instruction stringclasses 1
value | input stringlengths 172 433 | id stringlengths 7 12 | output stringlengths 43 458 |
|---|---|---|---|
Below is a description of a material. | The chemical formula is: CaYO2.
The XRD pattern shows main peaks at: 15.9°(0.26), 31.1°(0.15), 32.5°(0.54), 37.6°(1.0), 41.0°(0.07), 54.0°(0.3), 54.4°(0.33), 64.6°(0.18), 67.2°(0.05), 68.0°(0.15), 80.2°(0.09), 89.5°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-115813 | 5.90 5.90 5.90
33 33 33
Ca 0.500 0.500 0.500
Y 0.000 0.000 0.000
O 0.251 0.251 0.251
O 0.749 0.749 0.749 |
Below is a description of a material. | The chemical formula is: CoTePb2O6.
The XRD pattern shows main peaks at: 22.1°(0.13), 31.4°(1.0), 38.7°(0.12), 45.0°(0.27), 50.7°(0.07), 56.0°(0.37), 65.6°(0.18), 74.5°(0.17), 83.1°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-150580 | 5.69 5.69 5.69
59 60 59
Co 0.000 0.000 0.000
Te 0.500 0.500 0.500
Pb 0.250 0.250 0.250
Pb 0.750 0.750 0.750
O 0.254 0.746 0.746
O 0.746 0.254 0.254
O 0.254 0.254 0.746
O 0.746 0.746 0.254
O 0.254 0.746 0.254
O 0.746 0.254 0.746 |
Below is a description of a material. | The chemical formula is: AuBr.
The XRD pattern shows main peaks at: 14.2°(0.98), 25.4°(0.23), 28.7°(0.15), 29.8°(0.09), 30.7°(1.0), 35.8°(0.07), 37.0°(0.61), 42.7°(0.07), 45.2°(0.48), 47.5°(0.28), 50.3°(0.06), 52.2°(0.36), 61.9°(0.12), 63.9°(0.09), 70.7°(0.19), 74.4°(0.17), 81.6°(0.13).
Generate atomic structure descri... | JVASP-12103 | 4.24 4.24 12.46
90 90 90
Au 0.000 0.000 0.000
Au 0.500 0.000 0.500
Au 0.000 0.500 0.500
Au 0.500 0.500 0.000
Br 0.250 0.250 0.160
Br 0.250 0.250 0.660
Br 0.750 0.750 0.340
Br 0.750 0.750 0.840 |
Below is a description of a material. | The chemical formula is: Lu3Pt.
The XRD pattern shows main peaks at: 21.4°(0.1), 29.6°(0.06), 31.1°(0.21), 32.6°(1.0), 34.4°(0.25), 35.2°(0.23), 35.6°(0.23), 36.9°(0.15), 38.6°(0.07), 39.5°(0.27), 41.9°(0.12), 43.2°(0.15), 49.3°(0.14), 52.0°(0.06), 55.4°(0.09), 58.2°(0.1), 59.1°(0.09), 59.9°(0.12), 64.8°(0.06), 69.3°(0... | JVASP-171392 | 6.35 6.87 9.13
90 90 90
Lu 0.317 0.685 0.058
Lu 0.183 0.185 0.442
Lu 0.683 0.315 0.558
Lu 0.817 0.815 0.942
Lu 0.683 0.315 0.942
Lu 0.817 0.815 0.558
Lu 0.317 0.685 0.442
Lu 0.183 0.185 0.058
Lu 0.881 0.522 0.250
Lu 0.619 0.022 0.250
Lu 0.119 0.478 0.750
Lu 0.381 0.978 0.750
Pt 0.040 0.895 0.250
Pt 0.460 0.395 0.250
Pt... |
Below is a description of a material. | The chemical formula is: Sr3Co2Cl2O5.
The XRD pattern shows main peaks at: 7.3°(0.37), 14.7°(0.07), 29.6°(0.11), 32.8°(0.57), 34.9°(1.0), 39.9°(0.18), 47.1°(0.35), 60.0°(0.36), 68.8°(0.1), 78.4°(0.09), 79.6°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-143952 | 12.37 12.37 12.37
162 162 25
Sr 0.155 0.155 0.000
Sr 0.845 0.845 -0.000
Sr 0.000 0.000 0.000
Co 0.423 0.423 -0.000
Co 0.577 0.577 0.000
Cl 0.705 0.705 0.000
Cl 0.295 0.295 -0.000
O 0.587 0.087 0.500
O 0.413 0.913 0.500
O 0.087 0.587 0.500
O 0.500 0.500 0.000
O 0.913 0.413 0.500 |
Below is a description of a material. | The chemical formula is: TaAsRu.
The XRD pattern shows main peaks at: 25.8°(0.43), 29.9°(0.24), 42.8°(1.0), 50.6°(0.2), 53.1°(0.06), 62.1°(0.17), 68.4°(0.08), 70.4°(0.09), 78.3°(0.32), 84.1°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-160823 | 4.23 4.23 4.23
60 60 60
Ta 0.750 0.750 0.750
As 0.250 0.250 0.250
Ru 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: BaCa2Y.
The XRD pattern shows main peaks at: 18.7°(0.16), 21.2°(0.21), 23.2°(0.07), 28.4°(1.0), 30.2°(0.41), 35.7°(0.13), 37.9°(0.09), 43.2°(0.15), 43.8°(0.1), 47.4°(0.06), 49.2°(0.17), 52.5°(0.34), 58.8°(0.1), 63.2°(0.07), 70.2°(0.07), 71.1°(0.07), 83.5°(0.07), 86.1°(0.08).
Generate atomic str... | JVASP-69009 | 4.19 4.19 9.50
90 90 90
Ba 0.500 0.500 0.000
Ca 0.000 0.000 0.288
Ca 0.000 0.000 0.712
Y 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: MgSn7.
