows main peaks at: 22.6°(0.26), 37.3°(1.0), 44.1°(0.15), 53.8°(0.17), 59.1°(0.06), 67.4°(0.35), 79.6°(0.11), 84.1°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-183543 | 4.82 4.82 4.82
60 60 60
Sc 0.000 0.000 -0.000
Cd 0.250 0.250 0.250
Cd 0.750 0.750 0.750
Au 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: K3Dy.
The XRD pattern shows main peaks at: 14.9°(0.43), 21.1°(0.41), 25.9°(1.0), 30.0°(0.51), 33.6°(0.26), 36.9°(0.19), 42.9°(0.36), 45.7°(0.14), 48.3°(0.1), 50.8°(0.43), 53.2°(0.11), 55.6°(0.07), 57.9°(0.12), 64.5°(0.08), 68.6°(0.15), 70.7°(0.15), 72.7°(0.06), 78.6°(0.1), 82.5°(0.06), 84.5°(0.... | JVASP-125838 | 5.96 5.96 5.96
90 90 90
K 0.000 0.500 0.500
K 0.500 0.000 0.500
K 0.500 0.500 0.000
Dy 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: TbMg.
The XRD pattern shows main peaks at: 23.6°(0.69), 33.6°(1.0), 41.5°(0.21), 48.3°(0.2), 54.5°(0.28), 60.2°(0.39), 70.7°(0.12), 75.7°(0.13), 80.7°(0.16), 85.5°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-7832 | 3.77 3.77 3.77
90 90 90
Tb 0.500 0.500 0.500
Mg 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Li2MgZn.
The XRD pattern shows main peaks at: 23.9°(0.46), 27.7°(0.83), 39.5°(1.0), 46.7°(0.08), 48.9°(0.23), 57.1°(0.16), 64.6°(0.27), 71.7°(0.32).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-187759 | 4.56 4.56 4.56
60 60 59
Zn 0.250 0.250 0.250
Mg 0.750 0.750 0.750
Li -0.000 0.000 -0.000
Li 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Ni2PbO3.
The XRD pattern shows main peaks at: 15.1°(0.44), 25.0°(0.26), 28.4°(0.79), 33.2°(0.6), 34.8°(1.0), 39.1°(0.35), 41.3°(0.12), 45.7°(0.09), 46.6°(0.19), 48.8°(0.25), 52.2°(0.24), 57.3°(0.23), 60.3°(0.23), 64.1°(0.16), 66.1°(0.17), 69.0°(0.08), 69.7°(0.18), 71.4°(0.11), 82.1°(0.09), 89.7... | JVASP-184367 | 6.14 6.14 3.73
90 90 144
Ni 0.661 0.339 0.000
Ni 0.339 0.661 0.000
Pb 0.000 -0.000 0.500
O 0.179 0.821 0.000
O 0.821 0.179 0.000
O 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: TlCu3Se2.
The XRD pattern shows main peaks at: 22.2°(0.14), 25.4°(0.11), 27.2°(0.39), 29.3°(0.27), 29.6°(0.45), 30.8°(0.61), 31.2°(0.24), 34.1°(1.0), 39.3°(0.87), 40.1°(0.11), 46.0°(0.42), 49.0°(0.31), 50.6°(0.3), 51.2°(0.22), 54.0°(0.22), 56.1°(0.18), 58.6°(0.13), 60.1°(0.12), 69.5°(0.2), 73.6... | JVASP-152223 | 7.77 7.77 8.57
69 69 29
Tl 0.140 0.140 0.955
Tl 0.860 0.860 0.045
Cu 0.582 0.582 0.372
Cu 0.418 0.418 0.628
Cu 0.688 0.688 0.550
Cu 0.312 0.312 0.450
Cu 0.058 0.058 0.589
Cu 0.942 0.942 0.411
Se 0.195 0.195 0.316
Se 0.805 0.805 0.684
Se 0.526 0.526 0.779
Se 0.474 0.474 0.221 |
Below is a description of a material. | The chemical formula is: PaInAu2.
The XRD pattern shows main peaks at: 36.1°(1.0), 52.0°(0.18), 64.9°(0.35), 76.6°(0.11), 87.7°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-172883 | 4.98 4.97 4.97
59 59 59
Pa 0.750 0.750 0.750
In 0.250 0.250 0.250
Au -0.000 -0.000 0.000
Au 0.500 0.500 0.500 |
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