instruction stringclasses 1
value | input stringlengths 172 433 | id stringlengths 7 12 | output stringlengths 43 458 |
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Below is a description of a material. | The chemical formula is: Dy2Co17.
The XRD pattern shows main peaks at: 26.0°(0.05), 31.1°(0.42), 32.3°(0.11), 37.8°(0.43), 39.1°(0.31), 43.9°(0.68), 44.2°(1.0), 45.2°(0.47), 49.7°(0.2), 64.2°(0.11), 64.8°(0.26), 72.7°(0.15), 80.7°(0.17), 82.8°(0.11).
Generate atomic structure description with lattice lengths, angles, c... | JVASP-154803 | 6.23 6.23 6.23
82 82 82
Dy 0.344 0.344 0.344
Dy 0.656 0.656 0.656
Co 0.097 0.097 0.097
Co 0.903 0.903 0.903
Co 0.654 0.150 0.654
Co 0.150 0.654 0.654
Co 0.654 0.654 0.150
Co 0.346 0.850 0.346
Co 0.346 0.346 0.850
Co 0.500 0.000 0.000
Co 0.711 0.289 -0.000
Co 0.000 0.711 0.289
Co 0.711 0.000 0.289
Co 0.289 0.711 -0.000
... |
Below is a description of a material. | The chemical formula is: Co2RhS4.
The XRD pattern shows main peaks at: 16.2°(0.29), 26.6°(0.21), 31.2°(1.0), 37.9°(0.57), 49.9°(0.32), 54.6°(0.59), 68.1°(0.06), 68.6°(0.06), 80.9°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-53577 | 6.72 6.69 6.72
60 60 60
Co 0.001 0.999 0.001
Co 0.249 0.251 0.249
Co 0.625 0.125 0.625
Co 0.625 0.625 0.625
Rh 0.125 0.625 0.625
Rh 0.625 0.625 0.125
S 0.385 0.368 0.385
S 0.390 0.375 0.859
S 0.385 0.862 0.385
S 0.859 0.375 0.390
S 0.391 0.875 0.860
S 0.865 0.388 0.865
S 0.860 0.875 0.391
S 0.865 0.882 0.865 |
Below is a description of a material. | The chemical formula is: Li3Zn2SbO6.
The XRD pattern shows main peaks at: 18.2°(1.0), 20.3°(0.08), 22.8°(0.06), 34.5°(0.41), 36.1°(0.3), 36.8°(0.09), 41.9°(0.25), 42.3°(0.52), 46.2°(0.17), 56.2°(0.11), 60.6°(0.15), 61.5°(0.14), 64.0°(0.11), 76.6°(0.11).
Generate atomic structure description with lattice lengths, angles... | JVASP-34694 | 5.21 5.28 5.28
119 100 100
Li 0.500 0.171 0.829
Li 0.500 0.829 0.171
Li 0.500 0.500 0.500
Zn -0.000 0.334 0.666
Zn 0.000 0.666 0.334
Sb 0.000 0.000 0.000
O 0.761 0.922 0.606
O 0.230 0.763 0.763
O 0.239 0.078 0.394
O 0.761 0.606 0.922
O 0.770 0.237 0.237
O 0.239 0.394 0.078 |
Below is a description of a material. | The chemical formula is: NaFe2Mo2H3O10.
The XRD pattern shows main peaks at: 12.9°(0.25), 17.7°(1.0), 18.9°(0.16), 25.0°(0.83), 27.3°(0.76), 28.7°(0.14), 29.3°(0.61), 31.7°(0.61), 33.9°(0.18), 34.6°(0.82), 35.5°(0.19), 39.1°(0.15), 40.6°(0.17), 48.0°(0.14), 51.2°(0.09), 52.7°(0.49), 53.5°(0.1), 56.4°(0.18), 59.1°(0.22)... | JVASP-142785 | 5.68 5.68 7.68
67 67 66
Na 0.499 0.499 0.504
Fe 0.977 0.513 0.998
Fe 0.513 0.977 0.998
Mo 0.082 0.082 0.715
Mo 0.922 0.922 0.286
H 0.679 0.679 0.764
H 0.311 0.311 0.236
H 0.468 0.468 0.017
O 0.810 0.276 0.257
O 0.276 0.810 0.257
O 0.762 0.762 0.518
O 0.240 0.240 0.480
O 0.168 0.168 0.886
O 0.643 0.643 0.907
O 0.835 0.8... |
Below is a description of a material. | The chemical formula is: Rb2ScAuI6.
The XRD pattern shows main peaks at: 13.1°(0.11), 15.1°(0.4), 26.3°(0.65), 30.5°(1.0), 43.7°(0.69), 54.2°(0.26), 63.5°(0.11), 72.0°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-107624 | 8.29 8.29 8.29
60 60 60
Rb 0.750 0.750 0.750
Rb 0.250 0.250 0.250
Sc 0.000 0.000 0.000
Au 0.500 0.500 0.500
I 0.754 0.246 0.246
I 0.246 0.246 0.754
I 0.246 0.754 0.754
I 0.246 0.754 0.246
I 0.754 0.246 0.754
I 0.754 0.754 0.246 |
Below is a description of a material. | The chemical formula is: BeInIr2.
The XRD pattern shows main peaks at: 13.7°(0.24), 29.4°(0.07), 32.6°(0.57), 40.8°(1.0), 42.0°(0.63), 44.4°(0.06), 57.2°(0.06), 61.0°(0.37), 70.8°(0.12), 73.5°(0.11), 76.0°(0.31), 76.8°(0.1), 81.1°(0.13), 88.4°(0.07).
Generate atomic structure description with lattice lengths, angles, c... | JVASP-73866 | 3.04 3.04 6.44
90 90 90
Be 0.000 0.000 0.426
In 0.500 0.500 0.745
Ir 0.000 0.000 0.014
Ir 0.500 0.500 0.314 |
Below is a description of a material. | The chemical formula is: V2AsC.
The XRD pattern shows main peaks at: 33.1°(0.23), 41.0°(1.0), 59.2°(0.24), 74.5°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-188652 | 3.12 3.12 11.40
90 90 119
V 0.667 0.333 0.591
V 0.333 0.667 0.409
V 0.333 0.667 0.091
V 0.667 0.333 0.909
As 0.667 0.333 0.250
As 0.333 0.667 0.750
C 0.000 0.000 0.500
C 0.000 0.000 -0.000 |
Below is a description of a material. | The chemical formula is: Nb2C.
The XRD pattern shows main peaks at: 32.5°(0.06), 33.0°(0.25), 36.0°(0.35), 37.2°(0.58), 37.7°(1.0), 49.6°(0.22), 59.2°(0.09), 65.8°(0.18), 71.3°(0.09), 72.1°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-86874 | 3.12 4.99 11.03
90 90 90
Nb 0.000 0.734 0.297
Nb 0.500 0.266 0.703
Nb 0.500 0.752 0.545
Nb 0.000 0.766 0.797
Nb 0.500 0.748 0.045
Nb 0.000 0.248 0.455
Nb 0.000 0.252 0.955
Nb 0.500 0.234 0.203
C 0.500 0.991 0.375
C 0.000 0.009 0.625
C 0.500 0.509 0.875
C 0.000 0.491 0.125 |
Below is a description of a material. | The chemical formula is: CSNCl2F5.
The XRD pattern shows main peaks at: 13.0°(0.14), 17.4°(0.25), 17.8°(0.45), 20.0°(0.16), 22.4°(0.15), 23.1°(1.0), 25.3°(0.35), 26.2°(0.32), 27.5°(0.27), 29.9°(0.21), 30.4°(0.21), 31.0°(0.14), 35.0°(0.13), 36.6°(0.1), 37.4°(0.12), 39.8°(0.26), 40.3°(0.2), 41.1°(0.16), 56.8°(0.13), 57.3... | JVASP-140348 | 5.43 7.52 8.03
105 89 109
C 0.713 0.179 0.286
C 0.287 0.821 0.714
S 0.587 0.200 0.796
S 0.413 0.800 0.204
N 0.485 0.049 0.258
N 0.515 0.951 0.742
Cl 0.721 0.419 0.341
Cl 0.279 0.581 0.659
Cl -0.014 0.847 0.722
Cl 0.014 0.153 0.278
F 0.383 0.207 0.945
F 0.369 0.192 0.653
F 0.631 0.808 0.347
F 0.679 0.438 0.847
F 0.321 0... |
Below is a description of a material. | The chemical formula is: Mg2SiO4.
The XRD pattern shows main peaks at: 16.8°(0.47), 18.7°(0.18), 25.2°(0.35), 29.3°(0.2), 34.9°(0.15), 39.0°(1.0), 51.7°(0.48), 55.6°(0.07), 60.7°(0.37), 69.1°(0.21), 74.5°(0.11), 83.7°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-34341 | 4.75 6.10 6.10
120 90 90
Mg 0.500 0.500 -0.000
Mg 0.500 0.000 0.000
Mg 0.500 0.500 0.500
Mg 0.500 -0.000 0.500
Si 0.098 0.667 0.333
Si 0.902 0.333 0.667
O 0.242 0.333 0.667
O 0.742 0.190 0.810
O 0.742 0.620 0.810
O 0.258 0.810 0.620
O 0.758 0.667 0.333
O 0.258 0.810 0.190
O 0.258 0.380 0.190
O 0.742 0.190 0.380 |
Below is a description of a material. | The chemical formula is: CaGa2P2.