The XRD pattern shows main peaks at: 13.4°(0.05), 19.0°(0.05), 23.3°(1.0), 38.4°(0.77), 45.4°(0.54), 55.5°(0.15), 61.0°(0.23), 69.5°(0.29), 74.4°(0.16), 82.4°(0.1), 87.1°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-122583 | 6.62 6.62 6.62
90 90 90
Mg 0.000 0.000 0.500
Sn 0.248 0.248 0.748
Sn 0.000 0.500 0.000
Sn 0.248 0.752 0.252
Sn 0.500 0.000 0.000
Sn 0.752 0.248 0.252
Sn 0.500 0.500 0.500
Sn 0.752 0.752 0.748 |
Below is a description of a material. | The chemical formula is: NiO2.
The XRD pattern shows main peaks at: 20.3°(1.0), 37.4°(0.48), 39.3°(0.12), 46.2°(0.56), 51.0°(0.14), 62.3°(0.16), 66.1°(0.18), 68.8°(0.14), 69.9°(0.16), 84.5°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-8248 | 4.68 4.68 4.68
35 35 35
Ni 0.000 0.000 0.000
O 0.262 0.262 0.262
O 0.738 0.738 0.738 |
Below is a description of a material. | The chemical formula is: Ti2FeTcH.
The XRD pattern shows main peaks at: 20.8°(0.08), 29.6°(0.09), 41.2°(1.0), 42.3°(0.5), 58.1°(0.09), 61.4°(0.15), 74.4°(0.16), 76.6°(0.29), 89.5°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-187613 | 4.27 4.27 3.18
90 90 90
H 0.000 -0.000 0.000
Ti 0.000 0.500 -0.000
Ti 0.500 -0.000 0.000
Tc 0.500 0.500 0.500
Fe 0.000 -0.000 0.500 |
Below is a description of a material. | The chemical formula is: BaTa2P.
The XRD pattern shows main peaks at: 18.5°(0.16), 22.8°(0.11), 29.6°(0.1), 35.1°(1.0), 37.5°(0.2), 42.3°(0.27), 46.6°(0.06), 48.5°(0.07), 57.8°(0.23), 61.4°(0.1), 66.1°(0.16), 72.8°(0.21), 74.2°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and a... | JVASP-69101 | 5.67 5.67 5.67
135 135 64
Ba 0.250 0.750 0.500
Ta 0.000 0.000 0.000
Ta 0.500 0.500 0.000
P 0.750 0.250 0.500 |
Below is a description of a material. | The chemical formula is: Sm.
The XRD pattern shows main peaks at: 28.8°(0.37), 29.4°(0.16), 30.9°(0.53), 31.8°(1.0), 33.4°(0.84), 40.0°(0.17), 45.3°(0.1), 50.6°(0.4), 54.4°(0.24), 57.7°(0.19), 60.5°(0.46), 61.0°(0.16), 62.0°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom... | JVASP-8176 | 8.93 8.93 8.93
23 23 23
Sm 0.000 0.000 0.000
Sm 0.223 0.223 0.223
Sm 0.777 0.777 0.777 |
Below is a description of a material. | The chemical formula is: La3Ru.
The XRD pattern shows main peaks at: 27.7°(0.08), 29.1°(0.29), 29.9°(1.0), 31.2°(0.55), 32.3°(0.39), 33.0°(0.49), 34.9°(0.17), 36.2°(0.23), 37.8°(0.16), 39.1°(0.17), 40.1°(0.12), 47.0°(0.22), 51.4°(0.3), 54.0°(0.17), 55.0°(0.16), 56.3°(0.12), 56.9°(0.14), 57.7°(0.1), 64.2°(0.11), 75.2°(0... | JVASP-154709 | 6.55 7.39 10.06
90 90 90
La 0.829 0.172 0.931
La 0.329 0.328 0.069
La 0.171 0.828 0.431
La 0.671 0.672 0.569
La 0.171 0.828 0.069
La 0.671 0.672 0.931
La 0.829 0.172 0.569
La 0.329 0.328 0.431
La 0.349 0.046 0.750
La 0.849 0.454 0.250
La 0.651 0.954 0.250
La 0.151 0.546 0.750
Ru 0.558 0.381 0.750
Ru 0.058 0.119 0.250
R... |
Below is a description of a material. | The chemical formula is: MgTaBe2.
The XRD pattern shows main peaks at: 21.5°(1.0), 28.3°(0.42), 30.6°(0.67), 35.8°(0.53), 42.2°(0.73), 43.9°(0.3), 49.4°(0.22), 53.0°(0.29), 57.9°(0.29), 58.6°(0.06), 63.1°(0.11), 63.8°(0.1), 67.5°(0.14), 71.2°(0.12), 72.4°(0.12), 75.4°(0.06), 76.0°(0.12), 79.5°(0.21), 80.0°(0.11).
Gener... | JVASP-70848 | 4.13 4.13 3.15
90 90 90
Mg 0.500 0.500 0.500
Ta 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: CaYCd2.
The XRD pattern shows main peaks at: 23.7°(0.08), 33.8°(1.0), 48.5°(0.15), 60.5°(0.33), 71.1°(0.1), 81.1°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-102461 | 5.30 5.30 5.30
60 60 60
Ca 0.500 0.500 0.500
Y 0.000 0.000 0.000
Cd 0.750 0.750 0.750
Cd 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: InCoO3.
The XRD pattern shows main peaks at: 24.1°(0.09), 27.0°(0.15), 33.7°(0.17), 34.3°(1.0), 35.1°(0.21), 35.9°(0.08), 41.0°(0.05), 44.1°(0.06), 49.1°(0.13), 49.5°(0.17), 50.4°(0.05), 51.1°(0.09), 56.4°(0.12), 60.9°(0.1), 61.8°(0.1), 62.4°(0.2), 67.6°(0.06), 72.3°(0.11).
