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: LaGe2Ir.
The XRD pattern shows main peaks at: 10.2°(0.63), 28.9°(1.0), 32.5°(0.72), 32.9°(0.81), 37.2°(0.43), 38.8°(0.26), 40.5°(0.54), 41.0°(0.51), 46.8°(0.39), 50.8°(0.15), 51.9°(0.23), 53.1°(0.43), 56.5°(0.28), 57.1°(0.07), 58.9°(0.34), 63.8°(0.14), 67.8°(0.21), 71.4°(0.07), 83.7°(0.11), 87.... | JVASP-158729 | 4.46 4.41 8.92
75 90 90
La 0.250 0.891 0.218
La 0.750 0.109 0.782
Ge 0.750 0.461 0.079
Ge 0.250 0.251 0.498
Ge 0.750 0.749 0.502
Ge 0.250 0.539 0.921
Ir 0.750 0.320 0.360
Ir 0.250 0.680 0.641 |
Below is a description of a material. | The chemical formula is: HfSc.
The XRD pattern shows main peaks at: 17.5°(0.42), 32.1°(0.45), 35.5°(0.23), 36.8°(1.0), 48.6°(0.29), 57.3°(0.17), 60.4°(0.11), 64.6°(0.2), 67.2°(0.06), 69.2°(0.19), 70.1°(0.15), 78.4°(0.07), 84.1°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and a... | JVASP-129583 | 3.22 3.22 5.06
90 90 120
Hf 0.667 0.333 0.750
Sc 0.333 0.667 0.250 |
Below is a description of a material. | The chemical formula is: Be2MoOs.
The XRD pattern shows main peaks at: 14.7°(1.0), 29.6°(0.09), 31.9°(0.08), 35.3°(0.87), 44.1°(0.7), 45.1°(0.16), 45.7°(0.36), 48.3°(0.21), 55.4°(0.07), 56.3°(0.06), 66.2°(0.19), 66.6°(0.11), 68.7°(0.07), 71.0°(0.07), 77.7°(0.18), 79.9°(0.09), 83.4°(0.23), 84.1°(0.1), 88.2°(0.1).
Genera... | JVASP-74839 | 2.81 2.81 6.03
90 90 90
Be 0.000 0.000 0.019
Be 0.500 0.500 0.204
Mo 0.000 0.000 0.487
Os 0.500 0.500 0.790 |
Below is a description of a material. | The chemical formula is: Ta3Ru2.
The XRD pattern shows main peaks at: 27.7°(0.06), 39.6°(0.53), 40.0°(1.0), 57.2°(0.19), 72.0°(0.35), 85.2°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-109145 | 3.22 3.22 15.80
90 90 90
Ta 0.000 0.000 0.895
Ta 0.000 0.000 0.105
Ta 0.000 0.000 0.305
Ta 0.000 0.000 0.500
Ta 0.000 0.000 0.695
Ta 0.500 0.500 0.000
Ru 0.500 0.500 0.209
Ru 0.500 0.500 0.403
Ru 0.500 0.500 0.597
Ru 0.500 0.500 0.791 |
Below is a description of a material. | The chemical formula is: BeCrGe.
The XRD pattern shows main peaks at: 14.7°(0.59), 29.7°(0.19), 38.5°(0.19), 41.5°(1.0), 45.2°(0.19), 49.4°(0.54), 60.9°(0.11), 69.7°(0.15), 75.2°(0.16), 77.6°(0.07), 84.5°(0.12), 87.1°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-67079 | 2.70 2.70 6.01
90 90 120
Be 0.000 0.000 0.015
Cr 0.333 0.667 0.319
Ge 0.667 0.333 0.667 |
Below is a description of a material. | The chemical formula is: AsS2.
The XRD pattern shows main peaks at: 19.6°(1.0), 20.0°(0.67), 29.3°(0.96), 32.6°(0.15), 33.3°(0.2), 35.5°(0.51), 37.2°(0.45), 39.8°(0.24), 40.6°(0.32), 44.4°(0.13), 44.9°(0.16), 48.1°(0.39), 50.2°(0.36), 50.9°(0.33), 55.5°(0.1), 59.2°(0.12), 60.8°(0.1), 64.0°(0.13), 69.5°(0.12), 73.5°(0.1... | JVASP-139730 | 5.06 3.05 5.41
90 116 90
As 0.672 0.000 0.150
S -0.325 0.000 -0.355
S 0.052 0.000 0.604 |
Below is a description of a material. | The chemical formula is: Ni5O4.
The XRD pattern shows main peaks at: 27.8°(0.6), 34.2°(1.0), 39.7°(0.77), 44.6°(0.71), 49.2°(0.49), 57.4°(0.95), 61.3°(0.33), 68.6°(0.2), 72.1°(0.07), 75.5°(0.1), 78.9°(0.27), 85.6°(0.08), 88.9°(0.26).
Generate atomic structure description with lattice lengths, angles, coordinates and at... | JVASP-90118 | 4.54 4.54 4.54
90 90 90
Ni 0.956 0.956 0.956
Ni 0.544 0.544 0.956
Ni 0.544 0.956 0.544
Ni 0.956 0.544 0.544
Ni 0.250 0.250 0.250
O 0.512 0.512 0.512
O 0.988 0.988 0.512
O 0.988 0.512 0.988
O 0.512 0.988 0.988 |
Below is a description of a material. | The chemical formula is: KNaNdNbO5.
The XRD pattern shows main peaks at: 10.7°(0.46), 18.7°(0.27), 24.3°(0.3), 30.7°(1.0), 36.5°(0.07), 38.0°(0.09), 39.3°(0.09), 43.6°(0.1), 44.4°(0.31), 45.4°(0.09), 51.3°(0.08), 54.5°(0.23), 55.0°(0.36), 60.8°(0.05), 64.0°(0.12), 64.6°(0.09), 73.3°(0.12), 81.2°(0.06), 89.4°(0.12).
Gen... | JVASP-85920 | 5.77 5.77 8.30
90 90 90
K 0.250 0.750 0.000
K 0.750 0.250 0.000
Na 0.250 0.250 0.758
Na 0.750 0.750 0.242
Nd 0.250 0.750 0.500
Nd 0.750 0.250 0.500
Nb 0.250 0.250 0.256
Nb 0.750 0.750 0.744
O 0.982 0.518 0.672
O 0.518 0.982 0.672
O 0.250 0.250 0.031
O 0.482 0.482 0.328
O 0.982 0.982 0.672
O 0.750 0.750 0.969
O 0.518 0.... |
Below is a description of a material. | The chemical formula is: CdAg.
The XRD pattern shows main peaks at: 36.3°(1.0), 37.4°(0.29), 42.5°(0.64), 60.8°(0.19), 62.4°(0.19), 72.9°(0.11), 73.7°(0.23), 75.1°(0.11), 77.0°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-106372 | 5.12 5.12 5.12
34 34 34
Cd 0.500 0.500 0.500
Ag 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: MgTiS3.
The XRD pattern shows main peaks at: 18.9°(0.82), 26.9°(0.3), 33.1°(0.42), 38.3°(1.0), 43.1°(0.31), 47.4°(0.12), 55.4°(0.63), 59.0°(0.13), 62.6°(0.05), 66.0°(0.16), 69.3°(0.21), 72.6°(0.06), 75.8°(0.05), 82.1°(0.1), 85.2°(0.07).
Generate atomic structure description with lattice lengths... | JVASP-137002 | 4.69 4.69 4.69
90 90 90
Mg 0.000 0.000 0.000
Ti 0.500 0.500 0.500
S 0.500 0.500 0.000
S 0.500 0.000 0.500
S 0.000 0.500 0.500 |
Below is a description of a material. | The chemical formula is: BaCaI4.
The XRD pattern shows main peaks at: 12.2°(0.09), 18.9°(0.41), 21.4°(0.1), 22.1°(0.33), 25.4°(0.39), 26.6°(0.54), 29.6°(0.24), 31.0°(1.0), 31.5°(0.63), 37.0°(0.17), 40.9°(0.09), 41.7°(0.21), 45.2°(0.16), 46.5°(0.32), 47.0°(0.15), 49.2°(0.12), 55.8°(0.2), 57.3°(0.13), 57.7°(0.09), 60.0°(... | JVASP-50540 | 8.03 10.07 8.03
66 90 113
Ba 0.875 0.250 0.375
Ba 0.125 0.750 0.625
Ca 0.625 0.750 0.125
Ca 0.375 0.250 0.875
I 0.080 0.056 0.225
I 0.275 0.556 0.024
I 0.781 0.556 0.420
I 0.524 0.944 0.281
I 0.476 0.056 0.719
I 0.219 0.444 0.580
I 0.725 0.444 0.976
I 0.920 0.944 0.775 |
Below is a description of a material. | The chemical formula is: CeSn6Ru4.
The XRD pattern shows main peaks at: 15.6°(0.1), 18.0°(0.1), 25.6°(0.13), 30.2°(0.69), 31.5°(0.49), 36.6°(0.34), 40.0°(1.0), 41.0°(0.57), 45.1°(0.11), 52.6°(0.25), 55.4°(0.17), 56.3°(0.21), 59.6°(0.11), 62.0°(0.25), 62.5°(0.11), 71.9°(0.25), 74.2°(0.11), 80.7°(0.14), 83.1°(0.08), 83.7... | JVASP-151653 | 6.96 6.96 6.96
120 120 89
Ce 0.000 0.000 0.000
Sn 0.878 0.532 0.000
Sn 0.532 0.878 -0.000
Sn 0.468 0.468 0.346
Sn 0.122 0.122 0.654
Sn -0.000 0.500 0.500
Sn 0.500 0.000 0.500
Ru 0.601 0.247 -0.000
Ru 0.247 0.601 0.000
Ru 0.753 0.753 0.355
Ru 0.399 0.399 0.645 |
Below is a description of a material. | The chemical formula is: K3AlH6.