The XRD pattern shows main peaks at: 10.8°(0.18), 21.6°(0.18), 26.6°(0.3), 27.2°(0.9), 28.8°(0.87), 31.3°(0.45), 34.5°(0.66), 38.4°(0.25), 47.0°(1.0), 52.3°(0.06), 55.2°(0.12), 56.1°(0.12), 59.6°(0.12), 75.3°(0.09), 79.2°(0.11), 87.4°(0.16).
Generate atomic structure description with l... | JVASP-150785 | 3.87 3.87 16.46
90 90 120
Ca 0.000 0.000 0.000
Ca 0.000 0.000 0.500
Ga 0.667 0.333 0.175
Ga 0.333 0.667 0.675
Ga 0.333 0.667 0.825
Ga 0.667 0.333 0.325
P 0.667 0.333 0.614
P 0.333 0.667 0.114
P 0.333 0.667 0.386
P 0.667 0.333 0.886 |
Below is a description of a material. | The chemical formula is: Ca2CdPb.
The XRD pattern shows main peaks at: 20.0°(0.11), 23.1°(0.38), 33.0°(1.0), 38.9°(0.06), 40.7°(0.13), 47.3°(0.19), 53.3°(0.19), 58.9°(0.37), 69.1°(0.11), 74.0°(0.1), 78.7°(0.15), 83.4°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-41362 | 5.43 5.43 5.43
60 60 60
Ca 0.000 0.000 0.000
Ca 0.500 0.500 0.500
Cd 0.250 0.250 0.250
Pb 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: AgF2.
The XRD pattern shows main peaks at: 25.9°(1.0), 29.0°(0.7), 39.3°(0.66), 45.7°(0.55), 53.3°(0.14), 55.0°(0.56), 60.1°(0.07), 61.8°(0.18), 66.5°(0.14), 72.8°(0.11), 78.6°(0.19), 80.2°(0.17), 84.5°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and a... | JVASP-139264 | 3.97 3.97 3.08
90 90 120
Ag 0.000 0.000 0.000
F 0.333 0.667 0.000
F 0.667 0.333 0.000 |
Below is a description of a material. | The chemical formula is: In4CuAg3Te8.
The XRD pattern shows main peaks at: 23.9°(1.0), 39.5°(0.79), 46.7°(0.31), 57.1°(0.08), 62.7°(0.06), 71.6°(0.16), 76.7°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-139868 | 6.45 6.45 12.90
90 90 90
In 0.500 0.000 0.253
In 0.000 0.500 0.747
In 0.500 0.500 0.000
In 0.000 0.000 0.500
Cu 0.500 0.500 0.500
Ag 0.000 0.500 0.257
Ag 0.500 0.000 0.743
Ag 0.000 0.000 0.000
Te 0.737 0.268 0.383
Te 0.251 0.760 0.873
Te 0.263 0.732 0.383
Te 0.749 0.240 0.873
Te 0.240 0.251 0.127
Te 0.732 0.737 0.617
T... |
Below is a description of a material. | The chemical formula is: Fe6O5F7.
The XRD pattern shows main peaks at: 26.9°(1.0), 27.8°(0.96), 35.4°(0.35), 35.7°(0.53), 38.8°(0.1), 39.9°(0.11), 40.8°(0.13), 52.5°(0.14), 52.9°(0.16), 53.8°(0.31), 54.5°(0.35), 55.4°(0.15), 57.5°(0.16), 61.3°(0.17), 64.2°(0.05), 67.5°(0.17), 68.7°(0.23).
Generate atomic structure desc... | JVASP-112819 | 4.59 5.50 7.70
85 88 88
Fe 0.500 0.166 0.337
Fe 0.477 0.480 0.001
Fe 0.540 0.841 0.660
Fe 0.015 0.661 0.324
Fe 0.924 0.342 0.673
Fe 0.037 0.014 0.010
O 0.211 0.699 0.097
O 0.307 0.210 0.124
O 0.692 0.127 0.550
O 0.786 0.288 0.908
O 0.800 0.642 0.551
F 0.776 0.960 0.233
F 0.704 0.784 0.906
F 0.714 0.443 0.246
F 0.285 0.... |
Below is a description of a material. | The chemical formula is: TeMoSe.
The XRD pattern shows main peaks at: 6.4°(0.1), 12.8°(0.38), 25.7°(0.09), 29.9°(0.39), 35.8°(1.0), 44.6°(0.43), 53.2°(0.31), 65.8°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-93520 | 3.45 3.45 13.86
89 90 119
Te 0.333 0.667 0.685
Te 0.333 0.667 0.417
Mo 0.333 0.666 0.051
Mo 0.667 0.334 0.551
Se 0.667 0.333 0.933
Se 0.667 0.333 0.169 |
Below is a description of a material. | The chemical formula is: ThUO4.
The XRD pattern shows main peaks at: 27.9°(1.0), 32.4°(0.37), 46.4°(0.5), 55.1°(0.45), 57.7°(0.11), 67.8°(0.07), 74.8°(0.2), 77.1°(0.13), 86.1°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-93473 | 3.91 3.91 5.54
89 89 90
Th 0.500 0.500 0.500
U 0.000 1.000 0.000
O 0.500 0.000 0.243
O 1.000 0.500 0.243
O 0.000 0.500 0.757
O 0.500 -0.000 0.757 |
Below is a description of a material. | The chemical formula is: Ti2MnHg.
The XRD pattern shows main peaks at: 12.7°(0.44), 25.6°(0.23), 29.5°(0.26), 32.3°(0.49), 38.8°(0.12), 39.5°(1.0), 42.3°(0.48), 44.3°(0.1), 50.0°(0.15), 52.5°(0.09), 58.7°(0.15), 61.4°(0.24), 67.5°(0.07), 69.6°(0.19), 71.0°(0.11), 75.0°(0.15), 75.4°(0.32), 84.9°(0.09).
Generate atomic s... | JVASP-190850 | 3.02 3.02 6.97
90 90 90
Mn 0.500 0.500 -0.000
Hg 0.500 0.500 0.500
Ti 0.000 0.000 0.798
Ti -0.000 -0.000 0.202 |
Below is a description of a material. | The chemical formula is: V2H.
The XRD pattern shows main peaks at: 40.9°(1.0), 43.5°(0.53), 55.1°(0.09), 63.1°(0.09), 72.7°(0.11), 78.0°(0.21), 88.6°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-51667 | 2.66 2.66 4.45
84 95 112
V 0.280 0.720 0.219
V 0.740 0.260 0.759
H 0.010 0.990 0.489 |
Below is a description of a material. | The chemical formula is: Ca.
The XRD pattern shows main peaks at: 29.0°(0.49), 29.4°(1.0), 41.4°(0.19), 42.6°(0.09), 51.6°(0.37), 52.3°(0.17), 60.0°(0.06), 60.9°(0.11), 68.0°(0.09), 83.0°(0.08), 83.6°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-79636 | 4.36 4.36 8.49
90 90 90
Ca 0.750 0.250 0.375
Ca 0.250 0.750 0.625
Ca 0.750 0.250 0.875
Ca 0.250 0.750 0.125 |
Below is a description of a material. | The chemical formula is: CaLaFeO4.
The XRD pattern shows main peaks at: 14.0°(0.35), 24.8°(0.36), 28.3°(0.09), 32.0°(1.0), 33.8°(0.62), 36.8°(0.16), 43.2°(0.25), 44.7°(0.24), 48.6°(0.36), 55.8°(0.19), 59.4°(0.33), 66.9°(0.18), 71.2°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates a... | JVASP-103118 | 6.84 6.84 6.84
148 148 45
Ca 0.641 0.641 0.000
La 0.354 0.354 0.000
Fe 0.006 0.006 0.000
O 0.825 0.825 0.000
O 0.172 0.172 -0.000
O 0.001 0.501 0.500
O 0.501 0.001 0.500 |
Below is a description of a material. | The chemical formula is: Ba3Li4As4.
The XRD pattern shows main peaks at: 11.2°(0.12), 19.6°(0.19), 20.9°(0.13), 24.6°(0.29), 25.3°(0.31), 31.0°(0.23), 31.7°(0.7), 32.1°(1.0), 38.0°(0.26), 41.2°(0.13), 42.6°(0.09), 45.9°(0.12), 47.5°(0.17), 48.3°(0.12), 49.8°(0.12), 54.7°(0.11), 57.4°(0.1), 62.4°(0.15), 65.0°(0.2), 72.5... | JVASP-151689 | 8.98 8.98 8.98
149 132 57
Ba 0.000 0.000 0.000
Ba 0.631 0.131 0.500
Ba 0.369 0.869 0.500
Li 0.630 0.323 0.306
Li 0.017 0.323 0.694
Li 0.983 0.677 0.306
Li 0.370 0.677 0.694
As 0.677 0.500 0.177
As 0.323 0.500 0.823
As 0.213 0.213 -0.000
As 0.787 0.787 0.000 |
Below is a description of a material. | The chemical formula is: H4C3O2.