Generate atomic stru... | JVASP-46363 | 5.12 7.42 5.31
90 89 90
In 0.979 0.750 0.062
In 0.521 0.750 0.562
In 0.479 0.250 0.438
In 0.021 0.250 0.938
Co 0.000 0.000 0.500
Co 0.000 0.500 0.500
Co 0.500 0.000 0.000
Co 0.500 0.500 0.000
O 0.199 0.064 0.203
O 0.301 0.064 0.703
O 0.301 0.436 0.703
O 0.381 0.750 0.950
O 0.619 0.250 0.050
O 0.801 0.564 0.797
O 0.699 ... |
Below is a description of a material. | The chemical formula is: PHN.
The XRD pattern shows main peaks at: 20.6°(0.5), 24.9°(1.0), 27.6°(0.61), 32.5°(0.25), 34.7°(0.16), 37.6°(0.45), 41.9°(0.09), 43.2°(0.18), 49.4°(0.11), 51.1°(0.14), 55.7°(0.05), 57.5°(0.08), 59.1°(0.11), 63.2°(0.14), 70.7°(0.06), 77.6°(0.05).
Generate atomic structure description with latt... | JVASP-136749 | 5.37 4.31 3.57
90 90 143
P 0.838 0.764 0.000
H 0.311 0.107 0.000
N -0.149 0.130 0.000 |
Below is a description of a material. | The chemical formula is: SnIr.
The XRD pattern shows main peaks at: 25.5°(0.47), 30.1°(0.38), 41.0°(1.0), 45.0°(0.62), 52.4°(0.06), 55.1°(0.13), 62.5°(0.29), 65.8°(0.06), 73.8°(0.08), 80.2°(0.29), 83.2°(0.23).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-17585 | 4.03 4.03 5.68
90 90 120
Sn 0.667 0.333 0.250
Sn 0.333 0.667 0.750
Ir 0.000 0.000 0.500
Ir 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: HgS.
The XRD pattern shows main peaks at: 25.9°(1.0), 27.8°(0.24), 30.6°(0.83), 37.2°(0.08), 42.5°(0.25), 43.6°(0.13), 45.0°(0.32), 50.4°(0.17), 51.5°(0.24), 53.2°(0.14), 53.7°(0.14), 63.6°(0.09), 67.2°(0.07), 68.0°(0.13), 70.4°(0.08), 74.2°(0.08), 86.2°(0.08).
Generate atomic structure descrip... | JVASP-8198 | 4.25 4.25 9.63
90 90 120
Hg 0.269 0.269 0.000
Hg 0.000 0.731 0.333
Hg 0.731 0.000 0.667
S 0.514 0.514 0.500
S -0.000 0.486 0.833
S 0.486 -0.000 0.167 |
Below is a description of a material. | The chemical formula is: NaZnF4.
The XRD pattern shows main peaks at: 14.5°(0.84), 23.5°(0.86), 27.8°(1.0), 29.3°(0.4), 33.5°(0.42), 44.6°(0.14), 48.2°(0.46), 50.6°(0.14), 51.1°(0.48), 54.3°(0.16), 56.5°(0.27), 57.4°(0.23), 60.9°(0.06), 67.8°(0.14), 70.5°(0.13), 72.8°(0.27), 78.1°(0.08), 80.4°(0.06), 81.1°(0.09), 87.4°... | JVASP-136590 | 3.78 3.78 6.09
90 90 90
Na 0.000 0.000 0.000
Zn 0.500 0.500 0.500
F 0.500 0.000 0.500
F 0.000 0.500 0.500
F 0.500 0.500 0.181
F 0.500 0.500 0.819 |
Below is a description of a material. | The chemical formula is: K4BeP2.
The XRD pattern shows main peaks at: 21.2°(0.07), 23.3°(0.15), 25.7°(0.33), 31.1°(0.66), 32.3°(1.0), 40.6°(0.09), 41.7°(0.08), 45.5°(0.22), 56.9°(0.21), 57.6°(0.15), 67.6°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-3060 | 8.96 8.96 8.96
36 36 36
K 0.623 0.623 0.623
K 0.377 0.377 0.377
K 0.791 0.791 0.791
K 0.209 0.209 0.209
Be 0.000 0.000 0.000
P 0.921 0.921 0.921
P 0.079 0.079 0.079 |
Below is a description of a material. | The chemical formula is: InNF.
The XRD pattern shows main peaks at: 13.6°(1.0), 27.3°(0.37), 29.7°(0.94), 32.8°(0.52), 40.8°(0.54), 41.5°(0.11), 42.5°(0.33), 44.8°(0.21), 51.3°(0.28), 51.9°(0.24), 61.0°(0.13), 61.7°(0.1), 63.5°(0.08), 65.1°(0.11), 68.8°(0.1), 70.0°(0.13), 71.7°(0.11), 73.1°(0.07), 76.7°(0.15), 84.8°(0.... | JVASP-118257 | 3.01 3.01 6.52
90 90 90
In 0.000 0.000 0.392
N 0.000 0.000 0.736
F 0.000 0.000 -0.051 |
Below is a description of a material. | The chemical formula is: HoGa3Ni2.
The XRD pattern shows main peaks at: 30.0°(0.47), 34.5°(0.29), 40.1°(0.4), 41.5°(1.0), 45.5°(0.24), 46.3°(0.07), 58.4°(0.12), 59.1°(0.14), 62.2°(0.21), 66.6°(0.23), 72.8°(0.18), 80.7°(0.06), 81.4°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates a... | JVASP-162959 | 5.20 5.20 3.99
90 90 120
Ga 0.500 0.000 0.500
Ga 0.000 0.500 0.500
Ga 0.500 0.500 0.500
Ho 0.000 0.000 -0.000
Ni 0.667 0.333 -0.000
Ni 0.333 0.667 0.000 |
Below is a description of a material. | The chemical formula is: GaPS4.