The XRD pattern shows main peaks at: 29.2°(1.0), 30.9°(0.49), 39.2°(0.12), 44.3°(0.14), 50.7°(0.18), 53.9°(0.32), 60.6°(0.11), 65.0°(0.08), 72.2°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-5275 | 5.79 5.79 6.15
118 118 90
K 0.750 0.250 0.500
K 0.250 0.750 0.500
K 0.500 0.500 0.000
Al 0.000 0.000 0.000
H 0.702 0.000 0.000
H 0.000 0.702 0.000
H -0.000 0.298 -0.000
H 0.298 -0.000 -0.000
H 0.212 0.212 0.423
H 0.788 0.788 0.577 |
Below is a description of a material. | The chemical formula is: Ba3NiO4.
The XRD pattern shows main peaks at: 22.6°(0.14), 27.7°(1.0), 28.2°(0.79), 32.1°(0.57), 33.9°(0.63), 35.2°(0.51), 39.6°(0.21), 44.3°(0.26), 48.4°(0.39), 51.2°(0.19), 55.8°(0.25), 67.1°(0.07), 69.8°(0.14), 72.9°(0.13).
Generate atomic structure description with lattice lengths, angles, ... | JVASP-144734 | 7.20 7.20 7.20
66 66 66
Ba 0.750 0.336 0.164
Ba 0.164 0.750 0.336
Ba 0.250 0.664 0.836
Ba 0.664 0.836 0.250
Ba 0.836 0.250 0.664
Ba 0.336 0.164 0.750
Ni 0.750 0.750 0.750
Ni 0.250 0.250 0.250
O 0.750 0.983 0.517
O 0.483 0.250 0.017
O 0.000 0.000 0.000
O 0.500 0.500 0.500
O 0.017 0.483 0.250
O 0.517 0.750 0.983
O 0.250 ... |
Below is a description of a material. | The chemical formula is: BaSn2Bi.
The XRD pattern shows main peaks at: 7.8°(0.11), 14.9°(0.1), 28.5°(0.47), 31.0°(1.0), 31.4°(0.49), 33.7°(0.63), 38.8°(0.1), 46.8°(0.1), 49.6°(0.27), 53.9°(0.12), 58.8°(0.06), 59.7°(0.18), 61.3°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and a... | JVASP-178579 | 7.36 7.36 12.13
72 107 120
Ba 0.212 0.788 0.640
Ba 0.786 0.214 0.365
Ba 0.634 0.366 0.899
Ba 0.369 0.631 0.109
Sn 0.904 0.096 0.125
Sn 0.317 0.096 0.125
Sn 0.904 0.683 0.125
Sn 0.094 0.906 0.869
Sn 0.684 0.903 0.871
Sn 0.097 0.316 0.871
Sn 0.241 0.312 0.624
Sn 0.688 0.759 0.624
Bi 0.697 0.303 0.629
Bi 0.792 0.714 0.373... |
Below is a description of a material. | The chemical formula is: MgH2C3O4.
The XRD pattern shows main peaks at: 15.4°(0.22), 21.0°(0.11), 21.7°(0.18), 24.7°(1.0), 27.9°(0.14), 29.6°(0.77), 32.5°(0.76), 34.0°(0.38), 34.9°(0.21), 35.5°(0.18), 36.0°(0.19), 38.2°(0.15), 39.7°(0.13), 40.5°(0.08), 41.6°(0.12), 45.1°(0.09), 47.3°(0.11), 48.4°(0.14), 50.7°(0.16), 57... | JVASP-112142 | 5.46 5.86 6.06
90 94 100
Mg 0.179 0.737 0.581
Mg 0.905 0.034 0.137
H 0.861 0.470 0.200
H 0.196 0.271 0.497
H 0.380 0.026 0.214
H 0.236 0.286 0.807
C 0.301 0.349 0.649
C 0.297 0.175 0.162
C 0.736 0.937 0.614
C 0.543 0.405 0.636
C 0.249 0.645 0.081
C 0.488 0.347 0.147
O 0.791 0.982 0.821
O 0.479 0.578 0.083
O 0.759 0.464... |
Below is a description of a material. | The chemical formula is: GaCo4Ge3.
The XRD pattern shows main peaks at: 33.5°(0.23), 38.8°(0.2), 43.4°(1.0), 43.8°(0.82), 47.5°(0.24), 48.1°(0.57), 76.0°(0.15), 76.7°(0.14), 77.2°(0.21), 83.2°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-171703 | 4.65 4.65 4.65
90 89 90
Ga 0.160 0.340 0.660
Co 0.860 0.640 0.360
Co 0.637 0.365 0.870
Co 0.370 0.863 0.635
Co 0.135 0.130 0.137
Ge 0.334 0.657 0.162
Ge 0.662 0.166 0.343
Ge 0.843 0.838 0.834 |
Below is a description of a material. | The chemical formula is: CeSm3.
The XRD pattern shows main peaks at: 30.9°(1.0), 35.8°(0.5), 51.6°(0.33), 61.3°(0.42), 64.4°(0.12), 75.9°(0.06), 84.2°(0.17), 86.9°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-36087 | 5.01 5.01 5.01
90 90 90
Ce 0.000 0.000 0.000
Sm 0.000 0.500 0.500
Sm 0.500 0.000 0.500
Sm 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: K4YBe.
The XRD pattern shows main peaks at: 14.9°(0.23), 17.2°(0.26), 24.4°(0.28), 28.7°(1.0), 30.0°(0.37), 38.1°(0.07), 39.1°(0.12), 43.0°(0.12), 45.8°(0.33), 50.1°(0.25), 53.3°(0.06), 56.5°(0.05), 58.8°(0.11), 59.5°(0.14), 68.1°(0.06), 70.2°(0.19), 80.8°(0.06).
Generate atomic structure descr... | JVASP-70939 | 7.29 7.29 7.29
60 60 60
K 0.121 0.626 0.626
K 0.626 0.626 0.626
K 0.626 0.121 0.626
K 0.626 0.626 0.121
Y 0.250 0.250 0.250
Be 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Rb2CrF6.
The XRD pattern shows main peaks at: 18.2°(0.38), 21.0°(0.18), 29.9°(1.0), 36.8°(0.54), 42.8°(0.5), 53.0°(0.35), 62.1°(0.28).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-57630 | 5.98 5.98 5.98
60 60 60
Rb 0.750 0.750 0.750
Rb 0.250 0.250 0.250
Cr 0.000 0.000 0.000
F 0.218 0.782 0.782
F 0.218 0.782 0.218
F 0.782 0.218 0.782
F 0.782 0.218 0.218
F 0.782 0.782 0.218
F 0.218 0.218 0.782 |
Below is a description of a material. | The chemical formula is: Li2MgHg.
The XRD pattern shows main peaks at: 23.5°(1.0), 27.2°(0.82), 38.9°(0.74), 45.9°(0.52), 48.1°(0.24), 56.1°(0.13), 61.7°(0.23), 63.5°(0.3), 70.4°(0.27), 75.4°(0.16), 83.4°(0.09), 88.2°(0.19), 89.8°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates an... | JVASP-39223 | 4.63 4.63 4.63
60 60 60
Li 0.000 0.000 0.000
Li 0.500 0.500 0.500
Mg 0.750 0.750 0.750
Hg 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: BeVRu2.
The XRD pattern shows main peaks at: 26.5°(0.08), 30.7°(0.46), 44.0°(1.0), 54.6°(0.12), 63.9°(0.14), 72.6°(0.15), 80.9°(0.3).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-40585 | 4.12 4.12 4.12
59 59 59
Be 0.250 0.250 0.250
V 0.750 0.750 0.750
Ru -0.000 -0.000 -0.000
Ru 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: H2PbO2.
The XRD pattern shows main peaks at: 14.5°(0.26), 18.7°(0.4), 21.8°(0.67), 22.2°(0.45), 25.4°(0.32), 27.8°(1.0), 29.2°(0.25), 32.6°(0.19), 35.0°(0.24), 36.2°(0.19), 37.1°(0.39), 37.9°(0.18), 39.7°(0.21), 43.7°(0.35), 45.9°(0.17), 51.7°(0.17), 53.5°(0.15), 54.2°(0.17), 55.5°(0.15), 57.4°... | JVASP-33292 | 8.00 3.77 9.48
90 90 90
H 0.980 0.250 0.149
H 0.480 0.250 0.351
H 0.020 0.750 0.851
H 0.520 0.750 0.649
H 0.698 0.250 0.143
H 0.198 0.250 0.357
H 0.302 0.750 0.857
H 0.802 0.750 0.643
Pb 0.695 0.750 0.931
Pb 0.195 0.750 0.569
Pb 0.305 0.250 0.069
Pb 0.805 0.250 0.431
O 0.085 0.250 0.206
O 0.585 0.250 0.294
O 0.915 0.75... |
Below is a description of a material. | The chemical formula is: Sc2BeV.
The XRD pattern shows main peaks at: 23.6°(0.24), 27.3°(0.07), 39.0°(1.0), 46.1°(0.11), 56.3°(0.15), 70.6°(0.29), 83.7°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-74711 | 4.62 4.62 4.62
120 120 89
Sc 0.000 0.000 0.000
Sc 0.500 0.500 0.000
Be 0.750 0.250 0.500
V 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: ZnCr4NiO8.
The XRD pattern shows main peaks at: 30.3°(0.39), 35.7°(1.0), 37.3°(0.06), 43.4°(0.13), 57.4°(0.34), 63.0°(0.43).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-121853 | 5.90 5.90 5.90
60 60 59
Zn 0.000 0.000 0.000
Cr 0.624 0.624 0.127
Cr 0.624 0.127 0.624
Cr 0.127 0.624 0.624
Cr 0.624 0.624 0.624
Ni 0.250 0.250 0.250
O 0.863 0.863 0.411
O 0.863 0.411 0.863
O 0.411 0.863 0.863
O 0.863 0.863 0.863
O 0.387 0.387 0.838
O 0.387 0.838 0.387
O 0.838 0.387 0.387
O 0.387 0.387 0.387 |
Below is a description of a material. | The chemical formula is: BaF3.
