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: AlBi3O9.
The XRD pattern shows main peaks at: 7.1°(0.19), 14.3°(0.1), 21.6°(0.3), 24.7°(1.0), 25.8°(0.13), 28.8°(0.31), 33.0°(0.6), 35.2°(0.48), 38.4°(0.48), 41.7°(0.58), 46.2°(0.35), 50.7°(0.31), 55.7°(0.12), 57.2°(0.22), 59.4°(0.19), 61.8°(0.21), 65.3°(0.21), 74.5°(0.1), 85.2°(0.1), 89.2°(0.1... | JVASP-10907 | 3.60 3.60 12.37
90 90 90
Al 0.500 0.500 0.833
Bi 0.000 0.000 0.050
Bi 0.000 0.000 0.617
Bi 0.000 0.000 0.333
O 0.000 0.500 0.833
O 0.000 0.500 0.492
O 0.000 0.500 0.175
O 0.500 0.500 0.990
O 0.500 0.500 0.677
O 0.500 0.500 0.333
O 0.500 0.000 0.833
O 0.500 0.000 0.492
O 0.500 0.000 0.175 |
Below is a description of a material. | The chemical formula is: FeAsO2.
The XRD pattern shows main peaks at: 29.9°(0.43), 36.0°(1.0), 44.9°(0.07), 46.8°(0.44), 56.6°(0.26), 57.2°(0.31), 62.2°(0.05), 68.3°(0.11), 76.4°(0.11), 79.8°(0.17), 81.3°(0.09), 89.5°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-183504 | 2.75 2.75 5.97
90 90 90
Fe 0.500 0.500 0.442
As 0.000 -0.000 0.910
O 0.000 -0.000 0.509
O 0.500 0.500 0.149 |
Below is a description of a material. | The chemical formula is: KRb2MoO3F3.
The XRD pattern shows main peaks at: 17.2°(0.25), 28.0°(1.0), 28.6°(0.35), 34.9°(0.08), 39.9°(0.24), 40.5°(0.5), 49.9°(0.21), 50.4°(0.12), 58.5°(0.11), 59.2°(0.07), 66.0°(0.07), 66.5°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom typ... | JVASP-165676 | 6.36 12.74 11.12
29 54 59
K 0.496 0.498 0.507
K 0.492 0.003 0.503
Rb 0.244 0.496 0.264
Rb 0.744 -0.009 0.769
Rb 0.240 0.007 0.255
Rb 0.744 0.511 0.748
Mo 0.985 0.002 0.018
Mo 0.984 0.498 0.022
O 0.248 0.312 0.149
O 0.830 -0.008 0.221
O 0.243 0.192 0.772
O 0.832 0.507 0.205
O 0.811 0.796 0.199
O 0.794 0.692 0.807
F 0.15... |
Below is a description of a material. | The chemical formula is: LuNbO4.
The XRD pattern shows main peaks at: 17.5°(0.13), 23.7°(0.11), 28.7°(1.0), 30.6°(0.9), 33.5°(0.23), 34.2°(0.23), 35.5°(0.18), 47.7°(0.19), 48.6°(0.31), 49.6°(0.31), 52.4°(0.14), 56.9°(0.21), 58.1°(0.12), 58.6°(0.15), 59.5°(0.1), 60.0°(0.13), 61.7°(0.13), 63.6°(0.08), 77.1°(0.06), 81.8°(... | JVASP-49864 | 5.08 5.35 5.27
90 95 90
Lu 0.500 0.242 0.250
Lu 0.500 0.758 0.750
Nb 0.000 0.713 0.250
Nb 0.000 0.287 0.750
O 0.757 0.444 0.978
O 0.748 0.933 0.084
O 0.252 0.933 0.416
O 0.243 0.444 0.522
O 0.757 0.556 0.478
O 0.748 0.067 0.584
O 0.252 0.067 0.916
O 0.243 0.556 0.022 |
Below is a description of a material. | The chemical formula is: LiZr2TlO.
The XRD pattern shows main peaks at: 19.9°(0.49), 29.1°(0.53), 35.5°(1.0), 40.4°(0.44), 42.7°(0.19), 45.4°(0.12), 47.5°(0.11), 50.5°(0.23), 58.5°(0.14), 60.2°(0.26), 64.1°(0.09), 66.6°(0.05), 70.3°(0.29), 73.5°(0.12), 75.1°(0.12), 80.9°(0.06), 83.9°(0.06).
Generate atomic structure de... | JVASP-187564 | 4.46 4.46 4.24
90 90 90
Tl 0.500 0.500 0.500
O 0.000 0.000 -0.000
Zr -0.000 0.500 0.000
Zr 0.500 0.000 -0.000
Li 0.000 0.000 0.500 |
Below is a description of a material. | The chemical formula is: Ti3CoCu2S8.
The XRD pattern shows main peaks at: 25.6°(0.37), 30.0°(1.0), 36.3°(0.62), 47.8°(0.4), 52.0°(0.63), 52.6°(0.59), 77.0°(0.19).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-142354 | 7.04 7.04 7.04
59 59 59
Ti 0.000 0.500 0.500
Ti 0.500 0.500 -0.000
Ti 0.500 0.000 0.500
Co 0.500 0.500 0.500
Cu 0.125 0.125 0.125
Cu 0.875 0.875 0.875
S 0.263 0.729 0.263
S 0.263 0.263 0.729
S 0.729 0.263 0.263
S 0.254 0.254 0.254
S 0.737 0.271 0.737
S 0.737 0.737 0.271
S 0.271 0.737 0.737
S 0.746 0.746 0.746 |
Below is a description of a material. | The chemical formula is: MoSI.
The XRD pattern shows main peaks at: 14.7°(0.65), 17.0°(0.14), 28.4°(0.52), 29.6°(0.24), 34.4°(1.0), 37.6°(0.47), 45.1°(0.2), 49.4°(0.61), 61.5°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-142305 | 7.38 7.38 7.38
60 60 60
Mo 0.345 0.345 0.345
Mo 0.345 0.345 0.966
Mo 0.345 0.966 0.345
Mo 0.966 0.345 0.345
S 0.122 0.122 0.122
S 0.122 0.122 0.634
S 0.122 0.634 0.122
S 0.634 0.122 0.122
I 0.624 0.624 0.624
I 0.624 0.624 0.127
I 0.624 0.127 0.624
I 0.127 0.624 0.624 |
Below is a description of a material. | The chemical formula is: HRh3Pt.
The XRD pattern shows main peaks at: 22.6°(0.08), 32.2°(0.07), 39.8°(1.0), 46.2°(0.46), 67.5°(0.32), 81.3°(0.38), 85.7°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-191070 | 3.93 3.93 3.93
90 90 90
H 0.000 0.000 0.000
Rh 0.000 0.500 0.000
Rh 0.000 0.000 0.500
Rh 0.500 0.000 0.000
Pt 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: TaN2.
The XRD pattern shows main peaks at: 30.3°(1.0), 35.1°(0.56), 50.5°(0.4), 60.0°(0.54), 62.9°(0.14), 74.1°(0.05), 82.1°(0.19), 84.7°(0.19).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-152533 | 5.12 5.12 5.12
90 90 90
Ta 0.000 0.000 0.000
Ta 0.500 0.000 0.500
Ta 0.000 0.500 0.500
Ta 0.500 0.500 0.000
N 0.361 0.361 0.361
N 0.139 0.639 0.861
N 0.639 0.861 0.139
N 0.861 0.139 0.639
N 0.639 0.639 0.639
N 0.861 0.361 0.139
N 0.361 0.139 0.861
N 0.139 0.861 0.361 |
Below is a description of a material. | The chemical formula is: SrNiSn2.
The XRD pattern shows main peaks at: 11.4°(0.14), 26.0°(0.08), 28.4°(0.2), 34.9°(1.0), 37.1°(0.63), 43.7°(0.2), 51.6°(0.19), 53.4°(0.22), 54.2°(0.05), 61.6°(0.05), 65.4°(0.36), 65.9°(0.1), 71.4°(0.09), 72.1°(0.05), 78.9°(0.07), 89.3°(0.09), 89.7°(0.1).
Generate atomic structure descrip... | JVASP-184471 | 3.43 3.43 7.79
90 90 90
Sr 0.500 0.500 0.500
Ni 0.500 0.500 -0.000
Sn 0.000 -0.000 0.810
Sn 0.000 0.000 0.190 |
Below is a description of a material. | The chemical formula is: BaAgSeF.
The XRD pattern shows main peaks at: 9.4°(0.27), 22.4°(0.08), 27.8°(1.0), 28.4°(0.16), 28.8°(0.09), 30.4°(0.4), 34.6°(0.97), 41.2°(0.64), 43.6°(0.31), 48.5°(0.31), 50.4°(0.36), 59.7°(0.2), 61.5°(0.21), 67.1°(0.08), 68.4°(0.08), 70.9°(0.24), 76.8°(0.05), 80.4°(0.14), 81.8°(0.08), 89.4°(... | JVASP-91553 | 4.38 4.38 9.43
90 90 90
Ba 0.750 0.750 0.839
Ba 0.250 0.250 0.161
Ag 0.250 0.750 0.500
Ag 0.750 0.250 0.500
Se 0.750 0.750 0.317
Se 0.250 0.250 0.683
F 0.250 0.750 0.000
F 0.750 0.250 0.000 |
Below is a description of a material. | The chemical formula is: Er3ScS6.