The XRD pattern shows main peaks at: 19.4°(1.0), 27.3°(0.21), 29.3°(0.33), 36.9°(0.09), 37.8°(0.07), 38.8°(0.19), 39.5°(0.19), 42.1°(0.1), 46.5°(0.3), 49.1°(0.05), 52.0°(0.09), 54.6°(0.09), 57.2°(0.08), 60.7°(0.15), 61.9°(0.08), 70.0°(0.06), 75.3°(0.05), 77.6°(0.05).
Generate atomic stru... | JVASP-121053 | 7.45 7.45 7.45
141 141 55
Ga 0.000 0.000 0.000
P 0.250 0.750 0.500
S 0.854 0.140 0.714
S 0.425 0.140 0.286
S 0.860 0.575 0.714
S 0.860 0.146 0.286 |
Below is a description of a material. | The chemical formula is: LiGaAu.
The XRD pattern shows main peaks at: 11.6°(1.0), 23.3°(0.24), 32.3°(0.54), 34.4°(0.34), 35.2°(0.23), 40.2°(0.24), 46.3°(0.21), 47.9°(0.13), 48.5°(0.37), 52.4°(0.12), 58.6°(0.06), 59.4°(0.18), 67.5°(0.07), 70.3°(0.06), 76.8°(0.09), 78.0°(0.07), 78.5°(0.09), 81.6°(0.07), 87.4°(0.14).
Gene... | JVASP-118932 | 2.77 2.77 7.65
90 90 90
Li 0.000 0.000 -0.097
Ga 0.000 0.000 0.570
Au 0.000 0.000 0.226 |
Below is a description of a material. | The chemical formula is: ZrCuP2.
The XRD pattern shows main peaks at: 9.5°(0.19), 26.4°(0.34), 28.6°(0.06), 31.2°(0.19), 36.4°(0.07), 38.1°(0.16), 38.5°(0.18), 40.2°(1.0), 46.2°(0.16), 50.4°(0.34), 55.3°(0.05), 57.8°(0.07), 60.5°(0.06), 61.4°(0.07), 65.2°(0.14), 70.8°(0.09), 74.0°(0.1), 86.7°(0.06), 87.7°(0.2).
Generat... | JVASP-191370 | 3.62 3.62 9.35
90 90 90
P 0.750 0.250 0.675
P 0.250 0.750 0.325
P 0.250 0.250 -0.000
P 0.750 0.750 -0.000
Cu 0.250 0.250 0.500
Cu 0.750 0.750 0.500
Zr 0.750 0.250 0.218
Zr 0.250 0.750 0.782 |
Below is a description of a material. | The chemical formula is: SrCa2Mg.
The XRD pattern shows main peaks at: 18.3°(0.2), 30.2°(1.0), 35.5°(0.11), 43.2°(0.18), 47.3°(0.06), 53.6°(0.37), 62.8°(0.1), 71.2°(0.15), 87.1°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-161335 | 5.92 5.92 5.92
60 60 60
Sr 0.750 0.750 0.750
Ca 0.500 0.500 0.500
Ca 0.000 0.000 0.000
Mg 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: TiBe2Rh.
The XRD pattern shows main peaks at: 18.5°(1.0), 23.0°(0.2), 34.0°(0.07), 35.2°(0.05), 37.5°(0.22), 39.2°(0.39), 42.9°(0.15), 43.7°(0.43), 47.1°(0.17), 55.4°(0.27), 58.3°(0.11), 76.1°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-80557 | 9.59 5.41 5.41
45 27 27
Ti 0.000 0.000 0.000
Be 0.730 0.000 0.000
Be 0.270 -0.000 -0.000
Rh 0.500 -0.000 -0.000 |
Below is a description of a material. | The chemical formula is: Zr6TlGa.
The XRD pattern shows main peaks at: 15.9°(0.17), 32.1°(0.44), 36.1°(0.91), 39.6°(1.0), 59.9°(0.18), 62.4°(0.37), 67.2°(0.17), 78.7°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-194840 | 7.88 7.88 5.57
44 45 60
Zr -0.000 0.500 0.747
Zr 0.753 -0.000 0.747
Zr 0.500 0.247 0.253
Zr 0.247 0.000 0.253
Zr 0.000 0.500 0.253
Zr 0.500 0.753 0.747
Tl 0.500 0.500 0.500
Ga 0.000 -0.000 -0.000 |
Below is a description of a material. | The chemical formula is: V2SiRu.
The XRD pattern shows main peaks at: 26.0°(0.17), 30.1°(0.14), 43.1°(1.0), 51.1°(0.08), 62.6°(0.15), 79.1°(0.33).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-185076 | 4.19 4.19 4.19
60 60 60
V 0.000 0.000 -0.000
V 0.250 0.250 0.250
Si 0.750 0.750 0.750
Ru 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Li2CeO3.
The XRD pattern shows main peaks at: 18.7°(0.76), 21.8°(1.0), 25.1°(0.22), 31.5°(0.62), 33.5°(0.41), 34.6°(0.17), 37.8°(0.09), 40.0°(0.22), 43.2°(0.34), 44.5°(0.17), 46.0°(0.26), 47.8°(0.08), 51.8°(0.3), 55.3°(0.08), 56.7°(0.14), 58.8°(0.12), 62.6°(0.18), 63.6°(0.07), 67.2°(0.08), 70.5... | JVASP-49838 | 4.51 5.26 3.54
90 90 64
Li 0.655 0.689 0.500
Li 0.345 0.311 0.500
Ce 0.000 0.000 0.000
O 0.146 0.708 0.500
O 0.854 0.292 0.500
O 0.500 0.000 0.000 |
Below is a description of a material. | The chemical formula is: SrBeOs.