The XRD pattern shows main peaks at: 23.9°(1.0), 24.5°(0.52), 27.0°(0.59), 27.5°(0.46), 29.0°(0.37), 29.8°(0.36), 38.0°(0.53), 39.3°(0.5), 40.4°(0.41), 42.7°(0.7), 43.6°(0.34), 46.3°(0.14), 47.1°(0.13), 48.1°(0.12), 49.0°(0.27), 49.5°(0.2), 50.1°(0.13), 56.8°(0.15), 60.0°(0.13), 75.1°(0.1... | JVASP-114568 | 4.60 4.19 6.02
47 134 122
Ba 0.624 0.500 0.751
F 0.166 0.042 0.023
F 0.624 0.500 0.251
F 0.082 -0.041 0.478 |
Below is a description of a material. | The chemical formula is: LaAl3.
The XRD pattern shows main peaks at: 15.2°(0.16), 24.6°(0.93), 26.6°(0.52), 30.8°(0.28), 36.6°(1.0), 39.1°(0.21), 45.8°(0.22), 47.9°(0.21), 50.5°(0.13), 54.7°(0.19), 60.9°(0.24), 67.6°(0.13), 69.2°(0.29).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-149617 | 6.71 6.71 4.61
90 90 119
La 0.667 0.333 0.250
La 0.333 0.667 0.750
Al 0.724 0.862 0.250
Al 0.138 0.862 0.250
Al 0.138 0.276 0.250
Al 0.276 0.138 0.750
Al 0.862 0.138 0.750
Al 0.862 0.724 0.750 |
Below is a description of a material. | The chemical formula is: MnNb.
The XRD pattern shows main peaks at: 29.1°(0.09), 41.7°(1.0), 60.4°(0.16), 76.1°(0.3).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-184333 | 3.06 3.06 3.06
90 90 90
Mn 0.500 0.500 0.500
Nb 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: LiCa2Al.
The XRD pattern shows main peaks at: 20.4°(0.09), 23.5°(0.26), 33.5°(1.0), 41.4°(0.07), 48.2°(0.16), 54.3°(0.09), 60.0°(0.33), 70.5°(0.1), 80.3°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-41937 | 5.34 5.34 5.34
60 60 60
Li 0.750 0.750 0.750
Ca 0.500 0.500 0.500
Ca 0.000 0.000 0.000
Al 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: Ba3Cd2Sb4.
The XRD pattern shows main peaks at: 12.9°(0.11), 24.2°(0.39), 26.0°(0.19), 29.8°(1.0), 30.9°(0.18), 32.1°(0.27), 36.5°(0.44), 39.0°(0.18), 39.4°(0.12), 40.3°(0.19), 41.1°(0.17), 42.8°(0.15), 45.3°(0.09), 49.4°(0.17), 50.6°(0.13), 54.8°(0.09), 57.5°(0.13), 58.8°(0.11), 59.7°(0.09), 6... | JVASP-150118 | 9.33 9.33 7.77
68 68 30
Ba 0.142 0.142 0.406
Ba 0.858 0.858 0.594
Ba 0.000 0.000 0.000
Cd 0.333 0.333 0.973
Cd 0.667 0.667 0.027
Sb 0.208 0.208 0.800
Sb 0.792 0.792 0.200
Sb 0.500 0.500 0.686
Sb 0.500 0.500 0.314 |
Below is a description of a material. | The chemical formula is: SrCa2Ac.
The XRD pattern shows main peaks at: 17.3°(0.24), 20.0°(0.37), 28.4°(1.0), 33.5°(0.14), 35.0°(0.13), 40.6°(0.18), 44.5°(0.07), 45.7°(0.19), 50.3°(0.39), 53.6°(0.05), 58.8°(0.13), 61.8°(0.06), 62.8°(0.1), 66.6°(0.18), 70.3°(0.06), 81.0°(0.2).
Generate atomic structure description with l... | JVASP-161332 | 6.28 6.28 6.28
60 60 60
Sr 0.750 0.750 0.750
Ca 0.500 0.500 0.500
Ca 0.000 0.000 0.000
Ac 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: GaSn7.
The XRD pattern shows main peaks at: 23.6°(1.0), 39.1°(0.76), 46.2°(0.47), 56.4°(0.14), 62.0°(0.22), 70.8°(0.27), 75.8°(0.16), 83.9°(0.1), 88.7°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-122564 | 6.52 6.52 6.52
90 90 90
Ga 0.000 0.000 0.500
Sn 0.239 0.239 0.739
Sn 0.000 0.500 0.000
Sn 0.239 0.761 0.261
Sn 0.500 0.000 0.000
Sn 0.761 0.239 0.261
Sn 0.500 0.500 0.500
Sn 0.761 0.761 0.739 |
Below is a description of a material. | The chemical formula is: K2AgAuBr6.
The XRD pattern shows main peaks at: 16.5°(1.0), 23.4°(0.28), 28.8°(0.17), 33.4°(0.96), 37.5°(0.55), 48.0°(0.62), 59.7°(0.23), 70.2°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-109234 | 7.59 7.59 7.59
60 60 60
K 0.750 0.750 0.750
K 0.250 0.250 0.250
Ag 0.500 0.500 0.500
Au 0.000 0.000 0.000
Br 0.751 0.249 0.249
Br 0.249 0.249 0.751
Br 0.249 0.751 0.751
Br 0.249 0.751 0.249
Br 0.751 0.249 0.751
Br 0.751 0.751 0.249 |
Below is a description of a material. | The chemical formula is: NpSi.
The XRD pattern shows main peaks at: 18.5°(1.0), 32.4°(0.23), 33.7°(0.35), 37.5°(0.49), 39.5°(0.72), 42.8°(0.17), 43.3°(0.14), 48.0°(0.35), 50.3°(0.11), 51.9°(0.05), 61.7°(0.13), 62.5°(0.14), 65.0°(0.15), 68.6°(0.09), 69.8°(0.05), 74.5°(0.11), 82.7°(0.06), 84.9°(0.11).
Generate atomic str... | JVASP-17826 | 2.60 5.53 9.60
90 90 90
Np 0.250 0.433 0.728
Np 0.750 0.567 0.272
Np 0.750 0.933 0.772
Np 0.250 0.067 0.228
Si 0.250 0.805 0.510
Si 0.750 0.195 0.490
Si 0.750 0.305 0.990
Si 0.250 0.695 0.010 |
Below is a description of a material. | The chemical formula is: Mg2Zn.
The XRD pattern shows main peaks at: 11.6°(0.5), 21.8°(0.23), 28.9°(0.14), 29.9°(0.09), 33.4°(0.13), 37.3°(0.33), 38.4°(1.0), 39.2°(0.05), 45.4°(0.15), 47.8°(0.06), 50.9°(0.07), 58.5°(0.08), 68.0°(0.17), 71.5°(0.09).
Generate atomic structure description with lattice lengths, angles, coo... | JVASP-168079 | 3.15 15.24 4.82
90 90 90
Mg 0.500 0.407 0.250
Mg -0.000 0.219 0.250
Mg 0.500 0.281 0.750
Mg 0.000 0.093 0.750
Mg -0.000 0.907 0.250
Mg 0.500 0.719 0.250
Mg 0.000 0.781 0.750
Mg 0.500 0.593 0.750
Zn 0.500 0.061 0.250
Zn 0.000 0.439 0.750
Zn -0.000 0.561 0.250
Zn 0.500 0.939 0.750 |
Below is a description of a material. | The chemical formula is: TaSBr2.
The XRD pattern shows main peaks at: 14.2°(0.42), 20.2°(1.0), 26.3°(0.14), 33.4°(0.75), 35.0°(0.41), 38.3°(0.25), 41.0°(0.17), 43.3°(0.32), 44.6°(0.07), 51.7°(0.42), 55.2°(0.09), 56.3°(0.12), 59.4°(0.19), 66.4°(0.1), 67.1°(0.06), 70.2°(0.08), 72.7°(0.07), 73.6°(0.07), 79.3°(0.07), 82.9°... | JVASP-138341 | 6.88 6.88 6.88
140 150 50
Ta 0.000 0.000 0.000
S 0.000 0.500 0.500
Br 0.659 0.159 0.500
Br 0.341 0.841 0.500 |
Below is a description of a material. | The chemical formula is: MgGe.
The XRD pattern shows main peaks at: 20.6°(0.23), 31.5°(0.46), 37.9°(1.0), 42.0°(0.17), 53.4°(0.21), 56.0°(0.19), 60.4°(0.08), 65.7°(0.06), 69.7°(0.17), 72.4°(0.18), 74.0°(0.13), 81.1°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-123925 | 3.28 3.28 4.30
90 90 120
Mg 0.333 0.667 0.250
Ge 0.667 0.333 0.750 |
Below is a description of a material. | The chemical formula is: Zn2Cr3FeO8.
The XRD pattern shows main peaks at: 30.2°(0.4), 30.6°(0.34), 35.7°(1.0), 36.1°(0.45), 37.3°(0.09), 43.5°(0.23), 57.5°(0.3), 58.0°(0.11), 62.7°(0.38), 63.8°(0.35).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-142764 | 5.84 5.84 5.84
60 119 119
Zn 0.249 0.751 0.751
Zn 0.001 0.999 0.999
Cr 0.625 0.875 0.375
Cr 0.625 0.375 0.875
Cr 0.125 0.375 0.375
Fe 0.625 0.375 0.375
O 0.863 0.137 0.137
O 0.387 0.613 0.613
O 0.861 0.589 0.139
O 0.861 0.139 0.589
O 0.411 0.139 0.139
O 0.389 0.161 0.611
O 0.389 0.611 0.161
O 0.839 0.611 0.611 |
Below is a description of a material. | The chemical formula is: Na2AgF4.