The XRD pattern shows main peaks at: 8.6°(0.14), 16.7°(0.5), 24.0°(0.47), 24.7°(0.61), 25.4°(0.24), 27.1°(1.0), 28.0°(0.25), 28.4°(0.24), 30.7°(0.43), 31.8°(0.33), 34.6°(0.16), 35.2°(0.3), 35.8°(0.18), 41.6°(0.18), 42.4°(0.28), 43.4°(0.43), 44.9°(0.24), 47.3°(0.41), 47.9°(0.18), 54.0°(... | JVASP-144151 | 3.85 10.81 11.11
71 90 90
Er 0.250 0.576 0.831
Er 0.750 0.424 0.169
Er 0.250 0.317 0.504
Er 0.750 0.683 0.496
Er 0.250 0.840 0.081
Er 0.750 0.160 0.919
Sc 0.250 0.961 0.685
Sc 0.750 0.039 0.315
S 0.750 0.104 0.538
S 0.250 0.896 0.462
S 0.750 0.755 0.718
S 0.250 0.245 0.282
S 0.750 0.401 0.932
S 0.750 0.480 0.383
S 0.75... |
Below is a description of a material. | The chemical formula is: RbF2.
The XRD pattern shows main peaks at: 24.3°(0.67), 25.1°(1.0), 30.3°(0.06), 33.5°(0.33), 35.8°(0.22), 42.4°(0.46), 43.8°(0.7), 49.9°(0.18), 51.6°(0.1), 54.7°(0.09), 57.8°(0.24), 62.9°(0.1), 67.1°(0.18), 68.9°(0.1), 69.9°(0.13), 76.2°(0.07), 78.5°(0.1), 81.1°(0.14), 89.4°(0.08).
Generate at... | JVASP-22733 | 5.01 5.01 5.34
90 90 90
Rb 0.000 0.000 0.000
Rb 0.500 0.500 0.500
F 0.360 0.360 0.000
F 0.640 0.640 0.000
F 0.860 0.140 0.500
F 0.140 0.860 0.500 |
Below is a description of a material. | The chemical formula is: ErMnNi4.
The XRD pattern shows main peaks at: 22.4°(0.12), 25.9°(0.14), 36.9°(0.43), 43.6°(1.0), 45.6°(0.24), 60.1°(0.05), 66.5°(0.15), 71.1°(0.26), 78.6°(0.21).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-93861 | 4.87 4.87 4.87
60 60 60
Er 0.000 0.000 0.000
Mn 0.750 0.750 0.750
Ni 0.873 0.376 0.376
Ni 0.376 0.873 0.376
Ni 0.376 0.376 0.873
Ni 0.376 0.376 0.376 |
Below is a description of a material. | The chemical formula is: Mn3O2F4.
The XRD pattern shows main peaks at: 27.0°(1.0), 34.2°(0.41), 39.2°(0.13), 52.1°(0.16), 52.5°(0.31), 55.7°(0.17), 66.3°(0.05), 67.4°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-120582 | 4.69 4.64 9.55
89 89 90
Mn 0.963 0.972 0.008
Mn -0.000 -0.000 0.333
Mn 0.037 0.028 0.658
Mn 0.500 0.500 0.833
Mn 0.537 0.472 0.158
Mn 0.463 0.528 0.508
O 0.811 0.168 0.169
O 0.689 0.668 0.998
O 0.189 0.832 0.498
O 0.311 0.332 0.669
F 0.783 0.237 0.495
F 0.217 0.763 0.171
F 0.186 0.798 0.846
F 0.283 0.263 0.995
F 0.314 ... |
Below is a description of a material. | The chemical formula is: LiFeF3.
The XRD pattern shows main peaks at: 18.5°(0.93), 24.5°(0.4), 30.9°(0.5), 35.5°(0.29), 39.7°(0.07), 41.8°(0.3), 44.8°(1.0), 45.4°(0.24), 50.3°(0.13), 50.7°(0.5), 54.1°(0.08), 58.1°(0.2), 59.9°(0.25), 63.8°(0.16), 64.5°(0.07), 66.6°(0.12), 75.3°(0.07), 80.3°(0.19).
Generate atomic struct... | JVASP-43739 | 2.81 4.99 7.25
90 90 106
Li 0.000 0.000 0.000
Li 0.000 0.000 0.500
Fe 0.245 0.489 0.250
Fe 0.755 0.511 0.750
F 0.095 0.189 0.750
F 0.361 0.721 0.573
F 0.361 0.721 0.927
F 0.639 0.279 0.427
F 0.905 0.811 0.250
F 0.639 0.279 0.073 |
Below is a description of a material. | The chemical formula is: ErCdPt2.
The XRD pattern shows main peaks at: 37.7°(1.0), 54.4°(0.18), 68.1°(0.37), 80.6°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-106519 | 4.77 4.77 4.77
60 60 59
Er 0.000 0.000 0.000
Cd 0.500 0.500 0.500
Pt 0.250 0.250 0.250
Pt 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: Br2Cl.
The XRD pattern shows main peaks at: 11.6°(0.16), 25.5°(1.0), 28.1°(0.08), 35.4°(0.23), 36.4°(0.4), 44.2°(0.42), 51.7°(0.29), 52.5°(0.12), 59.2°(0.17), 64.9°(0.13), 70.9°(0.2), 88.1°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-138286 | 3.49 3.48 7.61
90 90 90
Br 0.133 0.000 0.664
Br 0.133 0.000 0.336
Cl 0.134 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Li2HgBi.
The XRD pattern shows main peaks at: 23.8°(1.0), 25.9°(0.76), 27.4°(0.69), 35.4°(0.69), 36.6°(0.71), 38.0°(0.66), 45.3°(0.55), 48.7°(0.17), 53.2°(0.13), 55.9°(0.1), 56.5°(0.12), 59.0°(0.08), 60.8°(0.08), 62.1°(0.08), 63.3°(0.21), 66.2°(0.18), 68.4°(0.18).
Generate atomic structure desc... | JVASP-82040 | 12.06 8.48 8.84
34 19 19
Li 0.750 -0.000 0.000
Li 0.250 0.000 -0.000
Hg 0.000 0.000 0.000
Bi 0.500 -0.000 -0.000 |
Below is a description of a material. | The chemical formula is: HfSc2Ir.
The XRD pattern shows main peaks at: 26.5°(0.41), 37.9°(1.0), 46.9°(0.13), 54.7°(0.16), 61.8°(0.18), 68.4°(0.32), 81.0°(0.11), 87.1°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-180063 | 4.75 4.75 4.75
60 60 60
Hf -0.000 0.000 0.000
Sc 0.250 0.250 0.250
Sc 0.750 0.750 0.750
Ir 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: SbClF8.
The XRD pattern shows main peaks at: 15.9°(0.58), 17.3°(0.7), 23.0°(1.0), 23.6°(0.77), 23.8°(0.66), 24.4°(0.59), 25.7°(0.53), 28.2°(0.1), 28.8°(0.13), 31.2°(0.09), 32.0°(0.24), 35.4°(0.09), 36.7°(0.13), 38.2°(0.14), 39.7°(0.22), 41.0°(0.21), 42.7°(0.13), 43.2°(0.28), 50.5°(0.18), 52.9°(... | JVASP-32241 | 5.10 5.60 10.30
88 94 86
Sb 0.000 -0.000 0.500
Sb 0.000 0.000 0.000
Cl 0.575 0.394 0.749
Cl 0.425 0.606 0.251
F 0.885 0.728 0.589
F 0.115 0.272 0.411
F 0.821 0.836 0.862
F 0.179 0.164 0.138
F 0.879 0.212 0.636
F 0.121 0.788 0.364
F 0.281 0.045 0.893
F 0.398 0.455 0.614
F 0.602 0.545 0.386
F 0.374 0.527 0.840
F 0.626 0.... |
Below is a description of a material. | The chemical formula is: SmI.
The XRD pattern shows main peaks at: 26.6°(0.29), 32.8°(1.0), 38.2°(0.15), 46.9°(0.25), 58.4°(0.19), 62.0°(0.2), 65.7°(0.12), 78.1°(0.15), 84.5°(0.07), 87.3°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-37277 | 3.87 3.87 4.71
90 90 120
Sm 0.333 0.667 0.000
I 0.667 0.333 0.500 |
Below is a description of a material. | The chemical formula is: Sr2Mn3As2O2.
The XRD pattern shows main peaks at: 9.5°(0.06), 31.9°(0.28), 32.9°(1.0), 33.4°(0.12), 37.4°(0.42), 40.7°(0.18), 45.8°(0.52), 50.9°(0.14), 57.6°(0.38), 59.4°(0.1), 66.8°(0.15), 76.5°(0.09), 78.0°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates... | JVASP-17462 | 3.96 3.96 9.76
101 101 90
Sr 0.591 0.591 0.183
Sr 0.409 0.409 0.817
Mn 0.000 0.000 0.000
Mn 0.750 0.250 0.500
Mn 0.250 0.750 0.500
As 0.175 0.175 0.350
As 0.825 0.825 0.650
O 0.000 0.500 0.000
O 0.500 0.000 0.000 |
Below is a description of a material. | The chemical formula is: BeTl2Rh.