The XRD pattern shows main peaks at: 19.4°(0.11), 26.3°(0.38), 32.9°(1.0), 39.3°(0.15), 46.4°(0.27), 47.9°(0.16), 50.7°(0.05), 54.1°(0.05), 58.0°(0.19), 62.4°(0.23), 67.2°(0.13), 68.9°(0.05), 77.4°(0.17), 85.6°(0.07), 87.2°(0.06).
Generate atomic structure description with lattice lengt... | JVASP-70641 | 3.91 3.91 4.59
90 90 120
Sr 0.667 0.333 0.667
Be 0.000 0.000 0.166
Os 0.333 0.667 0.167 |
Below is a description of a material. | The chemical formula is: Zr2Al3C4.
The XRD pattern shows main peaks at: 7.9°(1.0), 31.8°(0.2), 33.0°(0.7), 36.8°(0.44), 54.6°(0.33), 55.3°(0.05), 65.3°(0.1), 67.7°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-86055 | 3.36 3.36 22.35
90 90 120
Zr 0.333 0.667 0.058
Zr 0.667 0.333 0.942
Zr 0.333 0.667 0.442
Zr 0.667 0.333 0.558
Al 0.333 0.667 0.750
Al 0.667 0.333 0.250
Al 0.000 0.000 0.159
Al 0.000 0.000 0.841
Al 0.000 0.000 0.341
Al 0.000 0.000 0.659
C 0.000 0.000 0.500
C 0.667 0.333 0.372
C 0.333 0.667 0.628
C 0.333 0.667 0.872
C 0.... |
Below is a description of a material. | The chemical formula is: AlTlO2.
The XRD pattern shows main peaks at: 12.3°(1.0), 24.8°(0.43), 31.2°(0.28), 33.6°(0.64), 37.6°(0.07), 40.3°(0.39), 44.7°(0.23), 46.5°(0.18), 49.6°(0.23), 50.9°(0.07), 51.8°(0.23), 59.8°(0.08), 60.9°(0.12), 65.0°(0.08), 70.0°(0.1), 70.7°(0.09), 73.9°(0.09), 75.2°(0.14), 79.3°(0.12), 86.0°... | JVASP-139479 | 2.87 2.87 7.17
90 90 90
Al 0.500 0.500 0.596
Tl 0.000 0.000 0.043
O 0.000 0.000 0.536
O 0.500 0.500 0.834 |
Below is a description of a material. | The chemical formula is: AgHgPd2.
The XRD pattern shows main peaks at: 23.7°(0.06), 39.2°(1.0), 56.6°(0.16), 71.0°(0.32), 84.3°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-42854 | 4.60 4.60 4.60
60 60 60
Ag 0.250 0.250 0.250
Hg 0.750 0.750 0.750
Pd 0.500 0.500 0.500
Pd 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: LiThZn2.
The XRD pattern shows main peaks at: 22.1°(0.82), 25.6°(0.07), 36.5°(1.0), 43.1°(0.44), 52.6°(0.18), 57.8°(0.2), 65.8°(0.38), 70.3°(0.15), 77.7°(0.11), 82.0°(0.14), 89.0°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-156942 | 4.92 4.92 4.92
60 60 60
Li 0.250 0.250 0.250
Th 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: MgSnO3.
The XRD pattern shows main peaks at: 19.1°(0.8), 27.2°(0.98), 29.4°(0.51), 35.3°(1.0), 38.8°(0.43), 40.5°(0.3), 43.6°(0.36), 49.4°(0.19), 53.5°(0.84), 56.0°(0.12), 59.8°(0.06), 61.0°(0.1), 63.4°(0.2), 64.5°(0.12), 68.0°(0.33), 71.4°(0.14), 74.7°(0.13), 78.0°(0.15), 81.3°(0.11), 87.5°(0.... | JVASP-118714 | 3.04 4.64 4.64
90 90 90
Mg 0.000 0.898 0.898
Sn 0.500 0.421 0.421
O 0.500 0.105 0.105
O 0.500 -0.004 0.600
O 0.500 0.600 -0.004 |
Below is a description of a material. | The chemical formula is: PrH3O3.
The XRD pattern shows main peaks at: 15.8°(0.94), 27.5°(0.7), 28.5°(1.0), 31.8°(0.17), 40.0°(0.75), 42.6°(0.11), 48.2°(0.12), 48.6°(0.27), 49.2°(0.66), 56.4°(0.19), 56.7°(0.11), 64.7°(0.12), 70.8°(0.15), 78.4°(0.11).
Generate atomic structure description with lattice lengths, angles, co... | JVASP-50984 | 6.49 3.78 6.49
90 119 90
Pr 0.667 0.250 0.333
Pr 0.333 0.750 0.667
H 0.728 0.250 0.861
H 0.134 0.250 0.272
H 0.138 0.250 0.867
H 0.272 0.750 0.139
H 0.866 0.750 0.728
H 0.862 0.750 0.133
O 0.610 0.250 0.692
O 0.082 0.250 0.390
O 0.308 0.250 0.918
O 0.390 0.750 0.308
O 0.918 0.750 0.610
O 0.692 0.750 0.082 |
Below is a description of a material. | The chemical formula is: YbTaRu2.
The XRD pattern shows main peaks at: 27.9°(0.08), 39.8°(1.0), 57.6°(0.16), 72.3°(0.32), 85.8°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-41367 | 4.53 4.53 4.53
60 60 60
Yb 0.750 0.750 0.750
Ta 0.250 0.250 0.250
Ru 0.500 0.500 0.500
Ru -0.000 -0.000 -0.000 |
Below is a description of a material. | The chemical formula is: Be2GeW.