The XRD pattern shows main peaks at: 17.2°(0.83), 18.0°(1.0), 28.4°(0.6), 29.5°(0.27), 30.4°(0.72), 31.9°(0.16), 33.3°(0.37), 34.4°(0.17), 36.5°(0.21), 37.7°(0.73), 40.2°(0.43), 43.1°(0.14), 46.1°(0.18), 46.8°(0.19), 47.6°(0.12), 48.9°(0.12), 52.2°(0.14), 52.8°(0.24), 56.0°(0.4), 56.6°... | JVASP-141196 | 10.34 3.33 6.16
65 90 90
Na 0.650 0.257 0.965
Na 0.150 0.743 0.535
Na 0.350 0.743 0.035
Na 0.850 0.257 0.465
Ag 0.500 -0.000 0.500
Ag 0.000 0.000 0.000
F 0.062 0.429 0.296
F 0.562 0.571 0.204
F 0.938 0.571 0.704
F 0.438 0.429 0.796
F 0.327 0.028 0.313
F 0.827 0.972 0.187
F 0.673 0.972 0.687
F 0.173 0.028 0.813 |
Below is a description of a material. | The chemical formula is: SiAg4O4.
The XRD pattern shows main peaks at: 16.8°(0.1), 32.7°(1.0), 37.7°(0.1), 38.1°(0.24), 39.0°(0.05), 47.9°(0.05), 48.8°(0.05), 54.7°(0.18), 64.9°(0.06), 65.5°(0.17), 68.6°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-34561 | 7.46 7.46 4.77
90 90 90
Si 0.000 0.000 0.500
Si 0.500 0.500 0.000
Ag 0.888 0.675 0.044
Ag 0.112 0.325 0.044
Ag 0.612 0.825 0.456
Ag 0.675 0.112 0.956
Ag 0.175 0.612 0.544
Ag 0.825 0.388 0.544
Ag 0.325 0.888 0.956
Ag 0.388 0.175 0.456
O 0.328 0.438 0.805
O 0.562 0.328 0.195
O 0.172 0.062 0.695
O 0.672 0.562 0.805
O 0.93... |
Below is a description of a material. | The chemical formula is: HoCu4Au.
The XRD pattern shows main peaks at: 21.6°(0.16), 35.7°(0.68), 42.1°(1.0), 44.1°(0.15), 64.1°(0.24), 68.5°(0.3), 75.6°(0.23), 86.5°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-63747 | 5.03 5.03 5.03
60 60 60
Ho 0.000 0.000 0.000
Cu 0.873 0.376 0.376
Cu 0.376 0.873 0.376
Cu 0.376 0.376 0.376
Cu 0.376 0.376 0.873
Au 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: CaPAu.
The XRD pattern shows main peaks at: 10.9°(1.0), 21.9°(0.22), 30.7°(0.58), 32.7°(0.34), 33.0°(0.21), 38.0°(0.25), 44.0°(0.22), 45.7°(0.36), 49.6°(0.11), 55.1°(0.09), 56.1°(0.2), 64.0°(0.07), 65.1°(0.05), 65.8°(0.06), 72.6°(0.1), 73.9°(0.1), 76.9°(0.07), 82.1°(0.13).
Generate atomic struc... | JVASP-115448 | 2.91 2.91 8.13
90 90 90
Ca 0.000 0.000 -0.009
P 0.000 0.000 0.653
Au 0.000 0.000 0.344 |
Below is a description of a material. | The chemical formula is: Li5Mn2CrO8.
The XRD pattern shows main peaks at: 18.7°(1.0), 19.1°(0.33), 22.0°(0.16), 31.0°(0.08), 37.1°(0.28), 44.7°(0.71), 48.9°(0.11), 58.8°(0.1), 64.6°(0.26), 66.0°(0.18), 83.1°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-176461 | 5.66 5.66 5.78
60 119 119
Li 0.000 0.500 -0.000
Li 0.500 0.500 -0.000
Li 0.000 0.000 -0.000
Li 0.500 0.000 -0.000
Li 0.500 0.500 0.500
Mn 0.000 0.500 0.500
Mn 0.500 0.000 0.500
Cr 0.000 0.000 0.500
O 0.254 0.229 0.272
O 0.753 0.247 0.270
O 0.251 0.749 0.275
O 0.771 0.746 0.272
O 0.746 0.771 0.728
O 0.247 0.753 0.730
O ... |
Below is a description of a material. | The chemical formula is: LiAlPHO5.
The XRD pattern shows main peaks at: 18.9°(0.76), 26.5°(0.47), 27.0°(0.47), 27.6°(0.92), 28.0°(1.0), 30.0°(0.84), 34.7°(0.12), 35.9°(0.25), 37.2°(0.35), 39.2°(0.2), 40.7°(0.12), 42.1°(0.26), 46.0°(0.26), 47.9°(0.17), 50.8°(0.14), 51.8°(0.18), 56.6°(0.17), 57.1°(0.33), 58.4°(0.17), 60.... | JVASP-85711 | 5.05 5.23 7.07
73 109 82
Li 0.249 0.390 0.683
Li 0.751 0.610 0.317
Al 0.000 0.000 0.000
Al -0.000 -0.000 0.500
P 0.674 0.640 0.732
P 0.326 0.360 0.268
H 0.652 0.072 0.151
H 0.348 0.928 0.849
O 0.262 0.211 0.104
O 0.738 0.789 0.896
O 0.881 0.671 0.611
O 0.119 0.329 0.389
O 0.306 0.669 0.162
O 0.644 0.239 0.430
O 0.694 0... |
Below is a description of a material. | The chemical formula is: Sr4SeF.
The XRD pattern shows main peaks at: 15.4°(0.33), 25.2°(0.11), 29.7°(1.0), 31.0°(0.56), 36.0°(0.15), 39.4°(0.09), 47.3°(0.34), 51.8°(0.33), 54.4°(0.08), 60.9°(0.12), 61.6°(0.22), 72.8°(0.22), 84.0°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates an... | JVASP-180640 | 7.06 7.06 7.06
60 60 60
Sr 0.374 0.374 0.877
Sr 0.374 0.877 0.374
Sr 0.877 0.374 0.374
Sr 0.374 0.374 0.374
Se -0.000 -0.000 -0.000
F 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: Nb6InSe8.
The XRD pattern shows main peaks at: 10.0°(0.3), 20.1°(0.18), 27.4°(0.18), 30.3°(0.31), 31.0°(0.1), 32.7°(0.41), 36.7°(0.54), 37.2°(1.0), 40.0°(0.14), 43.9°(0.37), 45.2°(0.14), 47.1°(0.28), 52.3°(0.24), 65.6°(0.2), 73.1°(0.14), 81.0°(0.06).
Generate atomic structure description with l... | JVASP-145378 | 10.20 10.20 3.49
90 90 120
Nb 0.486 0.105 0.500
Nb 0.895 0.381 0.500
Nb 0.619 0.514 0.500
Nb 0.511 0.895 0.000
Nb 0.105 0.617 0.000
Nb 0.383 0.489 0.000
In 0.000 0.000 0.500
Se 0.333 0.667 0.500
Se 0.667 0.333 0.000
Se 0.341 0.280 0.500
Se 0.720 0.061 0.500
Se 0.939 0.659 0.500
Se 0.662 0.723 0.000
Se 0.277 0.939 0.000... |
Below is a description of a material. | The chemical formula is: HfZr3C4.
The XRD pattern shows main peaks at: 18.9°(0.12), 26.8°(0.09), 33.0°(1.0), 38.3°(0.73), 43.1°(0.06), 55.3°(0.49), 66.0°(0.41), 69.3°(0.17), 82.1°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-189870 | 4.70 4.70 4.70
90 90 90
Hf 0.000 0.000 0.000
Zr 0.000 0.500 0.500
Zr 0.500 0.000 0.500
Zr 0.500 0.500 0.000
C 0.500 0.000 0.000
C 0.000 0.500 0.000
C 0.000 0.000 0.500
C 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: SrSnF.
The XRD pattern shows main peaks at: 24.3°(0.81), 25.3°(1.0), 34.6°(0.34), 35.4°(0.88), 37.6°(0.27), 42.8°(0.34), 45.3°(0.31), 49.9°(0.11), 52.0°(0.21), 56.7°(0.32), 58.2°(0.3), 60.7°(0.09), 62.1°(0.12), 62.5°(0.17), 64.1°(0.11), 66.4°(0.15), 74.9°(0.14), 78.8°(0.09), 82.3°(0.09), 84.0°(... | JVASP-121041 | 5.18 4.79 3.66
90 90 90
Sr -0.084 0.420 0.000
Sn 0.416 -0.080 0.000
F -0.084 -0.080 0.000 |
Below is a description of a material. | The chemical formula is: MgS2.
The XRD pattern shows main peaks at: 19.3°(0.06), 26.9°(0.36), 29.2°(1.0), 42.2°(0.45), 46.1°(0.5), 53.8°(0.21), 55.5°(0.14), 64.2°(0.08), 74.9°(0.1), 82.6°(0.07), 85.3°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-173630 | 3.94 5.12 10.24
45 90 112
Mg 0.694 0.389 0.111
Mg 0.694 0.389 0.611
S 0.118 0.237 0.323
S 0.271 0.541 0.400
S 0.118 0.237 0.823
S 0.271 0.541 0.900 |
Below is a description of a material. | The chemical formula is: LiTiFeO4.
The XRD pattern shows main peaks at: 18.6°(1.0), 18.9°(0.64), 35.9°(0.19), 36.5°(0.35), 37.6°(0.07), 38.4°(0.07), 43.9°(0.61), 44.8°(0.32), 57.8°(0.12), 59.2°(0.06), 62.7°(0.1), 64.5°(0.39), 80.3°(0.07), 82.2°(0.07).
Generate atomic structure description with lattice lengths, angles, ... | JVASP-42986 | 5.76 5.78 5.78
61 60 60
Li 0.125 0.125 0.125
Li 0.875 0.875 0.875
Ti 0.500 0.000 0.500
Ti 0.500 0.500 0.000
Fe 0.000 0.500 0.500
Fe 0.500 0.500 0.500
O 0.263 0.258 0.258
O 0.257 0.274 0.713
O 0.257 0.713 0.274
O 0.720 0.258 0.258
O 0.280 0.742 0.742
O 0.743 0.726 0.287
O 0.743 0.287 0.726
O 0.737 0.742 0.742 |
Below is a description of a material. | The chemical formula is: FeCo8S8.