The XRD pattern shows main peaks at: 10.6°(0.07), 21.3°(0.18), 28.7°(0.05), 30.7°(1.0), 32.2°(0.4), 36.0°(0.74), 41.0°(0.52), 43.6°(0.16), 46.7°(0.09), 53.1°(0.38), 59.4°(0.18), 63.2°(0.09), 68.3°(0.21), 69.2°(0.18), 70.9°(0.09), 71.5°(0.19), 76.5°(0.06), 83.5°(0.1), 85.3°(0.06), 89.0°... | JVASP-71238 | 3.11 3.11 8.35
90 90 90
Be 0.000 0.000 0.590
Tl 0.000 0.000 0.937
Tl 0.500 0.500 0.307
Rh 0.500 0.500 0.666 |
Below is a description of a material. | The chemical formula is: LaMg6W.
The XRD pattern shows main peaks at: 15.5°(0.37), 15.9°(1.0), 23.6°(0.21), 27.3°(0.11), 28.0°(0.14), 32.2°(0.34), 32.7°(0.32), 35.8°(0.25), 36.2°(0.45), 37.0°(0.45), 39.4°(0.24), 43.4°(0.09), 45.9°(0.21), 46.4°(0.15), 48.9°(0.21), 52.6°(0.08), 59.5°(0.1), 64.5°(0.09), 65.1°(0.09), 70.3°... | JVASP-93118 | 6.54 6.54 5.02
90 90 121
La 0.200 0.300 0.250
Mg 0.185 0.828 0.250
Mg 0.672 0.315 0.250
Mg 0.663 0.837 0.250
Mg 0.327 0.686 0.750
Mg 0.814 0.173 0.750
Mg 0.824 0.676 0.750
W 0.315 0.185 0.750 |
Below is a description of a material. | The chemical formula is: KPaO3.
The XRD pattern shows main peaks at: 20.3°(0.81), 28.9°(1.0), 35.5°(0.11), 41.3°(0.32), 46.4°(0.39), 51.1°(0.4), 59.8°(0.21), 63.8°(0.18), 67.7°(0.18), 71.5°(0.06), 75.2°(0.06), 78.9°(0.09), 82.5°(0.23).
Generate atomic structure description with lattice lengths, angles, coordinates and ... | JVASP-111322 | 4.37 4.37 4.37
90 90 90
K 0.500 0.500 0.500
Pa 0.000 0.000 0.000
O 0.500 0.000 0.000
O 0.000 0.500 0.000
O 0.000 0.000 0.500 |
Below is a description of a material. | The chemical formula is: TbGa.
The XRD pattern shows main peaks at: 27.4°(0.24), 31.3°(1.0), 32.2°(0.41), 33.0°(0.27), 39.3°(0.51), 40.0°(0.15), 41.6°(0.25), 44.7°(0.21), 50.6°(0.1), 52.2°(0.1), 54.1°(0.13), 55.6°(0.09), 56.1°(0.16), 56.6°(0.11), 59.1°(0.1), 62.7°(0.15), 63.7°(0.14), 69.5°(0.1), 72.7°(0.11), 81.1°(0.14... | JVASP-16530 | 4.06 4.34 5.85
111 90 90
Tb 0.750 0.139 0.279
Tb 0.250 0.861 0.721
Ga 0.750 0.423 0.846
Ga 0.250 0.577 0.154 |
Below is a description of a material. | The chemical formula is: NpCdPO.
The XRD pattern shows main peaks at: 10.0°(0.11), 20.1°(0.08), 24.3°(0.52), 30.0°(1.0), 31.4°(0.12), 33.0°(0.76), 37.6°(0.29), 45.0°(0.42), 51.7°(0.18), 52.4°(0.41), 55.0°(0.39), 56.9°(0.11), 60.2°(0.12), 65.5°(0.14), 70.9°(0.09), 73.8°(0.12), 75.3°(0.24), 78.0°(0.06), 88.1°(0.08), 88.6... | JVASP-159701 | 4.03 4.03 8.84
90 90 90
Np 0.250 0.250 0.133
Np 0.750 0.750 0.867
Cd 0.750 0.250 0.500
Cd 0.250 0.750 0.500
P 0.750 0.750 0.289
P 0.250 0.250 0.711
O 0.750 0.250 0.000
O 0.250 0.750 0.000 |
Below is a description of a material. | The chemical formula is: TaB2Mo.
The XRD pattern shows main peaks at: 20.6°(0.24), 28.6°(0.08), 29.4°(0.69), 35.5°(1.0), 41.5°(0.97), 42.0°(0.92), 51.6°(0.36), 56.7°(0.16), 59.2°(0.13), 67.4°(0.13), 68.7°(0.58), 72.5°(0.08), 73.0°(0.11), 75.2°(0.34), 80.2°(0.08), 84.2°(0.1), 86.4°(0.09).
Generate atomic structure descr... | JVASP-110162 | 4.60 4.60 3.12
90 90 138
Ta 0.853 0.147 0.000
B 0.442 0.558 0.500
B 0.560 0.440 0.000
Mo 0.145 0.855 0.500 |
Below is a description of a material. | The chemical formula is: V2CoNi.
The XRD pattern shows main peaks at: 43.5°(1.0), 50.8°(0.28), 74.4°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-192122 | 2.54 2.54 7.23
90 90 90
Ni 0.500 0.500 0.500
Co 0.500 0.500 0.000
V 0.000 0.000 0.757
V -0.000 -0.000 0.243 |
Below is a description of a material. | The chemical formula is: LaTiO3.
The XRD pattern shows main peaks at: 22.5°(0.23), 32.1°(1.0), 39.5°(0.28), 46.0°(0.36), 51.8°(0.12), 57.1°(0.4), 67.0°(0.21), 71.7°(0.06), 76.2°(0.16), 80.7°(0.09), 85.1°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-16002 | 3.95 3.95 3.95
90 90 90
La 0.000 0.000 0.000
Ti 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: Mg3Zn.
The XRD pattern shows main peaks at: 9.3°(0.62), 18.7°(0.11), 32.6°(0.27), 34.0°(0.13), 37.9°(1.0), 43.7°(0.11), 50.9°(0.15), 58.2°(0.15), 71.6°(0.26).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-76677 | 3.17 3.17 9.49
90 90 119
Mg 0.000 0.000 0.000
Mg 0.667 0.333 0.728
Mg 0.667 0.333 0.272
Zn 0.000 0.000 0.500 |
Below is a description of a material. | The chemical formula is: LiBeOs.
The XRD pattern shows main peaks at: 24.3°(1.0), 36.9°(0.14), 42.7°(0.3), 44.7°(0.45), 49.7°(0.17), 57.7°(0.25), 63.5°(0.16), 67.5°(0.13), 78.1°(0.05), 79.5°(0.15), 83.8°(0.07), 89.7°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-134088 | 4.24 4.24 2.43
90 90 119
Li 0.423 0.080 0.000
Be -0.244 -0.253 0.000
Os 0.090 0.414 0.000 |
Below is a description of a material. | The chemical formula is: CdH.
The XRD pattern shows main peaks at: 23.5°(0.92), 30.4°(1.0), 38.8°(0.93), 43.5°(0.37), 48.1°(0.13), 50.0°(0.45), 57.9°(0.29), 63.2°(0.11), 66.8°(0.19), 68.4°(0.17), 71.7°(0.15), 76.7°(0.24), 83.2°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and a... | JVASP-138530 | 4.16 4.16 3.79
90 90 90
Cd 0.000 0.000 0.000
Cd 0.500 0.500 1.000
H 0.000 0.000 0.500
H 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Yb3Rb.
The XRD pattern shows main peaks at: 15.5°(0.05), 27.0°(1.0), 31.3°(0.53), 44.9°(0.36), 53.2°(0.43), 55.7°(0.14), 65.3°(0.06), 72.0°(0.19), 74.2°(0.18), 82.7°(0.13), 89.0°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-37468 | 5.72 5.72 5.72
90 90 90
Yb 0.500 0.000 0.500
Yb 0.000 0.500 0.500
Yb 0.500 0.500 0.000
Rb 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: TcNiMo2H.
The XRD pattern shows main peaks at: 40.3°(1.0), 45.8°(0.37), 48.9°(0.15), 66.7°(0.1), 69.2°(0.21), 80.9°(0.27), 85.5°(0.12), 87.0°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-187559 | 3.96 3.96 3.73
90 90 90
Ni 0.000 0.000 0.500
Mo 0.000 0.500 -0.000
Mo 0.500 0.000 0.000
Tc 0.500 0.500 0.500
H 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Nb6GaMo.
The XRD pattern shows main peaks at: 34.4°(0.33), 38.7°(1.0), 42.5°(0.76), 61.7°(0.1), 64.5°(0.24), 67.3°(0.19), 72.6°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-188809 | 7.37 7.37 5.21
45 45 60
Nb 0.000 0.500 0.746
Nb 0.754 0.000 0.746
Nb 0.500 0.246 0.254
Nb 0.246 -0.000 0.254
Nb -0.000 0.500 0.254
Nb 0.500 0.754 0.746
Ga 0.500 0.500 0.500
Mo -0.000 -0.000 0.000 |
Below is a description of a material. | The chemical formula is: ZnMoO4.