The XRD pattern shows main peaks at: 23.2°(1.0), 26.5°(0.1), 28.9°(0.64), 35.1°(0.11), 41.8°(0.1), 43.3°(0.09), 45.7°(0.06), 47.9°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-103800 | 4.91 4.83 6.44
106 89 89
H 0.802 0.009 0.867
H 0.811 0.106 0.154
H 0.258 0.413 0.457
H 0.407 0.530 0.719
H 0.907 0.470 0.781
H 0.758 0.587 0.043
H 0.311 0.894 0.345
H 0.302 0.991 0.633
C 0.611 0.684 0.486
C 0.441 0.947 0.492
C 0.955 0.553 0.956
C 0.941 0.053 0.008
C 0.111 0.316 0.014
C 0.455 0.447 0.544
O 0.112 0.811 0... |
Below is a description of a material. | The chemical formula is: Na2PdS2.
The XRD pattern shows main peaks at: 16.3°(0.63), 19.0°(1.0), 27.7°(0.14), 30.2°(0.41), 31.2°(0.21), 35.7°(0.1), 36.4°(0.56), 37.2°(0.29), 38.6°(0.14), 40.0°(0.22), 42.7°(0.3), 44.3°(0.09), 48.7°(0.13), 49.9°(0.16), 51.1°(0.15), 51.8°(0.15), 54.0°(0.1), 55.0°(0.11), 57.5°(0.09), 60.5°(... | JVASP-10662 | 3.58 5.47 10.85
90 90 109
Na 0.432 0.865 0.876
Na 0.568 0.135 0.376
Na 0.827 0.654 0.588
Na 0.173 0.346 0.088
Pd 0.135 0.269 0.751
Pd 0.865 0.731 0.251
S 0.546 0.093 0.633
S 0.454 0.907 0.133
S 0.721 0.442 0.872
S 0.279 0.558 0.372 |
Below is a description of a material. | The chemical formula is: BeRh.
The XRD pattern shows main peaks at: 32.2°(1.0), 46.1°(0.87), 57.4°(0.24), 67.3°(0.15), 76.6°(0.31), 85.5°(0.31).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-16459 | 2.78 2.78 2.78
90 90 90
Be 0.000 0.000 0.000
Rh 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: CaLaBe2.
The XRD pattern shows main peaks at: 17.5°(0.65), 24.8°(1.0), 25.4°(0.45), 31.0°(0.34), 35.3°(0.49), 35.8°(0.95), 39.7°(0.18), 44.0°(0.43), 47.7°(0.22), 50.8°(0.17), 52.1°(0.08), 57.4°(0.19), 58.5°(0.18), 63.7°(0.36), 64.5°(0.17), 67.4°(0.08), 75.8°(0.1), 81.2°(0.13), 85.5°(0.08), 87.7... | JVASP-67598 | 5.08 5.08 3.51
90 90 90
Ca 0.500 0.500 0.500
La 0.000 0.000 0.500
Be 0.500 0.000 0.000
Be 0.000 0.500 0.000 |
Below is a description of a material. | The chemical formula is: PrMn2Si2.
The XRD pattern shows main peaks at: 23.8°(0.47), 31.7°(0.09), 33.9°(0.81), 36.1°(1.0), 45.4°(0.38), 48.7°(0.21), 57.9°(0.43), 62.1°(0.21), 66.2°(0.13), 77.8°(0.2), 88.8°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-15573 | 3.99 3.99 5.99
109 109 89
Pr 0.000 0.000 0.000
Mn 0.250 0.750 0.500
Mn 0.750 0.250 0.500
Si 0.627 0.627 0.254
Si 0.373 0.373 0.746 |
Below is a description of a material. | The chemical formula is: Al5CuSe8.
The XRD pattern shows main peaks at: 27.9°(0.06), 29.2°(1.0), 33.8°(0.84), 48.5°(0.94), 57.6°(0.44), 60.4°(0.18), 71.1°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-11598 | 7.50 7.50 7.50
60 60 60
Al 0.250 0.250 0.250
Al 0.104 0.632 0.632
Al 0.632 0.632 0.104
Al 0.632 0.104 0.632
Al 0.632 0.632 0.632
Cu 0.000 0.000 0.000
Se 0.384 0.384 0.384
Se 0.384 0.849 0.384
Se 0.384 0.384 0.849
Se 0.849 0.384 0.384
Se 0.394 0.869 0.869
Se 0.869 0.869 0.394
Se 0.869 0.394 0.869
Se 0.869 0.869 0.869 |
Below is a description of a material. | The chemical formula is: NbFeF6.
The XRD pattern shows main peaks at: 20.8°(0.07), 23.4°(1.0), 31.9°(0.32), 34.8°(0.13), 39.7°(0.16), 42.4°(0.11), 47.9°(0.16), 52.1°(0.31), 55.0°(0.07), 56.0°(0.14), 60.6°(0.11), 62.4°(0.13), 66.7°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates an... | JVASP-150025 | 5.15 5.15 5.65
62 62 60
Nb 0.500 0.500 0.500
Fe 0.000 0.000 0.000
F 0.121 0.383 0.747
F 0.879 0.617 0.253
F 0.383 0.749 0.748
F 0.617 0.251 0.252
F 0.749 0.121 0.747
F 0.251 0.879 0.253 |
Below is a description of a material. | The chemical formula is: YErHg2.
The XRD pattern shows main peaks at: 24.2°(0.06), 34.4°(1.0), 49.5°(0.2), 61.7°(0.41), 72.6°(0.13), 82.9°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-37466 | 5.21 5.21 5.21
60 60 60
Y 0.750 0.750 0.750
Er 0.250 0.250 0.250
Hg 0.000 0.000 0.000
Hg 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: CeRh2.
The XRD pattern shows main peaks at: 33.5°(0.37), 39.5°(1.0), 41.4°(0.31), 59.9°(0.11), 64.0°(0.33), 70.5°(0.24), 83.9°(0.1), 85.1°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-19911 | 5.35 5.35 5.35
60 60 59
Ce 0.125 0.125 0.125
Ce 0.875 0.875 0.875
Rh 0.500 0.000 0.500
Rh 0.000 0.500 0.500
Rh 0.500 0.500 0.500
Rh 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: NbSCl2.
The XRD pattern shows main peaks at: 15.6°(0.79), 20.3°(1.0), 27.5°(0.39), 31.4°(0.12), 35.5°(0.9), 36.2°(0.39), 38.0°(0.35), 41.2°(0.13), 44.1°(0.1), 45.8°(0.24), 47.5°(0.17), 47.9°(0.19), 53.0°(0.5), 54.2°(0.13), 58.5°(0.1), 62.7°(0.17), 68.1°(0.12), 75.2°(0.09), 81.1°(0.11), 87.5°(0.... | JVASP-138635 | 6.40 6.40 6.40
149 136 54
Nb 0.000 0.000 0.000
S 0.500 0.000 0.500
Cl 0.162 0.662 0.500
Cl 0.838 0.338 0.500 |
Below is a description of a material. | The chemical formula is: TlHPd3.
The XRD pattern shows main peaks at: 21.5°(0.09), 30.6°(0.08), 37.8°(1.0), 43.9°(0.53), 63.8°(0.35), 76.6°(0.4), 80.7°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-92563 | 4.13 4.13 4.13
90 90 90
Tl 0.000 0.000 0.000
H 0.500 0.500 0.500
Pd 0.000 0.500 0.500
Pd 0.500 0.500 0.000
Pd 0.500 0.000 0.500 |
Below is a description of a material. | The chemical formula is: YbCa3.
The XRD pattern shows main peaks at: 16.3°(0.45), 23.2°(0.44), 28.5°(1.0), 33.0°(0.49), 37.1°(0.25), 40.7°(0.2), 47.4°(0.36), 50.5°(0.14), 53.4°(0.1), 56.2°(0.39), 59.0°(0.12), 61.6°(0.06), 64.2°(0.11), 69.3°(0.05), 71.7°(0.08), 74.2°(0.05), 76.5°(0.15), 78.9°(0.15), 81.3°(0.06), 88.2°(0... | JVASP-129910 | 5.42 5.42 5.42
90 90 90
Yb 0.000 0.000 0.000
Ca 0.000 0.500 0.500
Ca 0.500 0.000 0.500
Ca 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: TiN.
The XRD pattern shows main peaks at: 10.4°(0.74), 16.8°(1.0), 19.8°(0.74), 21.0°(0.11), 23.8°(0.45), 26.0°(0.35), 27.0°(0.24), 31.9°(0.17), 33.9°(0.17), 35.5°(0.14), 36.1°(0.26), 38.0°(0.23), 39.5°(0.21), 40.0°(0.21), 43.8°(0.12), 46.2°(0.09), 47.1°(0.11), 50.3°(0.18), 58.5°(0.08), 59.3°(0... | JVASP-116349 | 5.29 5.29 8.47
90 90 90
Ti 0.000 0.000 0.231
N 0.000 0.000 -0.077 |
Below is a description of a material. | The chemical formula is: Li3Br.