The XRD pattern shows main peaks at: 15.7°(0.24), 30.3°(0.82), 31.7°(0.2), 36.8°(0.08), 40.2°(0.17), 48.4°(0.35), 53.0°(1.0), 62.3°(0.1), 63.1°(0.06), 74.6°(0.15), 78.3°(0.13), 86.2°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-159398 | 6.91 6.91 6.91
60 60 60
Fe 0.500 0.500 0.500
Co 0.126 0.126 0.126
Co 0.126 0.126 0.622
Co 0.126 0.622 0.126
Co 0.874 0.378 0.874
Co 0.874 0.874 0.874
Co 0.874 0.874 0.378
Co 0.378 0.874 0.874
Co 0.622 0.126 0.126
S 0.265 0.265 0.735
S 0.750 0.750 0.750
S 0.250 0.250 0.250
S 0.735 0.265 0.735
S 0.265 0.735 0.265
S 0.735... |
Below is a description of a material. | The chemical formula is: LiLaSn2.
The XRD pattern shows main peaks at: 23.8°(0.15), 27.9°(0.13), 30.3°(0.12), 30.9°(1.0), 34.2°(0.18), 39.1°(0.16), 39.4°(0.16), 42.5°(0.08), 46.9°(0.08), 49.0°(0.06), 50.5°(0.06), 52.9°(0.1), 56.7°(0.12), 59.1°(0.06), 62.9°(0.07), 65.7°(0.12), 66.3°(0.11).
Generate atomic structure desc... | JVASP-150038 | 9.88 9.88 4.57
90 90 152
Li 0.323 0.677 0.750
Li 0.677 0.323 0.250
La 0.107 0.893 0.750
La 0.893 0.107 0.250
Sn 0.456 0.544 0.750
Sn 0.544 0.456 0.250
Sn 0.750 0.250 0.750
Sn 0.250 0.750 0.250 |
Below is a description of a material. | The chemical formula is: TbPd3.
The XRD pattern shows main peaks at: 37.8°(1.0), 44.0°(0.44), 63.9°(0.32), 76.7°(0.37), 80.8°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-15042 | 4.12 4.12 4.12
90 90 90
Tb 0.000 0.000 0.000
Pd 0.500 0.000 0.500
Pd 0.000 0.500 0.500
Pd 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: Pm3Ag.
The XRD pattern shows main peaks at: 25.1°(0.07), 28.5°(0.06), 29.7°(0.56), 33.2°(1.0), 33.6°(0.22), 38.3°(0.22), 44.6°(0.12), 50.4°(0.28), 51.9°(0.09), 59.6°(0.07), 62.0°(0.25), 81.8°(0.06), 83.6°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-125749 | 3.62 3.62 10.65
90 90 120
Pm 0.667 0.333 0.778
Pm 0.000 0.000 0.500
Pm 0.333 0.667 0.222
Ag 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Be2HgSe.
The XRD pattern shows main peaks at: 13.9°(0.4), 27.3°(1.0), 28.0°(0.52), 33.9°(0.57), 37.6°(0.08), 40.2°(0.71), 44.5°(0.3), 47.5°(0.09), 54.2°(0.16), 56.2°(0.05), 57.5°(0.13), 58.0°(0.27), 61.7°(0.23), 62.1°(0.22), 65.4°(0.17), 72.6°(0.14), 80.2°(0.05), 82.9°(0.1), 87.0°(0.08).
Genera... | JVASP-70119 | 6.81 6.81 6.81
151 151 41
Be 0.000 0.000 0.000
Be 0.250 0.750 0.500
Hg 0.500 0.500 0.000
Se 0.750 0.250 0.500 |
Below is a description of a material. | The chemical formula is: Ce2CuGe3.
The XRD pattern shows main peaks at: 24.0°(0.11), 32.9°(1.0), 42.2°(0.48), 45.3°(0.12), 54.6°(0.24), 63.7°(0.28), 71.3°(0.22), 77.2°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-106113 | 4.28 4.28 8.00
90 90 120
Ce 0.667 0.333 0.247
Ce 0.667 0.333 0.753
Cu 0.000 0.000 0.000
Ge 0.000 0.000 0.500
Ge 0.333 0.667 0.000
Ge 0.333 0.667 0.500 |
Below is a description of a material. | The chemical formula is: AlV2O4.
The XRD pattern shows main peaks at: 18.6°(0.46), 30.6°(0.14), 36.1°(1.0), 37.7°(0.09), 43.9°(0.46), 58.0°(0.27), 63.7°(0.57), 80.5°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-119261 | 5.85 5.84 5.85
60 59 60
Al 0.625 0.625 0.625
Al 0.375 0.375 0.375
V 1.000 0.000 0.000
V 0.000 0.000 0.500
V 1.000 0.500 -0.000
V 0.500 1.000 -0.000
O 0.252 0.748 0.752
O 0.248 0.252 0.748
O 0.252 0.748 0.252
O 0.252 0.248 0.252
O 0.752 0.748 0.252
O 0.748 0.252 0.248
O 0.748 0.252 0.748
O 0.748 0.752 0.748 |
Below is a description of a material. | The chemical formula is: K3Cu3P2.
The XRD pattern shows main peaks at: 13.4°(1.0), 20.1°(0.17), 26.9°(0.1), 28.8°(0.77), 31.4°(0.22), 34.3°(0.36), 36.7°(0.62), 37.6°(0.5), 40.9°(0.56), 41.8°(0.39), 52.3°(0.31), 54.4°(0.23), 55.5°(0.13), 59.8°(0.14), 63.9°(0.13), 65.6°(0.26).
Generate atomic structure description with l... | JVASP-2571 | 7.40 7.40 7.40
45 45 45
K 0.909 0.909 0.909
K 0.500 0.500 0.500
K 0.091 0.091 0.091
Cu 0.500 -0.000 0.500
Cu 0.500 0.500 -0.000
Cu -0.000 0.500 0.500
P 0.255 0.255 0.255
P 0.745 0.745 0.745 |
Below is a description of a material. | The chemical formula is: LiCuHSO5.
The XRD pattern shows main peaks at: 11.7°(1.0), 19.5°(0.24), 22.4°(0.14), 23.3°(0.3), 25.1°(0.08), 27.4°(0.17), 28.1°(0.07), 30.1°(0.22), 31.4°(0.34), 33.7°(0.12), 35.5°(0.07), 37.4°(0.08), 39.0°(0.31), 39.7°(0.12), 41.6°(0.07), 44.1°(0.08), 48.2°(0.06), 53.5°(0.09), 56.6°(0.07), 63.... | JVASP-112284 | 5.68 4.54 7.59
92 90 90
Li 0.750 0.813 0.651
Li 0.250 0.187 0.349
Cu 0.000 0.000 0.000
Cu 0.500 0.000 0.000
H 0.750 0.328 0.828
H 0.250 0.672 0.172
S 0.250 0.433 0.737
S 0.750 0.567 0.263
O 0.965 0.386 0.258
O 0.535 0.386 0.258
O 0.750 0.794 0.404
O 0.250 0.206 0.596
O 0.250 0.277 0.918
O 0.035 0.614 0.742
O 0.750 0.11... |
Below is a description of a material. | The chemical formula is: Pr3Dy.
The XRD pattern shows main peaks at: 30.1°(1.0), 34.8°(0.51), 50.1°(0.4), 59.5°(0.43), 62.5°(0.13), 81.5°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-110852 | 6.30 6.30 6.30
131 131 70
Pr 0.750 0.250 0.500
Pr 0.250 0.750 0.500
Pr 0.500 0.500 -0.000
Dy 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: HfTe2.
The XRD pattern shows main peaks at: 13.0°(0.39), 29.1°(1.0), 37.2°(0.59), 39.8°(0.06), 45.8°(0.24), 48.1°(0.2), 54.0°(0.08), 55.0°(0.14), 60.3°(0.11), 68.5°(0.06), 73.5°(0.11), 74.5°(0.06), 75.2°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and ... | JVASP-128418 | 3.96 3.99 6.79
90 90 120
Hf 0.000 0.333 0.333
Te 0.333 -0.000 0.594
Te 0.667 0.667 0.072 |
Below is a description of a material. | The chemical formula is: Sr3GaO4F.
The XRD pattern shows main peaks at: 26.2°(0.07), 30.6°(1.0), 31.2°(0.38), 37.4°(0.26), 37.8°(0.62), 42.1°(0.17), 49.5°(0.22), 55.2°(0.18), 56.5°(0.16), 61.0°(0.13), 65.1°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-9977 | 6.79 6.79 7.48
117 117 90
Sr 0.250 0.250 0.500
Sr 0.166 0.666 0.000
Sr 0.334 0.166 0.000
Sr 0.666 0.834 -0.000
Sr 0.834 0.334 -0.000
Sr 0.750 0.750 0.500
Ga 0.250 0.750 0.500
Ga 0.750 0.250 0.500
O 0.495 0.995 0.288
O 0.995 0.793 0.288
O 0.293 0.495 0.288
O 0.005 0.207 0.712
O 0.707 0.505 0.712
O 0.505 0.005 0.712
O 0.... |
Below is a description of a material. | The chemical formula is: CaGe3.