The XRD pattern shows main peaks at: 24.4°(0.21), 30.5°(1.0), 36.1°(0.11), 36.6°(0.12), 38.3°(0.07), 48.6°(0.09), 50.0°(0.09), 51.2°(0.12), 53.6°(0.17), 62.1°(0.11), 64.5°(0.17), 65.5°(0.07), 67.6°(0.07), 80.4°(0.07).
Generate atomic structure description with lattice lengths, angles, c... | JVASP-151875 | 5.78 4.70 4.91
89 90 90
Zn 0.688 0.500 0.250
Zn 0.312 0.500 0.750
Mo 0.188 -0.000 0.250
Mo 0.812 0.000 0.750
O 0.376 0.745 0.404
O 0.376 0.255 0.096
O 0.624 0.255 0.596
O 0.624 0.745 0.904
O 0.895 0.783 0.439
O 0.895 0.217 0.061
O 0.105 0.217 0.561
O 0.105 0.783 0.939 |
Below is a description of a material. | The chemical formula is: CoCu2GeSe4.
The XRD pattern shows main peaks at: 27.7°(1.0), 46.0°(0.68), 54.6°(0.41), 67.1°(0.1), 74.1°(0.16), 85.2°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-170680 | 5.58 6.83 5.58
65 89 65
Co 0.500 1.000 0.500
Cu 1.000 0.000 1.000
Cu 0.250 0.500 0.750
Ge 0.750 0.500 0.250
Se 0.621 0.240 0.630
Se 0.870 0.760 0.379
Se 0.139 0.240 0.130
Se 0.370 0.760 0.861 |
Below is a description of a material. | The chemical formula is: Ba2ZrO3.
The XRD pattern shows main peaks at: 25.8°(0.09), 28.5°(0.72), 29.8°(0.86), 30.9°(1.0), 39.1°(0.22), 40.7°(0.18), 42.5°(0.25), 46.1°(0.19), 50.6°(0.34), 52.8°(0.35), 55.1°(0.26), 59.1°(0.13), 61.9°(0.1), 64.5°(0.16), 70.6°(0.09), 75.8°(0.08), 78.0°(0.11), 83.7°(0.08), 87.3°(0.08), 88.7... | JVASP-115585 | 7.50 7.50 7.50
149 147 45
Ba 0.649 0.649 -0.000
Ba 0.351 0.351 -0.000
Zr 0.000 0.000 0.000
O 0.848 0.848 -0.000
O 0.152 0.152 -0.000
O 0.500 -0.000 0.500 |
Below is a description of a material. | The chemical formula is: RbHgSbTe3.
The XRD pattern shows main peaks at: 11.3°(0.57), 13.6°(0.09), 25.2°(0.05), 25.9°(0.18), 27.0°(0.9), 30.0°(1.0), 32.2°(0.11), 34.5°(0.21), 35.6°(0.08), 37.7°(0.25), 39.5°(0.32), 41.8°(0.21), 45.9°(0.07), 46.4°(0.3), 49.1°(0.13), 50.4°(0.22), 51.0°(0.09), 55.7°(0.16), 64.2°(0.08), 64.... | JVASP-146436 | 8.15 8.15 11.90
90 90 147
Rb 0.248 0.752 0.248
Rb 0.752 0.248 0.748
Hg 0.553 0.447 0.254
Hg 0.447 0.553 0.754
Sb 0.993 0.007 0.007
Sb 0.007 0.993 0.507
Te 0.640 0.360 0.463
Te 0.369 0.631 0.537
Te 0.631 0.369 0.037
Te 0.360 0.640 0.963
Te 0.933 0.067 0.245
Te 0.067 0.933 0.745 |
Below is a description of a material. | The chemical formula is: LiZn3.
The XRD pattern shows main peaks at: 25.1°(0.23), 29.1°(0.13), 41.6°(1.0), 49.3°(0.11), 60.4°(0.16), 76.0°(0.34).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-39831 | 4.34 4.34 4.34
60 60 60
Li 0.750 0.750 0.750
Zn 0.000 0.000 0.000
Zn 0.500 0.500 0.500
Zn 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: LaP2Pd2.
The XRD pattern shows main peaks at: 17.7°(0.05), 22.8°(0.17), 34.2°(0.22), 34.9°(1.0), 35.9°(0.15), 42.7°(0.35), 50.5°(0.09), 57.0°(0.16), 61.9°(0.12), 63.9°(0.13), 73.1°(0.23), 73.7°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types... | JVASP-108709 | 5.83 5.83 5.83
137 137 61
La 0.000 0.000 0.000
P 0.386 0.386 -0.000
P 0.614 0.614 0.000
Pd 0.750 0.250 0.500
Pd 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: Yb3Ga9Pd2.
The XRD pattern shows main peaks at: 22.8°(0.12), 30.0°(0.09), 34.3°(0.14), 35.1°(0.22), 35.5°(1.0), 36.9°(0.21), 38.0°(0.23), 42.4°(0.32), 43.6°(0.15), 43.9°(0.14), 52.5°(0.06), 56.4°(0.13), 62.4°(0.09), 69.3°(0.08), 73.1°(0.1).
Generate atomic structure description with lattice len... | JVASP-171094 | 4.26 8.15 8.15
72 74 74
Yb 0.500 0.500 0.500
Yb 0.200 0.800 0.800
Yb 0.800 0.200 0.200
Ga 0.361 0.358 0.919
Ga 0.639 0.642 0.081
Ga 0.361 0.919 0.358
Ga 0.639 0.081 0.642
Ga 0.156 0.477 0.211
Ga 0.844 0.523 0.789
Ga 0.156 0.211 0.477
Ga 0.844 0.789 0.523
Ga 0.500 0.000 0.000
Pd 0.000 0.821 0.179
Pd -0.000 0.179 0.821 |
Below is a description of a material. | The chemical formula is: Tm2CuRh.
The XRD pattern shows main peaks at: 26.3°(0.11), 37.6°(1.0), 54.2°(0.16), 67.9°(0.34), 80.3°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-106615 | 4.78 4.78 4.78
60 60 60
Tm 0.250 0.250 0.250
Tm 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: AgPd2Au.
The XRD pattern shows main peaks at: 9.5°(0.13), 38.6°(1.0), 44.9°(0.5), 65.4°(0.16), 78.6°(0.28), 82.8°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-101750 | 9.47 9.47 9.47
17 17 17
Ag 0.998 0.998 0.998
Pd 0.502 0.502 0.502
Pd 0.249 0.249 0.249
Au 0.752 0.752 0.752 |
Below is a description of a material. | The chemical formula is: NdCd2.
The XRD pattern shows main peaks at: 33.0°(1.0), 35.5°(0.8), 49.3°(0.31), 52.9°(0.09), 62.2°(0.31), 63.8°(0.15), 65.4°(0.26), 75.2°(0.09), 87.5°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-78582 | 5.05 5.05 3.46
90 90 120
Nd 0.000 0.000 0.000
Cd 0.667 0.333 0.500
Cd 0.333 0.667 0.500 |
Below is a description of a material. | The chemical formula is: LiCu2Pd.
The XRD pattern shows main peaks at: 24.6°(0.36), 33.9°(0.32), 42.3°(1.0), 47.0°(0.18), 50.4°(0.29), 53.8°(0.08), 56.8°(0.07), 62.1°(0.11), 71.4°(0.2), 74.0°(0.09), 76.8°(0.06), 84.1°(0.13), 89.1°(0.21).
Generate atomic structure description with lattice lengths, angles, coordinates an... | JVASP-189070 | 3.86 3.62 3.62
90 90 90
Cu -0.000 0.000 0.500
Cu 0.000 0.500 -0.000
Pd 0.500 0.500 0.500
Li 0.500 0.000 -0.000 |
Below is a description of a material. | The chemical formula is: CaIn4Pd.
The XRD pattern shows main peaks at: 10.5°(0.11), 15.7°(0.36), 21.1°(0.1), 31.2°(1.0), 33.1°(0.36), 34.0°(0.21), 34.7°(0.08), 35.2°(0.41), 39.8°(0.67), 41.0°(0.42), 41.6°(0.11), 42.5°(0.12), 47.8°(0.14), 53.3°(0.11), 57.6°(0.27), 58.9°(0.08), 63.9°(0.12), 65.9°(0.08), 66.9°(0.11), 71.1... | JVASP-23372 | 4.53 7.61 8.73
90 105 90
Ca 0.871 0.250 0.741
Ca 0.129 0.750 0.259
In 0.682 0.047 0.364
In 0.318 0.953 0.636
In 0.318 0.547 0.636
In 0.682 0.453 0.364
In 0.063 0.250 0.126
In 0.937 0.750 0.874
In 0.500 0.000 0.000
In 0.500 0.500 0.000
Pd 0.225 0.250 0.450
Pd 0.775 0.750 0.550 |
Below is a description of a material. | The chemical formula is: RbMgO3.
The XRD pattern shows main peaks at: 21.6°(0.27), 30.8°(1.0), 37.9°(0.56), 44.0°(0.51), 49.6°(0.13), 54.7°(0.44), 64.1°(0.29), 68.5°(0.06), 72.7°(0.19), 76.9°(0.16), 81.0°(0.11), 89.1°(0.24).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-180757 | 4.11 4.11 4.11
90 90 90
Rb 0.000 0.000 0.000
Mg 0.500 0.500 0.500
O 0.500 0.500 0.000
O 0.500 0.000 0.500
O 0.000 0.500 0.500 |
Below is a description of a material. | The chemical formula is: MnAlPd2.