The XRD pattern shows main peaks at: 22.2°(0.14), 28.2°(1.0), 36.9°(0.08), 42.9°(0.3), 43.5°(0.64), 45.3°(0.14), 53.2°(0.18), 61.3°(0.23), 64.1°(0.1), 70.6°(0.15), 72.4°(0.14), 78.6°(0.06), 82.4°(0.1), 88.0°(0.08).
Generate atomic structure description with lattice lengths, angles, coor... | JVASP-69387 | 4.69 4.69 4.69
136 136 62
Be 0.000 0.000 0.000
Be 0.250 0.750 0.500
Ge 0.500 0.500 0.000
W 0.750 0.250 0.500 |
Below is a description of a material. | The chemical formula is: Ce4ThO10.
The XRD pattern shows main peaks at: 28.2°(1.0), 32.6°(0.3), 46.8°(0.44), 55.5°(0.29), 68.4°(0.06), 75.5°(0.06), 77.8°(0.06), 87.0°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-172806 | 3.88 13.99 3.88
97 89 82
Ce 0.398 0.203 0.602
Ce 0.800 0.401 0.200
Ce 0.200 0.599 0.800
Ce 0.602 0.797 0.398
Th -0.000 0.000 0.000
O 0.651 0.698 0.849
O 0.052 0.896 0.448
O 0.448 0.104 0.052
O 0.849 0.302 0.651
O 0.250 0.500 0.250
O 0.552 0.896 0.948
O 0.948 0.104 0.552
O 0.349 0.302 0.151
O 0.750 0.500 0.750
O 0.151 0... |
Below is a description of a material. | The chemical formula is: BiO.
The XRD pattern shows main peaks at: 27.2°(1.0), 29.7°(0.27), 32.3°(0.58), 44.6°(0.31), 48.0°(0.25), 53.1°(0.16), 54.6°(0.31), 56.2°(0.12), 57.5°(0.12), 67.6°(0.09), 71.8°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-18476 | 3.81 3.81 3.81
64 64 64
Bi 0.001 0.001 0.001
O 0.274 0.274 0.274 |
Below is a description of a material. | The chemical formula is: FeBiO4.
The XRD pattern shows main peaks at: 18.7°(0.57), 26.3°(0.54), 26.7°(0.53), 27.3°(0.15), 33.3°(1.0), 37.9°(0.26), 38.6°(0.24), 42.3°(0.15), 47.3°(0.17), 51.1°(0.42), 51.5°(0.34), 54.2°(0.08), 55.0°(0.1), 56.4°(0.09), 62.0°(0.1), 63.3°(0.13), 65.5°(0.22), 69.9°(0.1), 77.7°(0.09), 78.7°(0... | JVASP-186046 | 4.75 4.75 3.27
90 90 89
Fe 0.500 0.500 0.500
Bi 0.000 -0.000 0.000
O 0.330 0.330 0.000
O 0.670 0.670 0.000
O 0.226 0.774 0.500
O 0.774 0.226 0.500 |
Below is a description of a material. | The chemical formula is: AlFe2W.
The XRD pattern shows main peaks at: 26.4°(0.6), 30.6°(0.1), 43.8°(1.0), 51.8°(0.29), 63.6°(0.17), 70.1°(0.12), 80.4°(0.34), 86.4°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-41842 | 4.14 4.14 4.14
59 59 59
Al 0.250 0.250 0.250
Fe 0.000 0.000 0.000
Fe 0.500 0.500 0.500
W 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: Rb2TlIrF6.
The XRD pattern shows main peaks at: 19.3°(0.27), 27.4°(1.0), 39.1°(0.3), 48.4°(0.4), 56.5°(0.19), 63.9°(0.19), 70.9°(0.07), 77.6°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-102088 | 6.51 6.51 6.51
60 60 60
Rb 0.750 0.750 0.750
Rb 0.250 0.250 0.250
Tl 0.500 0.500 0.500
Ir 0.000 0.000 0.000
F 0.779 0.221 0.221
F 0.221 0.221 0.779
F 0.221 0.779 0.779
F 0.221 0.779 0.221
F 0.779 0.221 0.779
F 0.779 0.779 0.221 |
Below is a description of a material. | The chemical formula is: Zr2AgPdF11.
The XRD pattern shows main peaks at: 20.9°(1.0), 25.3°(0.49), 25.9°(1.0), 33.0°(0.39), 33.9°(0.21), 42.5°(0.24), 45.0°(0.34), 46.0°(0.15), 49.8°(0.28), 50.4°(0.21), 51.0°(0.16), 51.6°(0.06), 52.0°(0.1), 53.2°(0.13), 56.7°(0.08), 63.1°(0.1), 64.1°(0.1), 69.3°(0.08).
Generate atomic s... | JVASP-11209 | 5.91 5.91 7.90
69 69 73
Zr 0.493 0.493 0.237
Zr 0.507 0.507 0.763
Ag 0.000 0.000 0.000
Pd -0.000 -0.000 0.500
F 0.804 0.234 0.691
F 0.766 0.196 0.309
F 0.196 0.766 0.309
F 0.234 0.804 0.691
F 0.500 0.500 0.500
F 0.336 0.664 0.000
F 0.664 0.336 -0.000
F 0.255 0.255 0.344
F 0.745 0.745 0.656
F 0.275 0.275 0.892
F 0.725 0... |
Below is a description of a material. | The chemical formula is: RbTmO3.