The XRD pattern shows main peaks at: 13.5°(1.0), 26.5°(0.39), 27.1°(0.2), 27.7°(0.59), 28.6°(0.22), 31.7°(0.23), 33.2°(0.1), 34.9°(0.28), 41.3°(0.21), 42.8°(0.08), 45.6°(0.17), 47.5°(0.22), 49.3°(0.07), 49.8°(0.07), 53.4°(0.07), 54.5°(0.07), 58.7°(0.06).
Generate atomic structure descrip... | JVASP-139308 | 3.83 3.84 6.99
72 89 62
Li 0.125 0.843 -0.080
Li 0.394 0.365 0.669
Li 0.573 0.006 0.205
Br 0.990 0.157 0.472 |
Below is a description of a material. | The chemical formula is: AlCu.
The XRD pattern shows main peaks at: 15.5°(0.24), 23.4°(0.3), 25.2°(0.17), 25.5°(0.12), 29.8°(0.2), 31.0°(0.06), 34.9°(0.07), 39.8°(0.13), 43.7°(0.32), 44.1°(0.38), 44.8°(1.0), 54.2°(0.07), 60.9°(0.07), 64.7°(0.2), 65.3°(0.11), 81.6°(0.12), 82.2°(0.09).
Generate atomic structure descripti... | JVASP-86371 | 4.10 6.42 6.41
65 71 71
Al 0.500 0.500 0.500
Al 0.845 0.461 0.849
Al 0.155 0.539 0.151
Al 0.622 0.996 0.760
Al 0.378 0.004 0.240
Cu 0.000 0.000 0.000
Cu 0.742 0.244 0.272
Cu 0.258 0.756 0.728
Cu 0.891 0.773 0.445
Cu 0.109 0.227 0.555 |
Below is a description of a material. | The chemical formula is: ThCu2Ge2.
The XRD pattern shows main peaks at: 17.3°(0.07), 22.9°(0.24), 30.2°(0.28), 33.8°(0.77), 35.0°(1.0), 43.2°(0.51), 49.5°(0.27), 56.0°(0.38), 62.7°(0.3), 67.7°(0.22), 73.9°(0.05), 89.6°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types... | JVASP-86479 | 4.19 4.19 5.92
110 110 90
Th 0.000 0.000 0.000
Cu 0.750 0.250 0.500
Cu 0.250 0.750 0.500
Ge 0.624 0.624 0.247
Ge 0.376 0.376 0.753 |
Below is a description of a material. | The chemical formula is: LaThCN.
The XRD pattern shows main peaks at: 14.4°(0.09), 29.0°(1.0), 33.6°(0.72), 48.2°(0.46), 57.2°(0.44), 60.0°(0.15), 70.6°(0.08), 80.4°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-104727 | 6.53 6.53 6.53
33 33 33
La 0.000 0.000 0.000
Th 0.501 0.501 0.501
C 0.756 0.756 0.756
N 0.243 0.243 0.243 |
Below is a description of a material. | The chemical formula is: HfMg.
The XRD pattern shows main peaks at: 20.5°(0.54), 26.0°(1.0), 32.0°(0.22), 35.9°(0.52), 38.3°(0.21), 41.7°(0.08), 44.8°(0.22), 48.8°(0.44), 53.4°(0.2), 58.7°(0.22), 64.5°(0.09), 66.1°(0.07), 73.8°(0.13), 78.2°(0.1), 84.9°(0.09).
Generate atomic structure description with lattice lengths, ... | JVASP-78864 | 5.01 5.01 5.60
90 90 120
Hf 0.333 0.667 0.063
Hf 0.667 0.333 0.563
Mg 0.333 0.667 0.562
Mg 0.667 0.333 0.062 |
Below is a description of a material. | The chemical formula is: Be2GePt.
The XRD pattern shows main peaks at: 17.4°(0.34), 28.7°(1.0), 33.8°(0.25), 35.2°(0.3), 41.1°(0.42), 44.9°(0.13), 46.0°(0.64), 55.2°(0.31), 59.5°(0.14), 62.3°(0.06), 67.3°(0.17), 70.1°(0.07), 71.0°(0.16), 78.3°(0.28), 81.6°(0.11), 88.7°(0.11).
Generate atomic structure description with ... | JVASP-71284 | 3.11 3.11 5.10
90 90 90
Be 0.000 0.000 0.736
Be 0.000 0.000 0.264
Ge 0.500 0.500 0.000
Pt 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Li4V3CrO8.
The XRD pattern shows main peaks at: 18.4°(1.0), 36.1°(0.39), 37.7°(0.1), 43.6°(0.88), 47.7°(0.14), 57.5°(0.14), 63.1°(0.25), 63.7°(0.22), 66.9°(0.12), 80.4°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-139897 | 5.12 5.05 5.84
90 106 99
Li 0.996 0.752 0.623
Li -0.005 0.247 0.872
Li 0.005 0.753 0.128
Li 0.004 0.248 0.377
V 0.500 0.501 0.759
V 0.500 -0.000 0.000
V 0.500 0.499 0.241
Cr 0.500 -0.000 0.500
O 0.731 0.875 0.805
O 0.269 0.126 0.690
O 0.742 0.371 0.061
O 0.258 0.629 0.939
O 0.731 0.874 0.310
O 0.269 0.125 0.195
O 0.723... |
Below is a description of a material. | The chemical formula is: Ba2NaPt.
The XRD pattern shows main peaks at: 19.1°(0.26), 31.4°(1.0), 37.0°(0.16), 45.0°(0.18), 49.3°(0.07), 55.9°(0.39), 59.6°(0.05), 65.5°(0.12), 68.9°(0.05), 74.5°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-178651 | 5.70 5.70 5.70
60 60 60
Ba 0.250 0.250 0.250
Ba 0.750 0.750 0.750
Na -0.000 0.000 0.000
Pt 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Pa3Al.
The XRD pattern shows main peaks at: 19.5°(0.23), 27.7°(0.2), 34.1°(1.0), 39.6°(0.51), 44.5°(0.12), 49.0°(0.09), 57.2°(0.33), 61.1°(0.06), 68.3°(0.39), 71.8°(0.12), 85.3°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-125660 | 4.55 4.55 4.55
90 90 90
Pa 0.000 0.500 0.000
Pa 0.500 0.000 0.000
Pa 0.500 0.500 0.500
Al 0.000 0.000 0.500 |
Below is a description of a material. | The chemical formula is: CeMo6S8.
The XRD pattern shows main peaks at: 13.6°(1.0), 19.1°(0.68), 19.5°(0.54), 23.3°(0.21), 23.9°(0.28), 31.0°(0.65), 33.9°(0.75), 40.9°(0.53), 42.0°(0.78), 43.8°(0.64), 44.3°(0.34), 46.4°(0.99), 47.5°(0.15), 60.5°(0.28), 63.5°(0.21), 71.8°(0.22).
Generate atomic structure description with... | JVASP-53096 | 6.50 6.50 6.50
88 88 88
Ce 0.000 0.000 0.000
Mo 0.438 0.775 0.580
Mo 0.580 0.438 0.775
Mo 0.775 0.580 0.438
Mo 0.225 0.420 0.562
Mo 0.420 0.562 0.225
Mo 0.562 0.225 0.420
S 0.246 0.629 0.874
S 0.629 0.874 0.246
S 0.759 0.759 0.759
S 0.874 0.246 0.629
S 0.126 0.754 0.371
S 0.241 0.241 0.241
S 0.371 0.126 0.754
S 0.754 0... |
Below is a description of a material. | The chemical formula is: Dy3Co2Si3.
The XRD pattern shows main peaks at: 23.4°(0.17), 24.3°(0.32), 26.1°(0.48), 26.8°(0.21), 34.6°(0.78), 35.4°(1.0), 36.5°(0.15), 37.3°(0.25), 39.5°(0.39), 40.0°(0.2), 43.4°(0.12), 44.3°(0.36), 52.1°(0.14), 57.8°(0.09), 59.3°(0.12), 59.9°(0.11), 61.2°(0.11), 67.1°(0.15), 75.7°(0.1), 77.... | JVASP-122129 | 5.58 5.58 13.61
90 90 137
Dy 0.639 0.361 0.250
Dy 0.361 0.639 0.750
Dy 0.919 0.081 0.112
Dy 0.081 0.919 0.888
Dy 0.081 0.919 0.612
Dy 0.919 0.081 0.388
Co 0.786 0.214 0.582
Co 0.214 0.786 0.418
Co 0.214 0.786 0.082
Co 0.786 0.214 0.918
Si 0.332 0.668 0.250
Si 0.668 0.332 0.750
Si 0.622 0.378 0.040
Si 0.378 0.622 0.960
... |
Below is a description of a material. | The chemical formula is: CaGaH.
The XRD pattern shows main peaks at: 21.1°(1.0), 27.2°(0.64), 34.7°(0.54), 37.0°(0.8), 43.0°(0.14), 46.5°(0.84), 51.6°(0.18), 56.1°(0.08), 57.9°(0.12), 60.6°(0.11), 65.1°(0.16), 66.6°(0.13), 69.1°(0.24), 73.4°(0.19), 78.7°(0.05), 85.1°(0.13).
Generate atomic structure description with la... | JVASP-117972 | 4.86 4.86 3.28
90 90 120
Ca 0.000 0.000 0.000
Ga 0.333 0.667 0.000
H 0.667 0.333 0.000 |
Below is a description of a material. | The chemical formula is: Ba2TiCr.