The XRD pattern shows main peaks at: 28.9°(0.26), 41.4°(1.0), 51.3°(0.07), 59.9°(0.15), 75.5°(0.29).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-16366 | 4.36 4.36 4.36
60 60 60
Mn 0.500 0.500 0.500
Al 0.000 0.000 0.000
Pd 0.250 0.250 0.250
Pd 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: Ho5SbPd2.
The XRD pattern shows main peaks at: 31.4°(0.18), 32.8°(1.0), 35.5°(0.21), 36.8°(0.5), 40.4°(0.07), 53.1°(0.09), 54.9°(0.13), 57.7°(0.11), 68.8°(0.2), 73.6°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-146844 | 8.64 8.64 8.64
126 126 78
Ho 0.000 0.000 0.000
Ho 0.500 0.500 0.000
Ho 0.798 0.298 0.811
Ho 0.202 0.702 0.189
Ho 0.487 0.987 0.189
Ho 0.298 0.487 0.500
Ho 0.013 0.202 0.500
Ho 0.513 0.013 0.811
Ho 0.702 0.513 0.500
Ho 0.987 0.798 0.500
Sb 0.250 0.250 0.000
Sb 0.750 0.750 0.000
Pd 0.138 0.638 0.775
Pd 0.862 0.362 0.225
... |
Below is a description of a material. | The chemical formula is: ScSi2Pd2.
The XRD pattern shows main peaks at: 17.6°(0.55), 31.4°(0.13), 34.8°(0.08), 35.6°(0.14), 36.2°(1.0), 45.0°(0.35), 48.2°(0.31), 48.6°(0.14), 58.7°(0.13), 64.4°(0.13), 65.5°(0.11), 68.4°(0.06), 73.4°(0.07), 77.2°(0.2), 85.3°(0.12).
Generate atomic structure description with lattice leng... | JVASP-155679 | 5.79 5.79 5.79
139 139 59
Sc 0.000 0.000 0.000
Si 0.387 0.387 -0.000
Si 0.613 0.613 0.000
Pd 0.750 0.250 0.500
Pd 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: KBaSn.
The XRD pattern shows main peaks at: 22.4°(0.65), 31.9°(1.0), 39.3°(0.21), 45.7°(0.19), 51.4°(0.27), 56.8°(0.39), 66.6°(0.13), 71.2°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-39509 | 5.62 5.62 5.62
60 59 59
K 0.250 0.250 0.250
Ba 0.500 0.500 0.500
Sn 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: TaV2Re.
The XRD pattern shows main peaks at: 28.9°(0.44), 41.3°(1.0), 51.2°(0.13), 59.9°(0.18), 67.8°(0.16), 75.4°(0.34).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-157308 | 4.37 4.37 4.37
60 60 60
Ta 0.750 0.750 0.750
V 0.000 0.000 0.000
V 0.500 0.500 0.500
Re 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: Bi2Sb2Te3Se3.
The XRD pattern shows main peaks at: 8.8°(0.11), 17.7°(0.14), 24.3°(0.09), 28.4°(1.0), 42.4°(0.41), 51.8°(0.2), 69.1°(0.16), 77.5°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-101468 | 20.19 20.19 20.19
12 12 12
Bi 0.200 0.200 0.200
Bi 0.696 0.696 0.696
Sb 0.301 0.301 0.301
Sb 0.805 0.805 0.805
Te 0.393 0.393 0.393
Te 0.605 0.605 0.605
Te 0.109 0.109 0.109
Se 0.998 0.998 0.998
Se 0.502 0.502 0.502
Se 0.892 0.892 0.892 |
Below is a description of a material. | The chemical formula is: Hg3Br.
The XRD pattern shows main peaks at: 21.7°(0.08), 29.1°(0.36), 32.6°(1.0), 41.5°(0.29), 51.5°(0.31), 53.9°(0.25), 60.1°(0.1), 68.2°(0.13), 70.1°(0.23), 75.9°(0.09), 85.0°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-180541 | 4.35 4.35 6.86
108 108 90
Hg 0.250 0.750 0.500
Hg 0.750 0.250 0.500
Hg 0.500 0.500 -0.000
Br 0.000 -0.000 -0.000 |
Below is a description of a material. | The chemical formula is: SrDy3.
The XRD pattern shows main peaks at: 30.2°(1.0), 35.0°(0.37), 50.3°(0.31), 59.7°(0.3), 62.7°(0.11), 81.9°(0.13), 84.3°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-37345 | 6.27 6.27 6.27
131 131 70
Sr 0.000 0.000 0.000
Dy 0.750 0.250 0.500
Dy 0.250 0.750 0.500
Dy 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: UReB4.
The XRD pattern shows main peaks at: 24.4°(0.76), 31.1°(0.79), 34.8°(0.05), 38.2°(0.2), 40.0°(1.0), 45.9°(0.27), 50.1°(0.19), 56.4°(0.06), 60.2°(0.31), 62.7°(0.14), 64.7°(0.09), 68.3°(0.22), 71.3°(0.08), 76.7°(0.17), 77.2°(0.07), 84.2°(0.13), 87.2°(0.13).
Generate atomic structure descri... | JVASP-151768 | 5.93 5.93 3.64
90 90 104
U 0.700 0.300 0.000
U 0.300 0.700 0.000
Re 0.812 0.812 0.000
Re 0.188 0.188 0.000
B 0.617 0.937 0.500
B 0.383 0.063 0.500
B 0.063 0.383 0.500
B 0.937 0.617 0.500
B 0.620 0.620 0.500
B 0.380 0.380 0.500
B 0.907 0.093 0.500
B 0.093 0.907 0.500 |
Below is a description of a material. | The chemical formula is: Pr2MgSe4.
The XRD pattern shows main peaks at: 13.9°(0.21), 20.4°(0.17), 24.0°(0.22), 28.9°(0.08), 30.7°(0.51), 32.4°(1.0), 37.1°(0.81), 38.4°(0.3).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-113125 | 7.72 7.72 7.72
111 111 106
Pr 0.875 0.749 0.374
Pr 0.499 0.125 0.874
Pr 0.375 0.501 0.626
Pr 0.251 0.625 0.126
Mg 0.000 0.000 0.000
Mg 0.750 0.250 0.500
Se 0.504 0.375 0.267
Se 0.763 0.496 0.871
Se 0.108 0.237 0.733
Se 0.625 0.892 0.129
Se 0.246 0.013 0.371
Se 0.987 0.358 0.233
Se 0.642 0.875 0.629
Se 0.125 0.754 0.767 |
Below is a description of a material. | The chemical formula is: Sr3InN3.
The XRD pattern shows main peaks at: 13.1°(0.25), 21.0°(0.24), 26.4°(0.25), 28.1°(0.83), 31.2°(1.0), 32.9°(0.63), 35.1°(0.36), 38.9°(0.28), 40.0°(0.57), 42.7°(0.14), 48.5°(0.18), 48.9°(0.27), 52.8°(0.45), 55.9°(0.14), 57.7°(0.19), 59.9°(0.2), 62.2°(0.31), 72.0°(0.19), 81.7°(0.16), 82.9... | JVASP-144206 | 7.81 7.81 5.44
90 90 120
Sr 0.930 0.651 0.250
Sr 0.721 0.070 0.250
Sr 0.349 0.279 0.250
Sr 0.070 0.349 0.750
Sr 0.279 0.930 0.750
Sr 0.651 0.721 0.750
In 0.667 0.333 0.750
In 0.333 0.667 0.250
N 0.925 0.620 0.750
N 0.695 0.075 0.750
N 0.380 0.305 0.750
N 0.075 0.380 0.250
N 0.305 0.925 0.250
N 0.620 0.695 0.250 |
Below is a description of a material. | The chemical formula is: AsPW2.
The XRD pattern shows main peaks at: 24.4°(0.33), 40.3°(1.0), 47.6°(0.17), 58.3°(0.17), 64.1°(0.08), 73.3°(0.31), 78.5°(0.06), 87.1°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-75807 | 4.48 4.48 4.48
60 60 60
As 0.500 0.500 0.500
P 0.750 0.750 0.750
W 0.000 0.000 0.000
W 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: TaCoSn2.
The XRD pattern shows main peaks at: 22.9°(0.07), 26.4°(0.07), 37.7°(1.0), 54.5°(0.18), 68.2°(0.37), 80.6°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-51328 | 4.77 4.77 4.77
60 60 60
Ta 0.250 0.250 0.250
Co 0.500 0.500 0.500
Sn 0.000 0.000 0.000
Sn 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: GaTe4Mo4Se4.
The XRD pattern shows main peaks at: 14.3°(0.39), 27.5°(0.15), 28.8°(0.42), 33.3°(1.0), 41.1°(0.42), 43.7°(0.15), 47.8°(0.73), 56.8°(0.2), 59.6°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-95753 | 7.61 7.61 7.61
60 60 60
Ga 0.000 0.000 0.000
Te 0.138 0.138 0.138
Te 0.587 0.138 0.138
Te 0.138 0.587 0.138
Te 0.138 0.138 0.587
Mo 0.405 0.786 0.405
Mo 0.405 0.405 0.405
Mo 0.405 0.405 0.786
Mo 0.786 0.405 0.405
Se 0.632 0.105 0.632
Se 0.632 0.632 0.632
Se 0.632 0.632 0.105
Se 0.105 0.632 0.632 |
Below is a description of a material. | The chemical formula is: Be2Cu.