The XRD pattern shows main peaks at: 20.1°(0.2), 28.5°(1.0), 40.8°(0.32), 45.9°(0.09), 50.5°(0.42), 59.1°(0.18), 66.9°(0.18), 74.3°(0.06), 81.4°(0.22).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-37666 | 4.42 4.42 4.42
90 90 90
Rb 0.000 0.000 0.000
Tm 0.500 0.500 0.500
O 0.500 0.500 0.000
O 0.500 0.000 0.500
O 0.000 0.500 0.500 |
Below is a description of a material. | The chemical formula is: YNiC2.
The XRD pattern shows main peaks at: 24.6°(0.13), 29.6°(0.17), 35.2°(1.0), 39.0°(0.2), 39.9°(0.18), 49.6°(0.18), 50.5°(0.12), 50.8°(0.11), 56.2°(0.07), 57.0°(0.11), 66.5°(0.07), 67.3°(0.07), 69.5°(0.11), 73.8°(0.09), 74.5°(0.07), 81.2°(0.09), 85.4°(0.07).
Generate atomic structure descri... | JVASP-79602 | 3.59 3.77 3.77
106 90 90
Y 0.000 0.998 0.002
Ni 0.500 0.385 0.615
C 0.500 0.848 0.454
C 0.500 0.546 0.152 |
Below is a description of a material. | The chemical formula is: C3S.
The XRD pattern shows main peaks at: 13.6°(0.64), 27.5°(1.0), 37.4°(0.3), 40.0°(0.39), 47.0°(0.28), 56.7°(0.09), 57.3°(0.12), 67.5°(0.14), 69.9°(0.09), 74.4°(0.22).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-124888 | 2.77 2.77 6.50
90 90 120
C 0.000 0.000 0.500
C 0.667 0.333 0.000
C 0.333 0.667 0.500
S 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: YAlO.
The XRD pattern shows main peaks at: 13.7°(1.0), 18.6°(0.47), 19.4°(0.28), 23.2°(0.59), 27.0°(0.25), 27.5°(0.16), 30.9°(0.22), 33.5°(0.2), 36.3°(0.3), 37.8°(0.07), 40.4°(0.12), 41.8°(0.09), 42.8°(0.07), 44.2°(0.11), 46.2°(0.13), 47.4°(0.08), 48.4°(0.16), 49.6°(0.11), 54.6°(0.11), 59.5°(0.... | JVASP-137012 | 6.48 6.48 4.76
90 90 90
Y 0.002 0.355 0.000
Al -0.041 -0.008 0.000
O 0.248 0.004 0.000 |
Below is a description of a material. | The chemical formula is: BiPd2Au.
The XRD pattern shows main peaks at: 26.7°(0.11), 38.1°(1.0), 54.9°(0.19), 68.8°(0.37), 81.4°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-105124 | 4.73 4.73 4.73
60 60 60
Bi 0.000 0.000 0.000
Pd 0.250 0.250 0.250
Pd 0.750 0.750 0.750
Au 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: CuTeO3.
The XRD pattern shows main peaks at: 21.4°(0.14), 29.6°(0.36), 31.2°(0.36), 32.8°(1.0), 38.9°(0.08), 43.5°(0.25), 50.6°(0.14), 54.6°(0.32), 56.5°(0.3), 59.7°(0.12), 60.6°(0.1), 61.4°(0.06), 68.9°(0.12), 70.5°(0.06), 73.0°(0.15), 86.7°(0.09).
Generate atomic structure description with la... | JVASP-89079 | 5.74 6.04 7.22
90 90 90
Cu 0.000 0.500 0.500
Cu 0.500 0.000 0.500
Cu 0.500 0.000 0.000
Cu 0.000 0.500 0.000
Te 0.003 0.011 0.750
Te 0.497 0.511 0.750
Te 0.997 0.989 0.250
Te 0.503 0.489 0.250
O 0.339 0.951 0.750
O 0.839 0.549 0.250
O 0.407 0.699 0.442
O 0.407 0.699 0.058
O 0.907 0.801 0.942
O 0.093 0.199 0.442
O 0.593 ... |
Below is a description of a material. | The chemical formula is: BaSb5.
The XRD pattern shows main peaks at: 27.5°(1.0), 32.3°(0.08), 38.1°(0.31), 40.6°(0.34), 44.5°(0.06), 49.7°(0.2), 56.8°(0.1), 66.0°(0.17), 72.1°(0.1), 73.8°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-124635 | 4.45 4.45 11.98
90 90 120
Ba 0.000 0.000 0.250
Sb 0.667 0.333 0.048
Sb 0.667 0.333 0.595
Sb 0.333 0.667 0.452
Sb 0.333 0.667 0.905
Sb 0.000 0.000 0.750 |
Below is a description of a material. | The chemical formula is: Ba2AlO.
The XRD pattern shows main peaks at: 22.9°(0.58), 32.5°(1.0), 40.1°(0.19), 46.7°(0.19), 52.6°(0.28), 58.1°(0.36), 68.2°(0.11), 72.9°(0.14), 77.6°(0.16), 82.1°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-182992 | 5.50 5.50 5.50
60 60 60
Ba 0.750 0.750 0.750
Ba 0.250 0.250 0.250
Al -0.000 -0.000 -0.000
O 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Ce2AlFe3.
The XRD pattern shows main peaks at: 20.8°(0.57), 34.2°(0.71), 35.0°(1.0), 40.4°(0.92), 40.7°(0.89), 41.4°(0.74), 42.4°(0.33), 61.2°(0.13), 61.7°(0.37), 66.1°(0.34), 67.8°(0.08), 72.0°(0.29), 73.9°(0.24).
Generate atomic structure description with lattice lengths, angles, coordinates ... | JVASP-100848 | 5.24 5.24 5.13
90 59 120
Ce 0.517 0.759 0.724
Ce 0.983 0.991 0.026
Al 0.750 0.375 0.875
Fe 0.250 0.375 0.375
Fe 0.250 0.875 0.375
Fe 0.750 0.375 0.375 |
Below is a description of a material. | The chemical formula is: YPd3C.