The XRD pattern shows main peaks at: 23.2°(0.24), 33.1°(1.0), 40.8°(0.08), 47.5°(0.17), 53.5°(0.11), 59.1°(0.35), 69.4°(0.11), 74.3°(0.05), 79.0°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-66313 | 5.42 5.42 5.42
60 60 60
Ba 0.750 0.750 0.750
Ba 0.250 0.250 0.250
Ti 0.500 0.500 0.500
Cr 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: LiScAu2.
The XRD pattern shows main peaks at: 27.2°(0.79), 38.9°(1.0), 48.1°(0.24), 56.1°(0.17), 63.5°(0.31), 70.4°(0.36), 83.4°(0.12), 89.8°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-79860 | 4.63 4.63 4.63
60 59 59
Li 0.250 0.250 0.250
Sc 0.750 0.750 0.750
Au 0.500 0.500 0.500
Au -0.000 0.000 1.000 |
Below is a description of a material. | The chemical formula is: NaSbO.
The XRD pattern shows main peaks at: 22.1°(1.0), 28.2°(0.5), 36.1°(0.59), 38.8°(0.61), 45.1°(0.15), 48.7°(0.6), 54.1°(0.18), 58.3°(0.06), 63.1°(0.12), 68.5°(0.17), 70.3°(0.1), 72.3°(0.17), 77.4°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and at... | JVASP-114366 | 4.64 4.64 3.17
90 90 120
Na 0.000 0.000 0.000
Sb 0.667 0.333 0.000
O 0.333 0.667 0.000 |
Below is a description of a material. | The chemical formula is: Mn2SbAs.
The XRD pattern shows main peaks at: 31.3°(1.0), 42.0°(0.63), 47.6°(0.45), 56.1°(0.18), 58.1°(0.15), 65.3°(0.16), 76.6°(0.07), 78.2°(0.13), 84.7°(0.15), 85.4°(0.14), 88.6°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-104946 | 3.82 3.82 5.66
90 90 120
Mn 0.000 0.000 0.229
Mn 0.000 0.000 0.771
Sb 0.333 0.667 0.500
As 0.667 0.333 0.000 |
Below is a description of a material. | The chemical formula is: Ag3SI.
The XRD pattern shows main peaks at: 18.1°(0.19), 25.8°(0.48), 31.6°(1.0), 36.7°(0.85), 41.2°(0.53), 45.4°(0.57), 52.7°(0.26), 56.4°(0.21), 59.7°(0.17), 62.7°(0.16), 65.7°(0.07), 68.9°(0.1), 69.3°(0.12), 72.3°(0.3), 81.0°(0.23), 83.8°(0.09), 86.2°(0.07).
Generate atomic structure descrip... | JVASP-8571 | 4.90 4.90 4.90
89 89 89
Ag 0.036 0.517 0.381
Ag 0.381 0.036 0.517
Ag 0.517 0.381 0.036
S 0.541 0.541 0.541
I 0.988 0.988 0.988 |
Below is a description of a material. | The chemical formula is: CoP3.
The XRD pattern shows main peaks at: 22.9°(0.82), 32.6°(0.58), 36.6°(0.85), 40.2°(0.28), 46.8°(0.06), 52.7°(1.0), 58.2°(0.59), 77.8°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-9109 | 6.73 6.73 6.73
109 109 109
Co 0.500 0.000 -0.000
Co 0.000 0.000 0.500
Co 0.000 0.500 -0.000
Co 0.500 0.500 0.500
P 0.507 0.854 0.653
P 0.202 0.854 0.347
P 0.798 0.146 0.653
P 0.146 0.347 0.493
P 0.493 0.146 0.347
P 0.146 0.653 0.798
P 0.347 0.202 0.854
P 0.854 0.653 0.507
P 0.653 0.798 0.146
P 0.854 0.347 0.202
P 0.653... |
Below is a description of a material. | The chemical formula is: Mn2MoPt.
The XRD pattern shows main peaks at: 25.3°(0.14), 29.3°(0.26), 41.9°(1.0), 49.5°(0.08), 51.9°(0.08), 60.7°(0.18), 68.8°(0.11), 76.4°(0.35).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-156778 | 4.32 4.32 4.32
60 60 60
Mn 0.500 0.500 0.500
Mn 0.000 0.000 0.000
Mo 0.250 0.250 0.250
Pt 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: V2CrMo.
The XRD pattern shows main peaks at: 25.8°(0.09), 29.9°(0.06), 42.8°(1.0), 62.1°(0.16), 78.3°(0.32).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-191964 | 4.23 4.23 4.23
60 60 60
Cr 0.000 -0.000 0.000
Mo 0.500 0.500 0.500
V 0.250 0.250 0.250
V 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: Ca2MgPd2.
The XRD pattern shows main peaks at: 20.1°(0.57), 22.9°(0.75), 30.1°(0.07), 32.7°(0.3), 36.5°(0.54), 37.0°(0.53), 38.2°(1.0), 40.9°(0.22), 41.8°(0.29), 46.8°(0.12), 48.4°(0.22), 51.6°(0.08), 56.7°(0.29), 59.9°(0.13), 62.6°(0.08), 65.2°(0.29), 73.2°(0.07), 73.9°(0.13), 75.0°(0.1), 78.1... | JVASP-92523 | 4.32 5.74 5.74
62 67 67
Ca 0.800 0.700 0.700
Ca 0.200 0.300 0.300
Mg 0.000 0.000 0.000
Pd 0.500 0.265 0.735
Pd 0.500 0.735 0.265 |
Below is a description of a material. | The chemical formula is: MgAu2.
The XRD pattern shows main peaks at: 19.8°(0.18), 27.6°(0.47), 36.7°(0.72), 39.8°(1.0), 42.0°(0.1), 52.7°(0.12), 55.6°(0.12), 62.0°(0.07), 68.2°(0.29), 74.3°(0.17), 78.1°(0.08), 85.8°(0.07), 89.3°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and ... | JVASP-169722 | 3.47 5.11 6.90
70 90 109
Mg 0.694 0.389 0.111
Mg 0.694 0.389 0.611
Au 0.354 0.708 0.281
Au 0.035 0.070 0.441
Au 0.354 0.708 0.781
Au 0.035 0.070 0.941 |
Below is a description of a material. | The chemical formula is: CaHg2.
The XRD pattern shows main peaks at: 20.6°(0.47), 25.2°(0.48), 32.7°(0.79), 36.0°(1.0), 41.8°(0.06), 44.4°(0.71), 49.4°(0.23), 51.6°(0.12), 62.7°(0.23), 64.6°(0.4), 70.6°(0.19), 76.4°(0.12), 81.9°(0.13), 85.6°(0.11), 87.3°(0.17).
Generate atomic structure description with lattice lengths... | JVASP-16466 | 4.99 4.99 3.54
90 90 120
Ca 0.000 0.000 0.000
Hg 0.333 0.667 0.500
Hg 0.667 0.333 0.500 |
Below is a description of a material. | The chemical formula is: N.
The XRD pattern shows main peaks at: 23.9°(0.2), 28.6°(0.28), 31.1°(1.0), 37.6°(0.07), 50.7°(0.13), 56.8°(0.06), 60.6°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-25307 | 3.60 3.60 7.43
90 90 120
N 0.333 0.667 0.325
N 0.333 0.667 0.175
N 0.667 0.333 0.825
N 0.667 0.333 0.675 |
Below is a description of a material. | The chemical formula is: SmTm3.
The XRD pattern shows main peaks at: 31.5°(1.0), 36.5°(0.53), 52.6°(0.36), 62.6°(0.42), 65.7°(0.13), 77.6°(0.05), 86.1°(0.18), 88.9°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-37229 | 4.92 4.92 4.92
90 90 90
Sm 0.000 0.000 0.000
Tm 0.000 0.500 0.500
Tm 0.500 0.000 0.500
Tm 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: CdH2C3O4.
The XRD pattern shows main peaks at: 17.4°(0.68), 19.4°(0.62), 24.7°(1.0), 26.0°(0.81), 26.4°(0.14), 35.1°(0.79), 37.4°(0.33), 39.4°(0.2), 40.3°(0.08), 40.8°(0.09), 42.6°(0.11), 43.6°(0.13), 45.0°(0.16), 45.6°(0.27), 46.3°(0.12), 47.2°(0.27), 50.6°(0.29), 54.3°(0.05), 58.3°(0.23), 60.... | JVASP-103958 | 4.25 5.05 5.52
81 67 65
Cd 0.894 0.516 0.501
H 0.585 0.147 0.881
H 0.595 0.885 0.122
C 0.123 0.812 0.819
C 0.736 0.220 0.184
C 0.749 0.016 0.001
O 0.967 0.126 0.303
O 0.481 0.478 0.222
O 0.164 0.553 0.781
O 0.379 0.906 0.700 |
Below is a description of a material. | The chemical formula is: Be2BiW.
The XRD pattern shows main peaks at: 26.4°(1.0), 28.0°(0.88), 31.8°(0.64), 38.9°(0.83), 41.8°(0.69), 42.9°(0.65), 51.1°(0.71), 54.4°(0.17), 57.8°(0.14), 62.3°(0.2), 64.5°(0.21), 66.5°(0.09), 67.5°(0.16), 71.7°(0.28), 72.9°(0.13), 73.9°(0.27), 79.8°(0.23), 83.4°(0.1).