The XRD pattern shows main peaks at: 25.7°(1.0), 42.5°(0.95), 50.4°(0.71), 61.7°(0.1), 68.0°(0.06), 77.9°(0.29).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-20363 | 4.25 4.25 4.25
60 60 60
Be 0.500 0.500 0.500
Be 0.500 0.500 -0.000
Be 0.000 0.500 0.500
Be 0.500 0.000 0.500
Cu 0.875 0.875 0.875
Cu 0.125 0.125 0.125 |
Below is a description of a material. | The chemical formula is: LiO2.
The XRD pattern shows main peaks at: 27.9°(0.1), 33.6°(0.2), 37.4°(1.0), 50.3°(0.52), 57.4°(0.43), 58.5°(0.22), 70.6°(0.07), 79.8°(0.09), 86.5°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-78860 | 3.69 3.69 3.69
51 51 51
Li 0.500 0.500 0.500
O 0.274 0.274 0.274
O 0.726 0.726 0.726 |
Below is a description of a material. | The chemical formula is: La2SbAu3.
The XRD pattern shows main peaks at: 10.4°(0.07), 22.9°(0.24), 31.2°(0.46), 31.7°(1.0), 37.2°(0.76), 38.4°(0.34), 44.1°(0.2), 45.2°(0.09), 46.7°(0.2), 49.0°(0.16), 50.3°(0.25), 61.2°(0.33), 62.0°(0.17), 63.1°(0.1), 63.9°(0.14), 65.3°(0.12), 68.7°(0.13), 77.2°(0.07), 87.2°(0.14), 89.4°... | JVASP-104951 | 3.89 4.68 8.47
90 90 90
La 0.000 0.000 0.989
La 0.000 0.500 0.514
Sb 0.500 0.000 0.335
Au 0.500 0.500 0.836
Au 0.500 0.500 0.160
Au 0.500 0.000 0.667 |
Below is a description of a material. | The chemical formula is: Rb2SCl6F.
The XRD pattern shows main peaks at: 15.6°(0.08), 25.6°(0.59), 31.4°(1.0), 36.5°(0.89), 45.1°(0.24), 52.5°(0.55), 59.3°(0.13), 62.5°(0.37), 65.6°(0.17), 71.7°(0.13), 77.5°(0.08), 86.0°(0.08), 88.8°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates ... | JVASP-38034 | 6.97 6.97 6.97
60 60 60
Rb 0.250 0.250 0.250
Rb 0.750 0.750 0.750
S 0.000 0.000 0.000
Cl 0.235 0.765 0.765
Cl 0.235 0.765 0.235
Cl 0.765 0.235 0.765
Cl 0.765 0.765 0.235
Cl 0.235 0.235 0.765
Cl 0.765 0.235 0.235
F 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: PrMg3.
The XRD pattern shows main peaks at: 20.8°(0.7), 24.0°(0.34), 34.3°(1.0), 40.4°(0.39), 42.3°(0.11), 49.2°(0.18), 61.3°(0.35).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-14712 | 5.23 5.23 5.23
60 60 60
Pr 0.000 0.000 0.000
Mg 0.500 0.500 0.500
Mg 0.250 0.250 0.250
Mg 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: TbMgCo4.
The XRD pattern shows main peaks at: 22.0°(0.22), 25.5°(0.24), 36.3°(0.36), 42.9°(1.0), 44.9°(0.32), 65.4°(0.1), 69.9°(0.3), 77.1°(0.19).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-172959 | 4.95 4.95 4.95
60 60 60
Tb -0.000 -0.000 0.000
Mg 0.750 0.750 0.750
Co 0.873 0.376 0.376
Co 0.376 0.873 0.376
Co 0.376 0.376 0.873
Co 0.376 0.376 0.376 |
Below is a description of a material. | The chemical formula is: YH2O3.
The XRD pattern shows main peaks at: 19.9°(0.6), 22.5°(1.0), 24.5°(0.21), 31.8°(0.66), 33.5°(0.24), 36.5°(0.06), 40.9°(0.22), 44.4°(0.39), 45.9°(0.14), 47.9°(0.22), 50.1°(0.11), 52.7°(0.3), 54.5°(0.08), 55.6°(0.21), 59.0°(0.05), 61.7°(0.07), 64.8°(0.17), 66.6°(0.08), 70.3°(0.07), 77.0°(0... | JVASP-136775 | 4.97 4.97 3.64
90 90 52
Y 0.000 0.000 0.500
H 0.734 0.734 -0.001
H 0.266 0.266 0.001
O 0.156 0.156 0.000
O 0.844 0.844 -0.000
O 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: LiBi3I2O4.
The XRD pattern shows main peaks at: 15.4°(0.11), 18.8°(0.13), 30.1°(1.0), 31.8°(0.38), 40.4°(0.09), 45.6°(0.2), 52.3°(0.24), 55.6°(0.18), 62.5°(0.12), 67.1°(0.1), 89.3°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-43264 | 5.63 7.27 11.25
90 90 112
Li 0.785 0.570 0.000
Li 0.215 0.430 0.500
Bi 0.158 0.316 -0.000
Bi 0.665 0.331 0.256
Bi 0.335 0.669 0.244
Bi 0.842 0.684 0.500
Bi 0.665 0.331 0.744
Bi 0.335 0.669 0.756
I -0.000 0.000 0.750
I 0.498 0.996 0.500
I -0.000 0.000 0.250
I 0.502 0.004 -0.000
O 0.492 0.488 0.126
O 0.996 0.488 0.126
O ... |
Below is a description of a material. | The chemical formula is: Ga3Co.
The XRD pattern shows main peaks at: 19.7°(0.23), 24.4°(0.13), 32.0°(0.19), 34.3°(0.39), 40.0°(0.21), 40.8°(0.11), 42.7°(1.0), 45.9°(0.58), 49.9°(0.06), 56.7°(0.16), 66.4°(0.11), 68.2°(0.11), 70.1°(0.1), 75.8°(0.24), 89.6°(0.16).
Generate atomic structure description with lattice lengths... | JVASP-12318 | 6.26 6.26 6.49
90 90 90
Ga 0.500 0.000 0.500
Ga 0.500 0.000 0.000
Ga 0.000 0.500 0.500
Ga 0.000 0.500 0.000
Ga 0.651 0.349 0.243
Ga 0.849 0.849 0.257
Ga 0.151 0.151 0.257
Ga 0.349 0.651 0.243
Ga 0.349 0.651 0.757
Ga 0.651 0.349 0.757
Ga 0.849 0.849 0.743
Ga 0.151 0.151 0.743
Co 0.843 0.157 0.500
Co 0.657 0.657 0.000
Co... |
Below is a description of a material. | The chemical formula is: SrSm3Mn4O12.
The XRD pattern shows main peaks at: 23.0°(0.17), 25.8°(0.11), 32.4°(0.21), 32.9°(1.0), 34.5°(0.07), 40.2°(0.09), 40.7°(0.11), 47.0°(0.24), 48.5°(0.1), 54.0°(0.09), 58.1°(0.11), 58.9°(0.31), 64.7°(0.05), 68.9°(0.13).
Generate atomic structure description with lattice lengths, angle... | JVASP-145823 | 7.68 5.42 5.52
90 90 90
Sr 0.500 0.494 0.534
Sm 0.000 0.992 0.953
Sm 0.000 0.511 0.448
Sm 0.500 0.012 0.050
Mn 0.250 0.499 0.997
Mn 0.250 0.002 0.502
Mn 0.750 0.002 0.502
Mn 0.750 0.499 0.997
O 0.000 0.084 0.523
O 0.500 0.583 0.995
O 0.279 0.281 0.280
O 0.204 0.786 0.213
O 0.201 0.713 0.713
O 0.721 0.281 0.280
O 0.799 ... |
Below is a description of a material. | The chemical formula is: MnMoAs2.
The XRD pattern shows main peaks at: 20.5°(0.13), 29.8°(0.17), 31.8°(0.39), 33.5°(0.83), 40.4°(0.14), 41.7°(1.0), 42.9°(0.92), 45.3°(0.22), 48.4°(0.24), 50.6°(0.38), 53.9°(0.3), 60.0°(0.12), 64.0°(0.11), 70.3°(0.19), 71.1°(0.08), 73.0°(0.1), 75.3°(0.14), 76.3°(0.1), 82.8°(0.25), 84.9°(... | JVASP-107748 | 3.40 5.91 6.39
90 90 90
Mn 0.500 0.249 0.689
Mn 0.000 0.751 0.189
Mo 0.500 0.744 0.808
Mo 0.000 0.256 0.308
As 0.500 0.044 0.078
As 0.500 0.558 0.425
As 0.000 0.442 0.925
As 0.000 0.956 0.578 |
Below is a description of a material. | The chemical formula is: Y2SO2.