The XRD pattern shows main peaks at: 15.8°(0.15), 22.9°(0.07), 26.4°(0.08), 32.7°(0.09), 35.3°(0.4), 35.6°(1.0), 36.5°(0.12), 39.6°(0.35), 41.8°(0.11), 46.3°(0.12), 48.2°(0.09), 48.8°(0.07), 49.9°(0.25), 52.7°(0.08), 59.5°(0.14), 68.8°(0.1), 70.0°(0.1), 70.4°(0.11), 73.2°(0.09), 84.2°(0.... | JVASP-154446 | 7.85 7.85 7.85
120 120 88
Ca 0.165 0.165 0.000
Ca 0.835 0.835 -0.000
Ca 0.250 0.750 0.500
Ca 0.750 0.250 0.500
Ge 0.000 0.331 0.331
Ge 0.000 0.669 0.669
Ge 0.331 0.000 0.331
Ge 0.669 -0.000 0.669
Ge 0.435 0.435 0.633
Ge 0.802 0.802 0.367
Ge 0.435 0.802 0.000
Ge 0.802 0.435 -0.000
Ge 0.198 0.565 0.000
Ge 0.565 0.198 -0.... |
Below is a description of a material. | The chemical formula is: ZrBO4.
The XRD pattern shows main peaks at: 20.5°(1.0), 22.5°(0.07), 24.3°(0.12), 33.4°(0.26), 34.6°(0.06), 38.3°(0.08), 40.6°(0.18), 41.7°(0.11), 52.6°(0.21), 54.4°(0.06), 56.2°(0.06), 58.8°(0.05), 61.3°(0.1), 66.1°(0.06), 75.4°(0.05), 76.9°(0.05).
Generate atomic structure description with la... | JVASP-114007 | 5.39 5.39 5.39
122 122 85
Zr 0.000 0.000 0.000
B 0.250 0.750 0.500
O 0.563 0.959 0.805
O 0.241 0.437 0.396
O 0.155 0.759 0.195
O 0.041 0.845 0.604 |
Below is a description of a material. | The chemical formula is: Tb2AlFeO6.
The XRD pattern shows main peaks at: 23.7°(0.48), 26.6°(0.25), 33.1°(0.25), 33.9°(1.0), 34.4°(0.36), 35.3°(0.19), 41.3°(0.17), 42.2°(0.13), 43.8°(0.07), 48.5°(0.29), 49.0°(0.21), 50.1°(0.18), 55.3°(0.29), 59.7°(0.09), 60.5°(0.11), 61.5°(0.22), 66.6°(0.1), 70.9°(0.06), 71.6°(0.07), 81... | JVASP-143778 | 5.41 5.21 9.10
54 90 90
Tb 0.560 0.736 0.750
Tb 0.060 0.264 0.750
Tb 0.440 0.264 0.250
Tb 0.940 0.736 0.250
Al 0.500 0.500 0.500
Al 0.000 0.500 0.000
Fe 0.500 0.000 0.000
Fe 0.000 -0.000 0.500
O 0.702 0.250 0.455
O 0.202 0.750 0.045
O 0.708 0.653 0.046
O 0.208 0.347 0.454
O 0.298 0.750 0.545
O 0.479 0.165 0.747
O 0.521... |
Below is a description of a material. | The chemical formula is: AlZn.
The XRD pattern shows main peaks at: 11.3°(0.5), 33.5°(0.14), 39.1°(1.0), 45.0°(0.31), 46.2°(0.15), 47.1°(0.09), 65.6°(0.11), 66.5°(0.2), 79.1°(0.24), 83.9°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-188526 | 2.85 2.85 7.86
90 90 90
Zn 0.250 0.250 0.620
Zn 0.750 0.750 0.380
Al 0.250 0.250 0.131
Al 0.750 0.750 0.869 |
Below is a description of a material. | The chemical formula is: AsNO2F6.
The XRD pattern shows main peaks at: 16.7°(0.54), 18.6°(0.87), 23.4°(1.0), 24.7°(0.56), 26.6°(0.74), 28.1°(0.41), 30.0°(0.22), 33.7°(0.08), 42.2°(0.65), 42.8°(0.15), 44.6°(0.4), 50.8°(0.08), 51.7°(0.26), 54.8°(0.12), 58.0°(0.1), 62.3°(0.15), 64.4°(0.11), 68.6°(0.09), 73.1°(0.11), 80.0°... | JVASP-101539 | 4.83 4.83 5.40
83 83 96
As 0.000 0.000 0.000
N 0.500 0.500 0.500
O 0.659 0.659 0.566
O 0.341 0.341 0.434
F 0.279 0.279 0.956
F 0.181 0.835 0.764
F 0.835 0.181 0.764
F 0.165 0.819 0.236
F 0.819 0.165 0.236
F 0.721 0.721 0.044 |
Below is a description of a material. | The chemical formula is: ZnGaO3.
The XRD pattern shows main peaks at: 33.2°(1.0), 47.7°(0.36), 59.3°(0.37), 69.7°(0.22), 79.4°(0.16), 88.8°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-39540 | 3.82 3.82 3.82
90 90 90
Zn 0.000 0.000 0.000
Ga 0.500 0.500 0.500
O 0.500 0.000 0.500
O 0.000 0.500 0.500
O 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: PrO2.
The XRD pattern shows main peaks at: 27.2°(0.53), 28.1°(1.0), 28.8°(0.46), 30.9°(0.84), 40.1°(0.6), 44.3°(0.27), 46.8°(0.31), 49.2°(0.15), 50.0°(0.17), 50.6°(0.28), 52.4°(0.24), 53.7°(0.24), 58.3°(0.28), 58.7°(0.14), 64.1°(0.08), 70.2°(0.1), 72.7°(0.09), 73.9°(0.18), 80.1°(0.11), 81.6°(0.... | JVASP-151044 | 3.65 6.19 7.41
90 90 90
Pr 0.250 0.250 0.622
Pr 0.750 0.250 0.122
Pr 0.750 0.750 0.378
Pr 0.250 0.750 0.878
O 0.250 0.140 0.932
O 0.750 0.360 0.432
O 0.750 0.860 0.068
O 0.250 0.640 0.568
O 0.250 0.041 0.327
O 0.750 0.459 0.827
O 0.750 0.959 0.673
O 0.250 0.541 0.173 |
Below is a description of a material. | The chemical formula is: AlInO2.
The XRD pattern shows main peaks at: 13.8°(0.74), 27.8°(0.56), 35.7°(0.47), 36.6°(0.56), 40.2°(1.0), 42.3°(0.15), 42.7°(0.42), 52.4°(0.31), 57.5°(0.06), 60.4°(0.26), 63.5°(0.25), 65.4°(0.09), 70.7°(0.23), 77.9°(0.13), 79.3°(0.25).
Generate atomic structure description with lattice lengt... | JVASP-135266 | 6.63 6.63 6.63
25 25 25
Al 0.500 0.500 0.500
In 0.000 0.000 0.000
O 0.217 0.217 0.217
O 0.783 0.783 0.783 |
Below is a description of a material. | The chemical formula is: TmAl3.
The XRD pattern shows main peaks at: 21.0°(0.97), 29.9°(0.78), 36.8°(1.0), 42.7°(0.44), 48.1°(0.45), 53.0°(0.34), 62.0°(0.29), 66.3°(0.21), 70.4°(0.14), 74.4°(0.36), 78.3°(0.11), 82.1°(0.09), 86.0°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-19824 | 4.23 4.23 4.23
90 90 90
Tm 0.000 0.000 0.000
Al 0.000 0.500 0.500
Al 0.500 0.500 0.000
Al 0.500 0.000 0.500 |
Below is a description of a material. | The chemical formula is: Be2CrSi.
The XRD pattern shows main peaks at: 18.7°(0.22), 29.6°(1.0), 35.3°(0.16), 38.0°(0.27), 42.4°(0.69), 46.7°(0.07), 48.9°(0.88), 58.2°(0.26), 61.5°(0.2), 69.8°(0.15), 74.7°(0.11), 82.3°(0.36), 88.8°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates an... | JVASP-74653 | 3.01 3.01 4.74
90 90 90
Be 0.000 0.000 0.765
Be 0.000 0.000 0.235
Cr 0.500 0.500 0.000
Si 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Er3Al3NiGe2.
The XRD pattern shows main peaks at: 14.8°(0.1), 21.5°(0.27), 25.8°(0.42), 29.9°(0.2), 33.8°(1.0), 37.1°(0.7), 39.9°(0.26), 43.8°(0.24), 45.6°(0.24), 51.6°(0.13), 55.4°(0.18), 60.2°(0.26), 60.8°(0.14), 65.0°(0.15), 72.7°(0.18), 73.2°(0.17), 74.1°(0.11), 76.1°(0.06), 84.4°(0.12).
Ge... | JVASP-16753 | 6.90 6.90 4.13
90 90 119
Er 0.597 0.597 0.500
Er 0.403 0.000 0.500
Er 0.000 0.403 0.500
Al 0.000 0.771 0.000
Al 0.229 0.229 0.000
Al 0.771 0.000 0.000
Ni 0.000 0.000 0.500
Ge 0.333 0.667 0.000
Ge 0.667 0.333 0.000 |
Below is a description of a material. | The chemical formula is: LuTiZn2.
The XRD pattern shows main peaks at: 23.2°(0.26), 26.9°(0.06), 38.4°(1.0), 45.4°(0.15), 55.5°(0.15), 60.9°(0.06), 69.5°(0.33), 82.3°(0.1), 87.0°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-156869 | 4.69 4.69 4.69
60 60 60
Lu 0.250 0.250 0.250
Ti 0.750 0.750 0.750
Zn 0.000 0.000 0.000
Zn 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Pr2CdGe2.
The XRD pattern shows main peaks at: 26.3°(0.14), 31.3°(0.55), 33.5°(1.0), 37.6°(0.3), 41.4°(0.2), 43.1°(0.09), 49.7°(0.12), 54.2°(0.21), 55.6°(0.11), 57.1°(0.18), 66.5°(0.19), 69.2°(0.05), 70.4°(0.14), 85.1°(0.06).
Generate atomic structure description with lattice lengths, angles, c... | JVASP-150684 | 7.57 7.57 4.36
90 90 90
Pr 0.180 0.680 0.500
Pr 0.820 0.320 0.500
Pr 0.320 0.180 0.500
Pr 0.680 0.820 0.500
Cd 0.000 0.000 0.000
Cd 0.500 0.500 0.000
Ge 0.619 0.119 0.000
Ge 0.381 0.881 0.000
Ge 0.881 0.619 0.000
Ge 0.119 0.381 0.000 |
Below is a description of a material. | The chemical formula is: Pr5Tl3.