Generate atomic str... | JVASP-70979 | 4.25 4.25 3.37
90 90 97
Be 0.000 0.000 0.000
Be 0.500 0.500 0.000
Bi 0.500 -0.000 0.500
W -0.000 0.500 0.500 |
Below is a description of a material. | The chemical formula is: VHgO3.
The XRD pattern shows main peaks at: 10.4°(1.0), 20.8°(0.12), 21.7°(0.29), 27.3°(0.17), 28.7°(0.4), 29.5°(0.35), 31.5°(0.51), 34.5°(0.24), 35.1°(0.07), 36.0°(0.15), 36.5°(0.12), 37.6°(0.1), 38.5°(0.18), 40.3°(0.09), 42.3°(0.1), 44.7°(0.07), 45.7°(0.09), 46.2°(0.12), 51.8°(0.08), 56.3°(0.... | JVASP-102833 | 3.60 4.80 8.75
92 102 90
V 0.672 0.377 0.864
V 0.328 0.623 0.136
Hg 0.138 0.183 0.421
Hg 0.862 0.817 0.579
O 0.587 0.481 0.672
O 0.413 0.519 0.328
O 0.657 0.036 0.846
O 0.343 0.964 0.154
O 0.201 0.478 0.910
O 0.799 0.522 0.090 |
Below is a description of a material. | The chemical formula is: V2O3F3.
The XRD pattern shows main peaks at: 24.1°(1.0), 24.9°(0.45), 33.6°(0.09), 34.3°(0.15), 35.6°(0.09), 40.8°(0.16), 41.8°(0.08), 49.3°(0.15), 51.1°(0.08), 54.7°(0.1), 55.1°(0.08), 56.4°(0.11), 58.2°(0.06), 63.2°(0.07).
Generate atomic structure description with lattice lengths, angles, co... | JVASP-101772 | 5.13 5.25 5.05
91 120 60
V 0.977 0.988 0.021
V -0.001 0.463 0.521
O 0.088 0.265 0.833
O 0.911 0.252 0.248
O 0.916 0.753 0.149
F 0.499 0.253 0.637
F 0.109 0.756 0.743
F 0.502 0.771 0.348 |
Below is a description of a material. | The chemical formula is: CdBr2N2.
The XRD pattern shows main peaks at: 16.0°(0.65), 21.8°(1.0), 28.0°(0.35), 32.9°(0.94), 35.1°(0.17), 39.9°(0.79), 42.3°(0.19), 44.5°(0.19), 46.6°(0.17), 48.0°(0.17), 52.0°(0.19), 53.3°(0.18), 56.5°(0.32), 67.5°(0.1), 69.1°(0.14), 73.4°(0.14), 78.8°(0.14), 81.8°(0.11), 83.9°(0.1), 86.0°... | JVASP-92631 | 3.90 5.57 5.57
94 90 90
Cd 0.000 0.000 0.000
Br 0.500 0.749 0.749
Br 0.500 0.251 0.251
N 0.000 0.301 0.699
N 0.000 0.699 0.301 |
Below is a description of a material. | The chemical formula is: Zr2InC.
The XRD pattern shows main peaks at: 30.6°(0.22), 35.6°(1.0), 54.4°(0.2), 66.7°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-14086 | 3.37 3.37 15.03
90 90 120
Zr 0.333 0.667 0.917
Zr 0.333 0.667 0.583
Zr 0.667 0.333 0.417
Zr 0.667 0.333 0.083
In 0.333 0.667 0.250
In 0.667 0.333 0.750
C 0.000 0.000 0.000
C 0.000 0.000 0.500 |
Below is a description of a material. | The chemical formula is: Tm6ReO12.
The XRD pattern shows main peaks at: 29.2°(0.31), 29.9°(1.0), 34.4°(0.43), 49.0°(0.22), 49.9°(0.24), 58.1°(0.1), 58.9°(0.23), 59.3°(0.12), 62.1°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-10671 | 6.36 6.36 6.36
98 98 98
Tm 0.317 0.611 0.144
Tm 0.144 0.317 0.611
Tm 0.389 0.856 0.683
Tm 0.683 0.389 0.856
Tm 0.856 0.683 0.389
Tm 0.611 0.144 0.317
Re 0.000 0.000 0.000
O 0.923 0.700 0.037
O 0.700 0.037 0.923
O 0.589 0.430 0.177
O 0.300 0.963 0.077
O 0.037 0.923 0.700
O 0.823 0.411 0.570
O 0.570 0.823 0.411
O 0.411 0... |
Below is a description of a material. | The chemical formula is: Al2O3.
The XRD pattern shows main peaks at: 19.7°(0.75), 22.2°(0.28), 25.0°(0.13), 34.1°(0.4), 37.1°(0.39), 39.7°(0.17), 42.4°(1.0), 51.2°(0.23), 55.8°(0.85), 64.9°(0.11), 66.8°(0.54), 70.5°(0.09), 73.8°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and ... | JVASP-49866 | 4.85 5.30 4.85
117 60 117
Al 0.000 0.000 0.000
Al 0.500 0.500 0.500
Al 0.306 0.917 0.306
Al 0.694 0.083 0.694
O 0.279 0.775 0.604
O 0.396 0.225 0.108
O 0.108 0.225 0.721
O 0.892 0.775 0.279
O 0.604 0.775 0.892
O 0.721 0.225 0.396 |
Below is a description of a material. | The chemical formula is: NaInCl.
The XRD pattern shows main peaks at: 10.8°(0.8), 21.8°(0.2), 25.4°(1.0), 27.6°(0.37), 32.9°(0.24), 33.7°(0.27), 36.2°(0.4), 37.9°(0.17), 42.0°(0.49), 42.6°(0.15), 49.7°(0.29), 52.1°(0.14), 57.1°(0.06), 58.8°(0.19), 60.0°(0.09), 63.0°(0.14), 63.5°(0.08), 69.0°(0.2), 76.6°(0.06), 86.0°(0.... | JVASP-138578 | 3.51 3.51 8.16
90 90 90
Na 0.000 0.000 0.691
In 0.000 0.000 0.309
Cl 0.000 0.000 -0.002 |
Below is a description of a material. | The chemical formula is: SmSb.
The XRD pattern shows main peaks at: 28.3°(1.0), 40.5°(0.78), 50.1°(0.25), 58.6°(0.13), 66.3°(0.34), 73.6°(0.25).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-20746 | 4.46 4.46 4.46
60 60 60
Sm 0.500 0.500 0.500
Sb 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Co3Ni.
The XRD pattern shows main peaks at: 44.7°(1.0), 52.1°(0.46), 76.8°(0.26).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-11947 | 3.51 3.51 3.51
90 90 90
Co 0.500 0.500 0.000
Co 0.500 0.000 0.500
Co 0.000 0.500 0.500
Ni 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: TlPdCl.
The XRD pattern shows main peaks at: 20.4°(0.66), 27.2°(0.69), 34.2°(0.36), 35.7°(1.0), 41.5°(0.11), 45.5°(0.94), 50.3°(0.14), 56.1°(0.09), 64.2°(0.16), 68.3°(0.29), 71.0°(0.26), 75.6°(0.1), 82.1°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-114802 | 5.03 5.03 3.28
90 90 120
Tl 0.667 0.333 0.000
Pd 0.333 0.667 0.000
Cl 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Hf2MgBe.
The XRD pattern shows main peaks at: 26.3°(0.5), 27.4°(0.9), 38.3°(1.0), 39.1°(0.51), 47.8°(0.38), 54.2°(0.09), 56.5°(0.18), 61.7°(0.18), 63.4°(0.17), 63.9°(0.17), 68.8°(0.2), 70.4°(0.34), 82.1°(0.12), 84.1°(0.05), 88.6°(0.13).
Generate atomic structure description with lattice lengths... | JVASP-74227 | 4.61 4.61 3.39
90 90 90
Hf 0.500 0.000 0.000
Hf 0.000 0.500 0.000
Mg 0.500 0.500 0.500
Be 0.000 0.000 0.500 |
Below is a description of a material. | The chemical formula is: NaZr2PdF11.
The XRD pattern shows main peaks at: 12.5°(0.06), 16.7°(0.13), 17.9°(0.23), 21.2°(0.81), 23.5°(0.1), 26.0°(1.0), 33.7°(0.2), 43.2°(0.22), 45.8°(0.31), 46.6°(0.06), 50.9°(0.29), 51.4°(0.16), 53.5°(0.1), 64.5°(0.13), 65.0°(0.09), 70.9°(0.06).
Generate atomic structure description with... | JVASP-152903 | 5.78 5.78 7.89
69 69 72
Na 0.000 0.000 0.000
Zr 0.500 0.500 0.231
Zr 0.500 0.500 0.769
Pd 0.000 -0.000 0.500
F 0.500 0.500 0.500
F 0.259 0.258 0.346
F 0.741 0.742 0.654
F 0.197 0.781 0.299
F 0.803 0.219 0.701
F 0.219 0.803 0.702
F 0.781 0.197 0.298
F 0.736 0.736 0.109
F 0.264 0.264 0.891
F 0.331 0.669 0.000
F 0.669 0.3... |
Below is a description of a material. | The chemical formula is: V2Cr2Fe.