The XRD pattern shows main peaks at: 27.1°(0.28), 30.4°(1.0), 38.7°(0.32), 41.0°(0.09), 48.0°(0.34), 49.9°(0.23), 55.9°(0.15), 57.8°(0.15), 63.2°(0.09), 64.9°(0.12), 71.7°(0.08), 78.3°(0.12), 83.1°(0.08), 89.5°(0.06).
Generate atomic structure description with lattice lengths, angles, co... | JVASP-114375 | 3.79 3.79 6.60
90 90 120
Y 0.333 0.667 0.282
Y 0.667 0.333 0.718
S 0.000 0.000 0.000
O 0.333 0.667 0.630
O 0.667 0.333 0.370 |
Below is a description of a material. | The chemical formula is: V4CoNiO12.
The XRD pattern shows main peaks at: 13.8°(0.28), 18.7°(0.36), 20.0°(0.4), 24.1°(0.24), 26.0°(0.12), 28.7°(1.0), 30.7°(0.59), 33.3°(0.45), 36.0°(0.22), 39.4°(0.11), 45.9°(0.22), 47.0°(0.09), 51.9°(0.18), 53.6°(0.12), 55.9°(0.18), 62.9°(0.06), 64.2°(0.08), 67.0°(0.11), 67.7°(0.09), 73... | JVASP-43118 | 6.65 6.65 5.77
74 105 96
V 0.201 0.611 0.760
V 0.390 0.797 0.262
V 0.611 0.201 0.740
V 0.797 0.390 0.238
Co 0.083 0.083 0.750
Ni 0.918 0.918 0.250
O 0.809 0.028 0.861
O 0.622 0.343 0.435
O 0.627 0.917 0.271
O 0.655 0.379 0.933
O 0.343 0.622 0.065
O 0.194 0.972 0.143
O 0.379 0.655 0.567
O 0.917 0.627 0.229
O 0.084 0.372... |
Below is a description of a material. | The chemical formula is: MnCdSe4.
The XRD pattern shows main peaks at: 24.3°(0.08), 27.9°(0.81), 30.9°(0.55), 31.2°(1.0), 34.1°(0.36), 34.6°(0.83), 39.8°(0.31), 46.8°(0.48), 47.1°(0.33), 47.4°(0.54), 48.8°(0.19), 50.8°(0.09), 51.4°(0.25), 53.2°(0.13), 53.7°(0.09), 67.4°(0.08), 69.6°(0.08), 77.1°(0.17), 77.8°(0.08), 85.... | JVASP-116674 | 6.42 6.41 6.40
88 90 90
Mn 0.000 0.000 0.000
Mn 0.500 0.500 -0.000
Cd 0.000 0.500 0.500
Cd 0.500 -0.000 0.500
Se 0.640 0.141 0.083
Se 0.140 0.359 0.917
Se 0.405 0.601 0.365
Se 0.905 0.899 0.635
Se 0.360 0.859 0.917
Se 0.860 0.641 0.083
Se 0.595 0.399 0.635
Se 0.095 0.101 0.365 |
Below is a description of a material. | The chemical formula is: Mg2AgPt.
The XRD pattern shows main peaks at: 23.9°(0.11), 27.6°(0.58), 39.5°(1.0), 46.7°(0.07), 48.9°(0.18), 57.1°(0.17), 64.6°(0.24), 71.6°(0.3), 85.0°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-188083 | 4.56 4.56 4.56
60 60 60
Mg 0.250 0.250 0.250
Mg 0.750 0.750 0.750
Ag 0.000 -0.000 0.000
Pt 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: KPb2.
The XRD pattern shows main peaks at: 15.2°(0.62), 16.3°(0.33), 17.3°(0.31), 29.0°(0.26), 31.3°(0.75), 31.8°(1.0), 32.9°(0.34), 35.0°(0.58), 36.4°(0.2), 39.7°(0.41), 41.0°(0.12), 48.4°(0.12), 49.9°(0.21), 52.5°(0.29), 53.6°(0.15), 54.6°(0.29), 64.6°(0.14), 65.3°(0.28), 66.5°(0.07), 77.1°(0... | JVASP-23542 | 6.72 6.72 10.89
90 90 120
K 0.333 0.667 0.935
K 0.667 0.333 0.435
K 0.667 0.333 0.065
K 0.333 0.667 0.565
Pb 0.000 0.000 0.000
Pb 0.000 0.000 0.500
Pb 0.833 0.167 0.750
Pb 0.167 0.335 0.250
Pb 0.665 0.833 0.250
Pb 0.335 0.167 0.750
Pb 0.833 0.665 0.750
Pb 0.167 0.833 0.250 |
Below is a description of a material. | The chemical formula is: SnICl.
The XRD pattern shows main peaks at: 9.1°(0.18), 18.2°(0.38), 27.0°(1.0), 27.4°(0.33), 28.5°(0.07), 32.7°(0.39), 38.8°(0.52), 42.9°(0.19), 46.5°(0.09), 47.9°(0.28), 54.6°(0.22), 55.6°(0.12), 59.0°(0.07), 61.9°(0.16), 62.9°(0.2), 66.1°(0.1), 69.9°(0.18), 75.3°(0.09), 81.7°(0.15), 89.0°(0.... | JVASP-115880 | 3.30 3.30 9.77
90 90 90
Sn 0.000 0.000 0.624
I 0.000 0.000 0.007
Cl 0.000 0.000 0.381 |
Below is a description of a material. | The chemical formula is: LiMgSbPt.
The XRD pattern shows main peaks at: 23.6°(0.92), 39.0°(1.0), 46.0°(0.44), 56.3°(0.18), 70.6°(0.36), 83.7°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-55017 | 4.62 4.62 4.62
60 60 60
Li 0.750 0.750 0.750
Mg 0.500 0.500 0.500
Sb 0.000 0.000 0.000
Pt 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: YPO4.
The XRD pattern shows main peaks at: 19.5°(0.21), 25.8°(1.0), 34.8°(0.57), 36.8°(0.14), 41.9°(0.18), 46.7°(0.1), 51.5°(0.5), 53.0°(0.14), 59.8°(0.09), 64.9°(0.14), 67.4°(0.08), 73.4°(0.1), 84.0°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and ato... | JVASP-21514 | 5.76 5.76 5.76
106 106 116
Y 0.125 0.875 0.250
Y 0.875 0.125 0.750
P 0.375 0.625 0.750
P 0.625 0.375 0.250
O 0.784 0.359 0.075
O 0.710 0.784 0.925
O 0.359 0.784 0.575
O 0.784 0.710 0.425
O 0.290 0.216 0.075
O 0.216 0.641 0.925
O 0.216 0.290 0.575
O 0.641 0.216 0.425 |
Below is a description of a material. | The chemical formula is: MnZnPd2.
The XRD pattern shows main peaks at: 29.0°(0.1), 41.5°(1.0), 60.1°(0.17), 75.6°(0.35).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-163199 | 4.36 4.36 4.36
60 60 60
Mn 0.250 0.250 0.250
Zn 0.750 0.750 0.750
Pd 0.000 0.000 0.000
Pd 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: NdH2.
The XRD pattern shows main peaks at: 28.1°(1.0), 32.6°(0.47), 46.7°(0.37), 55.4°(0.44), 58.1°(0.13), 68.2°(0.06), 75.3°(0.17), 77.7°(0.15), 86.8°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-18381 | 3.89 3.89 3.89
60 60 60
Nd 0.000 0.000 0.000
H 0.750 0.750 0.750
H 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: GaI.
The XRD pattern shows main peaks at: 19.1°(0.97), 20.2°(0.93), 27.9°(0.81), 33.3°(0.83), 38.7°(0.16), 39.3°(1.0), 41.0°(0.16), 44.0°(0.23), 45.6°(0.19), 53.8°(0.43), 59.6°(0.14), 63.5°(0.24), 73.6°(0.2), 74.8°(0.15).
Generate atomic structure description with lattice lengths, angles, coord... | JVASP-114952 | 5.38 5.38 4.41
90 90 120
Ga 0.000 0.000 0.000
I 0.333 0.667 0.000 |
Below is a description of a material. | The chemical formula is: W3O8.
The XRD pattern shows main peaks at: 23.3°(1.0), 27.5°(0.59), 29.2°(0.93), 36.4°(0.39), 37.7°(0.63), 47.6°(0.19), 49.7°(0.28), 52.7°(0.1), 55.6°(0.31), 56.8°(0.36), 58.4°(0.12), 60.5°(0.1), 62.3°(0.1), 65.7°(0.11), 71.3°(0.19), 73.8°(0.07), 77.2°(0.07), 80.4°(0.09), 82.0°(0.08), 83.6°(0.0... | JVASP-59575 | 3.82 6.13 6.13
116 90 90
W 0.000 0.685 0.315
W 0.000 0.315 0.685
W 0.000 0.000 0.000
O 0.000 0.960 0.664
O 0.000 0.040 0.336
O 0.000 0.664 0.960
O 0.000 0.500 0.500
O 0.500 0.000 0.000
O 0.000 0.336 0.040
O 0.500 0.690 0.310
O 0.500 0.310 0.690 |
Below is a description of a material. | The chemical formula is: YAl2Cd2.
The XRD pattern shows main peaks at: 15.2°(0.22), 21.9°(0.06), 30.8°(0.24), 33.1°(1.0), 41.7°(0.35), 42.9°(0.16), 44.2°(0.09), 52.7°(0.2), 56.2°(0.16), 60.5°(0.11), 62.4°(0.06), 69.4°(0.07), 70.7°(0.21), 77.0°(0.05), 79.4°(0.09), 87.2°(0.08).