The XRD pattern shows main peaks at: 28.4°(0.16), 29.1°(0.36), 30.0°(0.08), 31.7°(1.0), 32.5°(0.88), 34.9°(0.26), 40.4°(0.18), 41.0°(0.24), 41.7°(0.12), 58.7°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-166683 | 6.29 9.48 9.48
83 70 70
Pr 0.585 0.695 0.135
Pr 0.415 0.305 0.865
Pr 0.280 0.135 0.305
Pr 0.915 0.865 0.305
Pr 0.780 0.305 0.135
Pr 0.750 0.500 0.500
Pr 0.250 0.500 0.500
Pr 0.085 0.135 0.695
Pr 0.720 0.865 0.695
Pr 0.220 0.695 0.865
Tl 0.339 0.823 0.500
Tl 0.161 0.500 0.177
Tl 0.250 0.000 -0.000
Tl 0.839 0.500 0.823
T... |
Below is a description of a material. | The chemical formula is: DyCrO4.
The XRD pattern shows main peaks at: 18.8°(0.37), 25.0°(1.0), 31.5°(0.12), 33.7°(0.69), 35.6°(0.24), 40.6°(0.15), 45.2°(0.1), 48.2°(0.13), 49.8°(0.62), 51.2°(0.16), 57.8°(0.15), 62.7°(0.18), 65.0°(0.12), 67.3°(0.06), 70.7°(0.12), 74.2°(0.14), 81.8°(0.08), 85.1°(0.12), 86.2°(0.06), 87.2°... | JVASP-152368 | 5.94 5.94 5.94
116 106 106
Dy 0.750 0.125 0.875
Dy 0.250 0.875 0.125
Cr 0.750 0.625 0.375
Cr 0.250 0.375 0.625
O 0.566 0.800 0.366
O 0.934 0.800 0.733
O 0.066 0.200 0.267
O 0.434 0.200 0.634
O 0.934 0.634 0.200
O 0.566 0.267 0.200
O 0.066 0.366 0.800
O 0.434 0.733 0.800 |
Below is a description of a material. | The chemical formula is: MnPO4.
The XRD pattern shows main peaks at: 20.3°(0.64), 23.1°(0.33), 23.6°(0.45), 25.6°(0.36), 26.9°(0.41), 33.1°(1.0), 33.9°(0.47), 35.9°(0.54), 39.0°(0.5), 41.9°(0.24), 46.5°(0.16), 47.2°(0.16), 48.4°(0.21), 52.5°(0.18), 55.5°(0.19), 57.0°(0.18), 64.0°(0.13), 64.9°(0.25), 68.4°(0.2), 71.2°(0... | JVASP-141548 | 4.68 4.68 6.49
86 93 69
Mn 0.000 0.000 -0.000
Mn -0.000 -0.000 0.500
P 0.652 0.652 0.750
P 0.348 0.348 0.250
O 0.773 0.293 0.768
O 0.237 0.243 0.448
O 0.757 0.763 0.948
O 0.293 0.773 0.732
O 0.227 0.707 0.232
O 0.763 0.757 0.552
O 0.243 0.237 0.052
O 0.707 0.227 0.268 |
Below is a description of a material. | The chemical formula is: Mg2CoH5.
The XRD pattern shows main peaks at: 24.2°(1.0), 39.8°(0.85), 40.7°(0.37), 46.3°(0.16), 47.9°(0.3), 56.2°(0.07), 58.9°(0.13), 63.3°(0.12), 64.6°(0.06), 71.6°(0.13), 73.4°(0.25), 79.2°(0.06), 85.8°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates an... | JVASP-53775 | 4.44 4.44 6.55
90 90 90
Mg 0.500 0.500 0.000
Mg 0.000 0.000 0.000
Mg 0.500 0.500 0.500
Mg 0.000 0.000 0.500
Co 0.500 0.000 0.744
Co 0.000 0.500 0.256
H 0.500 0.000 0.504
H 0.000 0.500 0.496
H 0.743 0.243 0.774
H 0.257 0.243 0.774
H 0.743 0.757 0.774
H 0.257 0.757 0.774
H 0.757 0.257 0.226
H 0.243 0.257 0.226
H 0.757 0.... |
Below is a description of a material. | The chemical formula is: HfTiTc.
The XRD pattern shows main peaks at: 17.7°(0.19), 29.2°(0.26), 35.9°(0.06), 38.9°(1.0), 39.6°(0.49), 43.7°(0.09), 54.0°(0.06), 54.5°(0.07), 57.3°(0.15), 65.5°(0.06), 71.4°(0.33), 85.3°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-190289 | 3.22 3.22 10.00
90 90 90
Hf -0.000 -0.000 0.040
Hf 0.500 0.500 0.540
Tc 0.000 0.000 0.377
Tc 0.500 0.500 0.877
Ti 0.000 0.000 0.739
Ti 0.500 0.500 0.239 |
Below is a description of a material. | The chemical formula is: BeIr4Rh.
The XRD pattern shows main peaks at: 21.3°(0.77), 41.4°(1.0), 43.3°(0.77), 50.5°(0.26), 55.4°(0.18), 67.2°(0.29), 74.1°(0.29), 78.2°(0.14), 88.7°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-65070 | 5.12 5.12 5.12
60 60 60
Be 0.000 0.000 0.000
Ir 0.125 0.625 0.625
Ir 0.625 0.625 0.625
Ir 0.625 0.125 0.625
Ir 0.625 0.625 0.125
Rh 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: BeCr2Cu.
The XRD pattern shows main peaks at: 25.3°(0.15), 28.3°(0.28), 36.0°(0.11), 44.6°(1.0), 46.5°(0.07), 51.9°(0.43), 58.6°(0.05), 60.2°(0.06), 76.5°(0.25).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-71679 | 4.31 4.31 4.31
131 131 70
Be 0.750 0.250 0.500
Cr 0.000 0.000 0.000
Cr 0.250 0.750 0.500
Cu 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: SmScGe.
The XRD pattern shows main peaks at: 11.3°(0.26), 22.7°(0.15), 26.9°(0.62), 29.6°(0.94), 31.7°(0.92), 34.3°(0.38), 35.5°(1.0), 37.6°(0.83), 42.3°(0.86), 45.9°(0.1), 50.9°(0.23), 55.5°(0.34), 56.4°(0.5), 57.1°(0.28), 61.4°(0.26), 69.5°(0.25), 72.9°(0.12), 73.5°(0.2), 74.2°(0.21), 84.8°(0... | JVASP-158660 | 4.27 4.27 8.41
104 104 89
Sm 0.676 0.676 0.353
Sm 0.324 0.324 0.647
Sc 0.500 -0.000 0.000
Sc -0.000 0.500 -0.000
Ge 0.126 0.126 0.253
Ge 0.874 0.874 0.747 |
Below is a description of a material. | The chemical formula is: HoBi.
The XRD pattern shows main peaks at: 32.8°(1.0), 47.0°(0.17), 58.5°(0.39), 68.7°(0.12), 78.2°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-35994 | 3.86 3.86 3.86
90 90 90
Ho 0.000 0.000 0.000
Bi 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: FeO.
The XRD pattern shows main peaks at: 33.2°(0.24), 35.9°(0.79), 39.7°(0.06), 49.7°(1.0), 64.5°(0.24), 69.7°(0.07), 74.5°(0.12), 76.0°(0.08), 80.9°(0.13), 85.5°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-79307 | 2.89 5.01 6.13
90 76 30
Fe 0.509 0.993 0.499
Fe 0.509 0.493 0.999
O 0.009 0.576 0.749
O 0.009 0.410 0.249 |
Below is a description of a material. | The chemical formula is: MgTiCoS4.
The XRD pattern shows main peaks at: 15.3°(0.98), 25.1°(0.07), 29.2°(0.41), 29.5°(0.57), 35.5°(1.0), 35.9°(0.47), 46.8°(0.34), 50.6°(0.26), 51.4°(0.9), 63.5°(0.13), 64.4°(0.11), 75.1°(0.12), 76.0°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates a... | JVASP-122498 | 7.22 7.12 7.12
59 59 59
Mg 0.873 0.877 0.877
Mg 0.127 0.123 0.123
Ti 0.500 0.500 0.000
Ti 0.500 1.000 0.500
Co 0.500 0.500 0.500
Co -0.000 0.500 0.500
S 0.752 0.732 0.732
S 0.257 0.280 0.707
S 0.257 0.707 0.280
S 0.716 0.268 0.268
S 0.743 0.293 0.720
S 0.284 0.732 0.732
S 0.248 0.268 0.268
S 0.743 0.720 0.293 |
Below is a description of a material. | The chemical formula is: LiAuF6.
The XRD pattern shows main peaks at: 19.4°(0.41), 21.7°(1.0), 24.5°(0.79), 33.4°(0.35), 36.3°(0.14), 38.9°(0.21), 41.4°(0.43), 42.7°(0.15), 44.2°(0.14), 50.1°(0.13), 51.1°(0.09), 54.6°(0.26), 57.2°(0.14), 58.5°(0.15), 63.4°(0.12), 65.2°(0.1), 67.0°(0.09).
Generate atomic structure descr... | JVASP-61514 | 5.40 5.40 5.40
54 54 54
Li 0.500 0.500 0.500
Au 0.000 0.000 0.000
F 0.759 0.396 0.091
F 0.396 0.091 0.759
F 0.091 0.759 0.396
F 0.241 0.604 0.909
F 0.604 0.909 0.241
F 0.909 0.241 0.604 |
Below is a description of a material. | The chemical formula is: Li2Cu2F5.