The XRD pattern shows main peaks at: 44.4°(1.0), 64.4°(0.06), 82.2°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-106702 | 10.40 10.31 2.49
85 80 13
V 0.797 0.797 0.203
V 0.404 0.404 0.596
Cr 0.599 0.599 0.401
Cr 0.195 0.195 0.805
Fe 0.004 0.004 0.996 |
Below is a description of a material. | The chemical formula is: LiMgP.
The XRD pattern shows main peaks at: 19.1°(1.0), 23.5°(0.26), 30.5°(0.24), 38.7°(0.15), 41.3°(0.32), 45.9°(0.56), 57.9°(0.25), 75.1°(0.11), 78.6°(0.1), 88.1°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-139341 | 4.37 4.37 4.65
90 90 120
Li 0.000 0.000 0.000
Mg 0.333 0.667 0.000
P 0.667 0.333 0.000 |
Below is a description of a material. | The chemical formula is: MoH2O4.
The XRD pattern shows main peaks at: 13.1°(0.22), 15.1°(0.48), 16.1°(1.0), 23.4°(0.16), 26.4°(0.34), 28.0°(0.48), 28.6°(0.24), 31.7°(0.13), 32.6°(0.09), 33.2°(0.08), 35.2°(0.13), 37.4°(0.07), 40.1°(0.16), 44.6°(0.16), 45.2°(0.1), 49.7°(0.08), 50.5°(0.08), 53.5°(0.08), 55.5°(0.07), 60.3°... | JVASP-51002 | 3.70 6.43 7.25
68 84 77
Mo 0.224 0.154 0.793
Mo 0.776 0.846 0.207
H 0.522 0.766 0.678
H 0.221 0.669 0.839
H 0.779 0.331 0.161
H 0.478 0.234 0.322
O 0.253 0.247 0.540
O 0.747 0.753 0.460
O 0.253 0.935 0.131
O 0.747 0.065 0.869
O 0.115 0.403 0.841
O 0.885 0.597 0.159
O 0.364 0.792 0.789
O 0.636 0.208 0.211 |
Below is a description of a material. | The chemical formula is: CO2.
The XRD pattern shows main peaks at: 28.2°(0.26), 29.5°(1.0), 35.8°(0.74), 44.1°(0.21), 45.3°(0.2), 58.3°(0.05), 65.1°(0.09), 80.9°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-152488 | 4.48 4.48 8.21
90 90 90
C 0.500 0.500 0.000
C 0.500 0.500 0.500
C 0.000 -0.000 0.250
C -0.000 0.000 0.750
O 0.185 0.185 0.250
O 0.815 0.815 0.750
O 0.315 0.685 0.500
O 0.685 0.315 0.000
O 0.315 0.685 -0.000
O 0.685 0.315 0.500
O 0.185 0.185 0.750
O 0.815 0.815 0.250 |
Below is a description of a material. | The chemical formula is: NaSmF4.
The XRD pattern shows main peaks at: 14.8°(0.26), 16.9°(0.88), 19.0°(0.13), 29.5°(0.69), 29.9°(1.0), 34.2°(0.13), 42.5°(0.78), 50.0°(0.13), 52.6°(0.58).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-116669 | 6.06 7.05 7.06
62 64 64
Na 0.666 0.484 0.167
Na 0.664 0.005 0.680
Na 0.330 0.428 0.908
Sm 0.003 1.000 0.998
Sm 0.998 0.499 0.503
Sm 0.336 0.921 0.409
F 0.976 0.888 0.384
F 0.981 0.382 0.882
F 0.277 0.130 0.624
F 0.257 0.626 0.129
F 0.047 0.819 0.771
F 0.595 0.166 0.198
F 0.592 0.708 0.659
F 0.755 0.735 0.232
F 0.365 0.... |
Below is a description of a material. | The chemical formula is: LiPH2.
The XRD pattern shows main peaks at: 22.7°(0.58), 26.1°(0.64), 34.9°(1.0), 37.3°(0.39), 44.1°(0.22), 46.3°(0.12), 53.8°(0.24), 59.1°(0.12), 60.8°(0.23), 65.7°(0.32), 73.6°(0.12), 78.3°(0.09), 79.6°(0.13), 84.0°(0.05).
Generate atomic structure description with lattice lengths, angles, co... | JVASP-116133 | 3.41 3.41 3.93
90 90 90
Li 0.000 0.000 0.000
P 0.500 0.500 0.500
H 0.500 0.000 0.500
H 0.000 0.500 0.500 |
Below is a description of a material. | The chemical formula is: LiAgO2.
The XRD pattern shows main peaks at: 19.1°(1.0), 29.6°(0.64), 33.9°(0.49), 36.4°(0.19), 37.0°(0.56), 38.7°(0.09), 42.1°(0.12), 47.1°(0.17), 47.9°(0.15), 49.6°(0.06), 51.8°(0.12), 53.6°(0.11), 56.9°(0.09), 58.2°(0.09), 58.8°(0.13), 61.5°(0.12), 63.1°(0.07), 64.7°(0.16), 66.4°(0.06), 67.0... | JVASP-36756 | 4.71 3.67 5.34
90 99 90
Li 0.500 0.000 0.500
Li 0.500 0.500 -0.000
Ag 0.000 0.000 0.000
Ag 0.000 0.500 0.500
O 0.249 0.319 0.253
O 0.751 0.681 0.747
O 0.249 0.181 0.753
O 0.751 0.819 0.247 |
Below is a description of a material. | The chemical formula is: La2TlIn.
The XRD pattern shows main peaks at: 32.0°(1.0), 45.9°(0.18), 57.0°(0.39), 66.9°(0.12), 76.1°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-157185 | 5.60 5.60 5.60
60 60 60
La 0.000 0.000 0.000
La 0.500 0.500 0.500
Tl 0.750 0.750 0.750
In 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: CoNi3.
The XRD pattern shows main peaks at: 44.6°(1.0), 52.0°(0.45), 76.6°(0.26).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-100159 | 3.52 3.52 3.52
90 90 90
Co 0.000 0.000 0.000
Ni 0.000 0.500 0.500
Ni 0.500 0.000 0.500
Ni 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: PdN.
The XRD pattern shows main peaks at: 35.1°(1.0), 40.8°(0.9), 59.1°(0.56), 70.6°(0.42), 74.3°(0.19), 88.4°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-36356 | 3.13 3.13 3.13
60 60 60
Pd 0.000 0.000 0.000
N 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: TaPO5.
The XRD pattern shows main peaks at: 19.3°(0.57), 26.1°(1.0), 27.5°(0.68), 29.6°(0.07), 38.3°(0.32), 39.2°(0.16), 44.1°(0.24), 45.2°(0.08), 47.7°(0.27), 49.6°(0.21), 53.7°(0.11), 55.9°(0.19), 56.7°(0.11), 60.5°(0.06), 63.4°(0.13), 64.1°(0.1), 65.0°(0.25), 77.2°(0.14), 78.6°(0.09), 81.9°(... | JVASP-11407 | 6.50 6.50 4.01
90 90 90
Ta 0.000 0.500 0.234
Ta 0.500 0.000 0.766
P 0.500 0.500 0.500
P 0.000 0.000 0.500
O 0.694 0.501 0.281
O 0.001 0.806 0.281
O 0.500 0.000 0.225
O 0.000 0.500 0.775
O 0.999 0.194 0.281
O 0.306 0.499 0.281
O 0.194 0.001 0.719
O 0.501 0.306 0.719
O 0.499 0.694 0.719
O 0.806 0.999 0.719 |
Below is a description of a material. | The chemical formula is: Rb3BiF6.
The XRD pattern shows main peaks at: 13.8°(1.0), 15.5°(0.11), 26.0°(0.21), 27.8°(0.28), 31.2°(0.24), 34.3°(0.19), 35.7°(0.13), 42.3°(0.22), 47.0°(0.08), 57.5°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-106857 | 7.19 7.19 7.19
105 105 105
Rb 0.000 0.500 0.000
Rb 0.500 0.000 -0.000
Rb 0.000 -0.000 0.500
Bi 0.000 0.000 0.000
F 0.057 0.762 0.762
F 0.943 0.238 0.238
F 0.762 0.762 0.057
F 0.238 0.238 0.943
F 0.761 0.058 0.761
F 0.239 0.942 0.239 |
Below is a description of a material. | The chemical formula is: NaEuS2.
The XRD pattern shows main peaks at: 13.4°(0.8), 25.9°(0.45), 27.1°(0.35), 31.3°(1.0), 34.2°(0.19), 41.0°(0.2), 44.9°(0.62), 47.1°(0.2), 53.2°(0.16), 55.8°(0.2), 62.5°(0.07), 65.4°(0.12), 74.3°(0.21), 82.9°(0.15).
Generate atomic structure description with lattice lengths, angles, coord... | JVASP-85135 | 4.03 4.03 7.01
73 73 60
Na 0.500 0.500 0.500
Eu 0.000 0.000 0.000
S 0.256 0.256 0.233
S 0.744 0.744 0.767 |
Below is a description of a material. | The chemical formula is: SrCaHg2.