Generate atomic structure description with ... | JVASP-158132 | 6.57 6.57 6.57
141 141 55
Y 0.000 0.000 0.000
Al 0.394 0.394 0.000
Al 0.606 0.606 0.000
Cd 0.750 0.250 0.500
Cd 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: NaMgAs.
The XRD pattern shows main peaks at: 12.4°(0.23), 23.8°(1.0), 25.0°(0.14), 28.7°(0.51), 31.4°(0.11), 32.3°(0.41), 38.4°(0.83), 41.1°(0.57), 43.2°(0.35), 48.1°(0.32), 48.7°(0.1), 53.2°(0.19), 55.6°(0.1), 59.5°(0.18), 61.2°(0.26), 67.4°(0.09), 71.4°(0.09), 73.1°(0.25), 79.9°(0.11), 83.8°(... | JVASP-2487 | 4.39 4.39 7.14
90 90 90
Na 0.500 0.000 0.368
Na 0.000 0.500 0.632
Mg 0.500 0.500 0.000
Mg 0.000 0.000 0.000
As 0.500 0.000 0.782
As 0.000 0.500 0.218 |
Below is a description of a material. | The chemical formula is: Fe2P.
The XRD pattern shows main peaks at: 40.7°(1.0), 44.8°(0.61), 48.1°(0.44), 53.1°(0.26), 55.1°(0.2), 55.4°(0.15), 67.5°(0.07), 73.6°(0.11), 74.5°(0.2), 80.0°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-150631 | 5.78 5.78 3.45
90 90 120
Fe 0.258 -0.000 0.000
Fe -0.000 0.258 0.000
Fe 0.742 0.742 0.000
Fe 0.593 -0.000 0.500
Fe -0.000 0.593 0.500
Fe 0.407 0.407 0.500
P 0.333 0.667 0.000
P 0.667 0.333 0.000
P 0.000 0.000 0.500 |
Below is a description of a material. | The chemical formula is: BaSnSe.
The XRD pattern shows main peaks at: 19.8°(0.43), 22.9°(0.06), 32.7°(1.0), 38.5°(0.24), 46.8°(0.18), 51.3°(0.1), 58.3°(0.41), 62.2°(0.08), 68.4°(0.13), 72.0°(0.08), 77.9°(0.19).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-66349 | 5.48 5.48 5.48
60 60 60
Ba 0.750 0.750 0.750
Sn 0.500 0.500 0.500
Se 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Zr5Al3.
The XRD pattern shows main peaks at: 24.4°(0.26), 25.5°(0.31), 32.4°(0.12), 33.3°(0.24), 33.6°(0.79), 34.4°(0.09), 35.3°(0.1), 36.3°(0.58), 37.5°(1.0), 40.7°(0.52), 52.3°(0.13), 54.3°(0.13), 55.9°(0.08), 58.6°(0.14), 59.1°(0.23), 59.7°(0.25), 60.9°(0.18), 62.2°(0.21), 69.9°(0.08), 81.4°... | JVASP-154646 | 8.27 8.27 8.27
96 96 141
Zr 0.750 0.250 0.500
Zr 0.250 0.750 0.500
Zr 0.921 0.780 0.702
Zr 0.079 0.220 0.298
Zr 0.220 0.921 0.141
Zr 0.780 0.079 0.859
Zr 0.579 0.280 0.859
Zr 0.421 0.720 0.141
Zr 0.280 0.421 0.702
Zr 0.720 0.579 0.298
Al 0.750 0.750 0.000
Al 0.250 0.250 0.000
Al 0.837 0.337 0.173
Al 0.163 0.663 0.827
A... |
Below is a description of a material. | The chemical formula is: Sr3V2O7.
The XRD pattern shows main peaks at: 26.3°(0.06), 32.1°(1.0), 33.0°(0.69), 42.7°(0.28), 44.5°(0.17), 47.4°(0.44), 56.5°(0.12), 58.4°(0.35), 67.1°(0.08), 69.2°(0.11), 78.9°(0.11), 86.2°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types... | JVASP-141542 | 3.84 3.84 10.53
100 100 90
Sr 0.685 0.685 0.369
Sr 0.315 0.315 0.631
Sr 0.500 0.500 0.000
V 0.905 0.905 0.810
V 0.095 0.095 0.190
O 0.905 0.405 0.810
O 0.405 0.905 0.810
O 0.095 0.595 0.190
O 0.595 0.095 0.190
O 0.807 0.807 0.614
O 0.000 0.000 0.000
O 0.193 0.193 0.386 |
Below is a description of a material. | The chemical formula is: DyFe2O4.
The XRD pattern shows main peaks at: 10.7°(0.52), 21.5°(0.35), 29.6°(1.0), 32.8°(0.89), 34.6°(0.77), 39.0°(0.1), 41.6°(0.19), 47.3°(0.45), 52.0°(0.51), 55.7°(0.06), 60.6°(0.27), 61.0°(0.13), 62.8°(0.42), 64.0°(0.14), 73.0°(0.12).
Generate atomic structure description with lattice lengt... | JVASP-99589 | 8.50 8.50 8.50
23 23 23
Dy 0.500 0.500 0.500
Fe 0.712 0.712 0.712
Fe 0.288 0.288 0.288
O 0.791 0.791 0.791
O 0.627 0.627 0.627
O 0.209 0.209 0.209
O 0.373 0.373 0.373 |
Below is a description of a material. | The chemical formula is: Yb2CdSe4.
The XRD pattern shows main peaks at: 13.0°(0.22), 21.4°(0.14), 25.1°(0.9), 30.4°(0.67), 39.8°(0.37), 43.5°(1.0), 54.0°(0.18), 63.2°(0.16), 79.9°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-58392 | 8.32 8.32 8.32
60 60 60
Yb 0.500 0.500 0.000
Yb 0.500 0.500 0.500
Yb -0.000 0.500 0.500
Yb 0.500 0.000 0.500
Cd 0.875 0.875 0.875
Cd 0.125 0.125 0.125
Se 0.745 0.745 0.745
Se 0.255 0.255 0.735
Se 0.255 0.735 0.255
Se 0.735 0.255 0.255
Se 0.745 0.265 0.745
Se 0.265 0.745 0.745
Se 0.255 0.255 0.255
Se 0.745 0.745 0.265 |
Below is a description of a material. | The chemical formula is: InP.
The XRD pattern shows main peaks at: 25.9°(1.0), 30.0°(0.26), 43.0°(0.51), 50.9°(0.41), 53.3°(0.07), 62.4°(0.09), 78.7°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-1183 | 4.21 4.21 4.21
60 60 60
In 0.000 0.000 0.000
P 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: FeS.
The XRD pattern shows main peaks at: 30.9°(0.55), 35.7°(0.34), 47.5°(1.0), 55.0°(0.46), 63.3°(0.05), 64.5°(0.06), 74.2°(0.06), 75.6°(0.22), 82.5°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-42474 | 3.34 3.34 5.11
90 90 120
Fe 0.000 0.000 0.000
Fe 0.000 0.000 0.500
S 0.333 0.667 0.250
S 0.667 0.333 0.750 |
Below is a description of a material. | The chemical formula is: ZrSn3.
The XRD pattern shows main peaks at: 33.8°(1.0), 34.7°(0.24), 41.4°(0.29), 55.1°(0.25), 59.9°(0.09), 70.6°(0.24), 71.2°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-90778 | 4.36 4.36 10.34
90 90 90
Zr 0.500 0.500 0.500
Zr 0.000 0.000 0.000
Sn 0.000 0.000 0.500
Sn 0.500 0.000 0.250
Sn 0.000 0.500 0.250
Sn 0.500 0.500 0.000
Sn 0.000 0.500 0.750
Sn 0.500 0.000 0.750 |
Below is a description of a material. | The chemical formula is: BeNb2Ir.
The XRD pattern shows main peaks at: 12.2°(0.44), 24.6°(0.18), 31.1°(0.3), 33.5°(0.47), 37.3°(0.22), 40.0°(1.0), 44.5°(0.45), 46.4°(0.07), 49.3°(0.16), 50.4°(0.07), 51.5°(0.09), 59.4°(0.22), 64.8°(0.16), 69.5°(0.1), 73.2°(0.18), 75.0°(0.09), 77.2°(0.11), 79.0°(0.3), 81.6°(0.06), 85.6°(... | JVASP-70927 | 2.88 2.88 7.24
90 90 90
Be 0.000 0.000 0.543
Nb 0.000 0.000 0.966
Nb 0.500 0.500 0.289
Ir 0.500 0.500 0.701 |
Below is a description of a material. | The chemical formula is: W3C.
The XRD pattern shows main peaks at: 19.5°(0.16), 27.3°(0.27), 36.2°(0.06), 39.6°(0.29), 41.5°(1.0), 52.2°(0.26), 59.9°(0.07), 67.4°(0.23), 73.1°(0.19), 76.9°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-37422 | 5.18 5.18 5.18
140 140 57
W 0.750 0.250 0.500
W 0.250 0.750 0.500
W 0.500 0.500 0.000
C 0.000 0.000 0.000 |
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