The XRD pattern shows main peaks at: 16.5°(0.49), 22.2°(0.86), 24.5°(0.44), 27.5°(1.0), 30.0°(0.12), 33.3°(0.35), 33.9°(0.2), 38.8°(0.57), 42.4°(0.37), 45.3°(0.16), 47.0°(0.34), 49.3°(0.1), 50.9°(0.19), 51.6°(0.11), 53.5°(0.11), 54.7°(0.14), 56.9°(0.25), 58.4°(0.19), 63.8°(0.19), 69.2... | JVASP-52304 | 5.52 5.52 7.20
101 78 87
Li 0.263 0.280 0.021
Li 0.280 0.263 0.479
Li 0.720 0.737 0.521
Li 0.737 0.720 0.979
Cu 0.192 0.796 0.120
Cu 0.204 0.808 0.620
Cu 0.796 0.192 0.380
Cu 0.808 0.204 0.880
F 0.722 0.062 0.120
F 0.500 0.500 0.500
F 0.500 0.000 0.500
F 0.278 0.938 0.880
F -0.000 0.500 0.000
F 0.170 0.170 0.250
F 0.06... |
Below is a description of a material. | The chemical formula is: Be2InNi.
The XRD pattern shows main peaks at: 15.3°(0.69), 30.8°(0.14), 34.4°(1.0), 43.9°(0.87), 46.7°(0.19), 54.5°(0.09), 63.7°(0.13), 66.2°(0.2), 72.8°(0.09), 74.4°(0.18), 80.7°(0.2), 82.8°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-71397 | 2.92 2.92 5.81
90 90 90
Be 0.000 0.000 0.991
Be 0.500 0.500 0.186
In 0.000 0.000 0.502
Ni 0.500 0.500 0.821 |
Below is a description of a material. | The chemical formula is: V5P3N.
The XRD pattern shows main peaks at: 25.9°(0.05), 34.9°(0.08), 38.2°(0.14), 40.0°(0.2), 43.9°(1.0), 45.7°(0.19), 65.3°(0.11), 68.9°(0.16), 72.7°(0.08), 73.5°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-13973 | 6.88 6.88 5.14
90 90 120
V 0.230 0.230 0.750
V 0.333 0.667 0.000
V 0.667 0.333 0.000
V 0.333 0.667 0.500
V 0.000 0.770 0.750
V 0.667 0.333 0.500
V 0.230 -0.000 0.250
V 0.770 0.000 0.750
V -0.000 0.230 0.250
V 0.770 0.770 0.250
P 0.405 -0.000 0.750
P 0.595 0.000 0.250
P 0.405 0.405 0.250
P -0.000 0.405 0.750
P 0.595 0.5... |
Below is a description of a material. | The chemical formula is: Mn3OF5.
The XRD pattern shows main peaks at: 25.5°(1.0), 26.6°(0.82), 33.6°(0.95), 37.1°(0.06), 38.1°(0.22), 38.9°(0.19), 50.3°(0.33), 51.6°(0.28), 57.6°(0.2), 64.0°(0.11), 64.6°(0.25).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-42764 | 4.85 3.20 14.50
90 92 90
Mn 0.000 0.000 0.000
Mn 0.017 0.000 0.673
Mn 0.983 0.000 0.327
Mn 0.473 0.500 0.824
Mn 0.500 0.500 0.500
Mn 0.527 0.500 0.176
O 0.696 0.000 0.233
O 0.304 0.000 0.767
F 0.206 0.500 0.938
F 0.308 0.000 0.107
F 0.294 0.000 0.430
F 0.706 0.000 0.570
F 0.807 0.500 0.731
F 0.794 0.500 0.062
F 0.807 0... |
Below is a description of a material. | The chemical formula is: ErSnPd2.
The XRD pattern shows main peaks at: 37.7°(1.0), 54.4°(0.17), 68.1°(0.35), 80.5°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-15647 | 4.77 4.77 4.77
60 60 60
Er 0.500 0.500 0.500
Sn 0.000 0.000 0.000
Pd 0.750 0.750 0.750
Pd 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: Li5NiO3F.
The XRD pattern shows main peaks at: 13.9°(0.71), 19.6°(0.25), 24.3°(0.13), 26.0°(1.0), 27.8°(0.14), 31.4°(0.18), 37.2°(0.06), 39.9°(0.06), 43.8°(0.47), 44.9°(0.1), 49.4°(0.16), 57.6°(0.16), 66.0°(0.06), 67.9°(0.1), 68.3°(0.1), 78.1°(0.07).
Generate atomic structure description with l... | JVASP-142658 | 6.47 6.47 4.67
79 79 89
Li 0.160 0.583 0.382
Li 0.672 0.069 0.873
Li 0.931 0.328 0.127
Li 0.361 0.361 0.879
Li 0.639 0.639 0.121
Li 0.069 0.672 0.873
Li 0.840 0.417 0.618
Li 0.583 0.160 0.382
Li 0.417 0.840 0.618
Li 0.328 0.931 0.127
Ni 0.128 0.128 0.625
Ni 0.872 0.872 0.375
O 0.141 0.859 0.500
O 0.859 0.141 0.500
O 0.... |
Below is a description of a material. | The chemical formula is: Sm3Sn.
The XRD pattern shows main peaks at: 28.8°(0.06), 29.9°(0.5), 32.2°(0.31), 33.1°(1.0), 37.8°(0.24), 43.7°(0.07), 50.5°(0.11), 51.0°(0.27), 60.3°(0.07), 61.6°(0.29), 62.2°(0.16), 82.8°(0.05), 84.5°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and ... | JVASP-130534 | 3.58 3.58 11.13
90 90 119
Sm 0.000 0.000 0.500
Sm 0.333 0.667 0.235
Sm 0.667 0.333 0.765
Sn 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: CdInO3.
The XRD pattern shows main peaks at: 30.7°(1.0), 43.9°(0.34), 54.5°(0.43), 63.8°(0.19), 72.5°(0.17), 80.7°(0.07), 88.8°(0.2).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-180441 | 4.12 4.12 4.12
90 90 90
Cd 0.000 0.000 0.000
In 0.500 0.500 0.500
O 0.500 0.000 0.500
O 0.000 0.500 0.500
O 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: Te2Se.
The XRD pattern shows main peaks at: 23.4°(0.15), 28.3°(1.0), 39.3°(0.29), 40.0°(0.13), 40.9°(0.09), 41.7°(0.19), 44.5°(0.05), 47.7°(0.09), 50.5°(0.1), 58.6°(0.08), 64.7°(0.09), 65.6°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-130873 | 4.34 4.42 5.72
89 90 120
Te 0.281 0.013 0.661
Te 0.719 0.733 0.006
Se 0.000 0.254 0.333 |
Below is a description of a material. | The chemical formula is: LiZnP.
The XRD pattern shows main peaks at: 26.8°(1.0), 31.1°(0.2), 44.5°(0.79), 52.7°(0.4), 64.8°(0.13), 71.4°(0.13), 82.0°(0.25), 88.2°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-1687 | 4.07 4.07 4.07
60 60 59
Li 0.750 0.750 0.750
Zn 0.250 0.250 0.250
P 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: DyMgVS4.
The XRD pattern shows main peaks at: 14.5°(1.0), 16.7°(0.19), 23.7°(0.14), 27.5°(0.65), 27.9°(0.4), 33.4°(0.64), 33.8°(0.3), 36.6°(0.23), 44.1°(0.2), 44.4°(0.19), 47.4°(0.15), 48.3°(0.6), 59.5°(0.1), 60.5°(0.11), 70.2°(0.08).
Generate atomic structure description with lattice lengths, ... | JVASP-117241 | 7.67 7.54 7.54
59 59 59
Dy 0.500 0.500 0.500
Dy 0.000 0.500 0.500
Mg 0.878 0.872 0.872
Mg 0.122 0.128 0.128
V 0.500 0.500 -0.000
V 0.500 1.000 0.500
S 0.712 0.755 0.755
S 0.267 0.233 0.733
S 0.267 0.733 0.233
S 0.723 0.245 0.245
S 0.733 0.267 0.767
S 0.277 0.755 0.755
S 0.288 0.245 0.245
S 0.733 0.767 0.267 |
Below is a description of a material. | The chemical formula is: TaBe2Cl.
The XRD pattern shows main peaks at: 12.3°(1.0), 24.8°(0.43), 31.2°(0.49), 33.7°(0.37), 37.6°(0.06), 40.2°(0.54), 44.7°(0.22), 46.6°(0.15), 49.6°(0.15), 50.8°(0.07), 51.8°(0.23), 59.8°(0.08), 60.9°(0.13), 65.1°(0.07), 70.0°(0.11), 70.8°(0.09), 73.9°(0.09), 75.3°(0.08), 79.4°(0.16), 86.... | JVASP-72018 | 2.87 2.87 7.19
90 90 90
Ta 0.500 0.500 0.500
Be 0.000 0.000 0.739
Be 0.000 0.000 0.261
Cl 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: RbAg5Se3.
The XRD pattern shows main peaks at: 7.7°(1.0), 15.5°(0.12), 26.2°(0.08), 31.6°(0.48), 33.8°(0.8), 34.4°(0.43), 37.1°(0.17), 38.2°(0.94), 39.4°(0.12), 42.7°(0.51), 46.5°(0.19), 50.2°(0.13), 50.8°(0.12), 62.0°(0.09), 64.7°(0.15), 66.4°(0.08), 71.2°(0.13), 73.1°(0.11), 75.2°(0.08), 86.7... | JVASP-173242 | 5.99 5.99 11.43
90 90 90
Rb 0.250 0.750 0.500
Rb 0.750 0.250 0.500
Ag 0.053 0.553 0.809
Ag 0.553 0.053 0.191
Ag 0.947 0.053 0.809
Ag 0.053 0.947 0.191
Ag 0.750 0.750 0.000
Ag 0.447 0.553 0.191
Ag 0.250 0.250 0.000
Ag 0.553 0.447 0.809
Ag 0.947 0.447 0.191
Ag 0.447 0.947 0.809
Se 0.750 0.750 0.330
Se 0.250 0.250 0.670
S... |
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