The XRD pattern shows main peaks at: 23.0°(0.31), 32.7°(1.0), 40.4°(0.1), 47.0°(0.18), 52.9°(0.15), 58.4°(0.39), 68.6°(0.12), 73.4°(0.07), 78.1°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-191433 | 5.47 5.47 5.47
60 60 60
Sr 0.500 0.500 0.500
Ca 0.000 -0.000 -0.000
Hg 0.250 0.250 0.250
Hg 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: RbP.
The XRD pattern shows main peaks at: 22.2°(0.39), 25.7°(1.0), 36.7°(0.7), 45.3°(0.26), 52.8°(0.12), 59.6°(0.31), 66.0°(0.24).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-78402 | 4.90 4.90 4.90
60 60 60
Rb 0.000 0.000 0.000
P 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Li2TiMnO4.
The XRD pattern shows main peaks at: 18.1°(1.0), 36.6°(0.27), 37.5°(0.13), 38.1°(0.07), 44.0°(0.56), 44.6°(0.27), 47.8°(0.1), 57.5°(0.09), 62.7°(0.16), 63.7°(0.07), 64.2°(0.08), 66.1°(0.13), 81.6°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates ... | JVASP-44707 | 5.17 2.90 4.85
90 108 90
Li 0.000 0.000 0.000
Li -0.000 0.500 0.500
Ti 0.500 0.000 0.500
Mn 0.500 0.500 -0.000
O 0.734 0.000 0.236
O 0.738 0.500 0.742
O 0.266 0.000 0.764
O 0.262 0.500 0.258 |
Below is a description of a material. | The chemical formula is: RbS3Cl.
The XRD pattern shows main peaks at: 14.8°(0.36), 19.0°(0.69), 21.0°(0.17), 22.9°(1.0), 25.9°(0.56), 29.9°(0.43), 31.2°(0.52), 33.4°(0.78), 37.3°(0.6), 37.9°(0.27), 38.5°(0.15), 39.6°(0.38), 40.3°(0.18), 42.7°(0.17), 43.9°(0.21), 50.8°(0.16), 51.6°(0.19), 57.4°(0.16), 58.0°(0.16), 60.5°... | JVASP-114810 | 5.51 6.17 5.51
77 57 77
Rb 0.235 0.753 0.235
S -0.074 0.266 0.532
S 0.891 0.034 0.891
S 0.532 0.266 -0.074
Cl 0.541 -0.193 0.541 |
Below is a description of a material. | The chemical formula is: K2BaFe.
The XRD pattern shows main peaks at: 11.9°(0.09), 16.2°(0.21), 20.2°(0.22), 23.7°(0.17), 26.2°(1.0), 29.0°(0.73), 31.6°(0.54), 32.8°(0.26), 35.7°(0.17), 40.9°(0.11), 41.5°(0.13), 45.1°(0.09), 46.2°(0.38), 51.4°(0.27), 53.9°(0.12), 54.7°(0.12), 56.2°(0.24), 72.3°(0.09), 77.7°(0.08), 79.0... | JVASP-69361 | 4.36 5.45 7.47
90 90 90
K 0.000 0.000 0.711
K 0.000 0.000 0.289
Ba 0.500 0.500 0.000
Fe 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: SmGe3Ir.
The XRD pattern shows main peaks at: 17.6°(0.07), 21.9°(0.4), 28.5°(0.47), 33.5°(1.0), 35.6°(0.08), 40.7°(0.81), 46.2°(0.34), 46.7°(0.11), 49.6°(0.22), 53.7°(0.51), 55.2°(0.09), 59.0°(0.26), 62.7°(0.21), 66.1°(0.18), 66.8°(0.08), 69.6°(0.25), 78.0°(0.15), 83.8°(0.15), 88.2°(0.09), 89.3... | JVASP-162989 | 5.94 5.94 5.94
136 136 63
Ge 0.413 0.413 -0.000
Ge 0.756 0.256 0.500
Ge 0.256 0.756 0.500
Ir 0.650 0.650 0.000
Sm 0.990 0.990 -0.000 |
Below is a description of a material. | The chemical formula is: LiMoN2.
The XRD pattern shows main peaks at: 16.7°(1.0), 33.8°(0.1), 36.2°(0.36), 37.5°(0.33), 42.5°(0.28), 46.0°(0.29), 54.4°(0.17), 59.2°(0.11), 64.2°(0.12), 66.8°(0.13), 69.9°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-190734 | 5.57 5.57 5.57
30 30 30
Mo 0.586 0.586 0.586
Li 0.413 0.413 0.413
N 0.842 0.842 0.842
N 0.997 0.997 0.997 |
Below is a description of a material. | The chemical formula is: SnH4N2F2.
The XRD pattern shows main peaks at: 17.2°(1.0), 18.3°(0.77), 21.4°(0.5), 28.4°(0.7), 32.6°(0.14), 34.5°(0.19), 35.4°(0.61), 36.4°(0.15), 37.8°(0.22), 43.5°(0.19), 45.6°(0.39), 48.2°(0.16), 49.5°(0.12), 51.1°(0.26), 52.2°(0.1), 57.2°(0.1), 59.2°(0.16), 62.5°(0.12), 63.1°(0.11), 67.2°(... | JVASP-33072 | 5.63 5.63 5.04
74 105 145
Sn 0.000 0.000 0.000
H 0.389 0.611 0.562
H 0.611 0.389 0.438
H 0.295 0.705 0.776
H 0.705 0.295 0.224
N 0.390 0.610 0.767
N 0.610 0.390 0.233
F 0.121 0.879 0.750
F 0.879 0.121 0.250 |
Below is a description of a material. | The chemical formula is: PrOF.
The XRD pattern shows main peaks at: 27.1°(1.0), 31.4°(0.28), 45.0°(0.56), 53.4°(0.47), 56.0°(0.08), 65.6°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-78629 | 4.03 4.03 4.03
60 60 60
Pr 0.000 0.000 0.000
O 0.250 0.250 0.250
F 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: Y2TeO2.
The XRD pattern shows main peaks at: 31.4°(1.0), 32.2°(0.38), 43.7°(0.08), 46.1°(0.19), 55.3°(0.23), 56.9°(0.35), 65.5°(0.09), 67.3°(0.06), 72.6°(0.08), 76.1°(0.07), 83.8°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-50266 | 6.80 6.80 6.80
146 146 48
Y 0.338 0.338 0.000
Y 0.662 0.662 -0.000
Te 0.000 0.000 0.000
O 0.750 0.250 0.500
O 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: Li6CuS4.
The XRD pattern shows main peaks at: 13.6°(0.44), 14.1°(1.0), 24.0°(0.37), 24.8°(0.17), 25.9°(0.23), 27.5°(0.87), 28.0°(0.71), 28.4°(0.3), 31.2°(0.13), 32.6°(0.22), 36.2°(0.32), 36.8°(0.15), 37.4°(0.14), 39.6°(0.85), 45.7°(0.39), 47.9°(0.26), 51.3°(0.22), 54.2°(0.4), 56.7°(0.13), 59.2°... | JVASP-40479 | 7.63 7.63 3.56
76 103 123
Li 0.409 0.173 0.118
Li 0.821 0.108 0.357
Li 0.394 0.767 0.313
Li 0.767 0.394 0.687
Li 0.108 0.821 0.643
Li 0.173 0.409 0.882
Cu 0.721 0.721 -0.000
S 0.030 0.030 0.000
S 0.512 0.017 0.748
S 0.017 0.512 0.252
S 0.529 0.529 0.500 |
Below is a description of a material. | The chemical formula is: Sr3SiO.
The XRD pattern shows main peaks at: 17.6°(0.2), 28.0°(0.08), 29.4°(0.29), 30.7°(1.0), 33.2°(0.09), 35.6°(0.6), 38.9°(0.1), 40.0°(0.1), 51.2°(0.28), 53.8°(0.2), 56.2°(0.07), 60.1°(0.09), 60.9°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and ato... | JVASP-59113 | 7.13 7.14 10.09
90 90 90
Sr 0.220 0.779 0.969
Sr 0.059 0.508 0.250
Sr 0.441 0.008 0.250
Sr 0.941 0.492 0.750
Sr 0.780 0.221 0.031
Sr 0.720 0.721 0.469
Sr 0.559 0.992 0.750
Sr 0.220 0.779 0.531
Sr 0.780 0.221 0.469
Sr 0.720 0.721 0.031
Sr 0.280 0.279 0.531
Sr 0.280 0.279 0.969
Si 0.005 0.022 0.750
Si 0.495 0.522 0.750
S... |
Below is a description of a material. | The chemical formula is: VW.
The XRD pattern shows main peaks at: 20.7°(0.46), 35.3°(0.25), 40.5°(0.25), 41.3°(1.0), 42.1°(0.22), 45.9°(0.11), 56.1°(0.14), 59.9°(0.18), 74.3°(0.16), 74.7°(0.08), 75.8°(0.08), 76.4°(0.15), 78.5°(0.06), 89.7°(0.11).
Generate atomic structure description with lattice lengths, angles, coord... | JVASP-176372 | 2.71 2.71 4.29
90 90 110
V -0.000 0.000 0.000
W 0.500 0.500 0.500 |
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