The XRD pattern shows main peaks at: 36.3°(1.0), 42.2°(0.51), 61.2°(0.32), 73.2°(0.33), 77.1°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-35807 | 4.29 4.29 4.29
90 90 90
Y 0.000 0.000 0.000
Pd 0.000 0.500 0.500
Pd 0.500 0.500 0.000
Pd 0.500 0.000 0.500
C 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: ScIO.
The XRD pattern shows main peaks at: 7.7°(0.85), 15.3°(0.17), 23.1°(0.1), 25.8°(0.35), 27.0°(0.49), 27.6°(0.48), 30.8°(0.7), 34.9°(0.36), 35.4°(0.11), 38.2°(0.12), 40.6°(1.0), 44.4°(0.14), 47.8°(0.15), 49.3°(0.13), 53.0°(0.12), 54.6°(0.12), 62.6°(0.22), 64.1°(0.1), 66.4°(0.1), 70.3°(0.1).... | JVASP-115116 | 3.45 3.36 11.55
90 90 90
Sc 0.000 0.500 0.652
Sc 0.500 0.500 0.992
I 0.500 0.000 0.194
I 0.500 0.500 0.467
O 0.000 0.000 -0.033
O 0.000 0.000 0.729 |
Below is a description of a material. | The chemical formula is: AsOF.
The XRD pattern shows main peaks at: 29.5°(1.0), 34.5°(0.1), 41.9°(0.09), 48.9°(0.41), 49.6°(0.25), 57.6°(0.08), 58.8°(0.27), 72.8°(0.07), 79.4°(0.07), 80.4°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-114425 | 3.68 3.68 5.33
90 90 90
As 0.500 0.000 0.290
As 0.000 0.500 0.710
O 0.000 0.000 0.500
O 0.500 0.500 0.500
F 0.000 0.000 0.000
F 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: Sr2TaO3.
The XRD pattern shows main peaks at: 12.1°(0.29), 26.2°(0.14), 31.5°(1.0), 36.3°(0.62), 36.8°(0.26), 38.4°(0.07), 40.2°(0.06), 52.3°(0.21), 52.7°(0.4), 62.3°(0.3), 63.1°(0.15), 65.7°(0.2), 77.1°(0.06), 85.7°(0.06), 88.4°(0.09).
Generate atomic structure description with lattice lengths... | JVASP-183431 | 7.72 7.72 7.72
153 153 37
Sr 0.661 0.661 0.000
Sr 0.339 0.339 -0.000
Ta 0.000 0.000 -0.000
O 0.500 0.500 -0.000
O 0.151 0.151 -0.000
O 0.849 0.849 0.000 |
Below is a description of a material. | The chemical formula is: Nd3Sb.
The XRD pattern shows main peaks at: 9.0°(0.07), 25.1°(0.08), 26.7°(0.54), 27.3°(0.08), 31.1°(1.0), 36.7°(0.08), 37.4°(0.12), 44.2°(0.35), 44.9°(0.19), 52.4°(0.09), 55.0°(0.18), 58.7°(0.13), 64.9°(0.07), 70.9°(0.07), 73.2°(0.16), 81.9°(0.07).
Generate atomic structure description with la... | JVASP-132342 | 4.10 4.10 9.80
90 90 120
Nd 0.000 0.000 0.500
Nd 0.333 0.667 0.203
Nd 0.667 0.333 0.797
Sb 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Y3PbN.
The XRD pattern shows main peaks at: 18.4°(0.11), 26.2°(0.19), 32.2°(1.0), 37.4°(0.57), 42.0°(0.07), 46.2°(0.09), 53.9°(0.4), 64.2°(0.43), 67.4°(0.13), 79.7°(0.06), 88.6°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-187969 | 4.81 4.81 4.81
90 90 90
Pb 0.000 0.000 0.000
Y 0.500 0.500 0.000
Y 0.500 0.000 0.500
Y 0.000 0.500 0.500
N 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: BaFe2Se3.
The XRD pattern shows main peaks at: 12.3°(0.09), 24.7°(0.3), 29.8°(1.0), 33.0°(0.11), 34.7°(0.18), 35.3°(0.06), 36.5°(0.11), 40.1°(0.07), 42.5°(0.07), 45.5°(0.28), 49.0°(0.13), 50.6°(0.1), 52.4°(0.19), 53.6°(0.07), 56.9°(0.13), 58.4°(0.07), 89.4°(0.06).
Generate atomic structure desc... | JVASP-150994 | 7.44 7.44 5.43
90 90 104
Ba 0.319 0.681 0.750
Ba 0.681 0.319 0.250
Fe 0.139 0.139 0.000
Fe 0.861 0.861 0.500
Fe 0.861 0.861 0.000
Fe 0.139 0.139 0.500
Se 0.866 0.134 0.750
Se 0.134 0.866 0.250
Se 0.411 0.169 0.750
Se 0.589 0.831 0.250
Se 0.831 0.589 0.750
Se 0.169 0.411 0.250 |
Below is a description of a material. | The chemical formula is: NbZnOs2.
The XRD pattern shows main peaks at: 28.5°(0.18), 40.8°(1.0), 50.5°(0.06), 59.0°(0.16), 66.9°(0.07), 74.2°(0.33), 88.3°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-158765 | 4.43 4.43 4.43
60 60 60
Nb 0.250 0.250 0.250
Zn 0.750 0.750 0.750
Os 0.000 0.000 0.000
Os 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: ZrNi2As.
The XRD pattern shows main peaks at: 41.6°(1.0), 60.3°(0.16), 75.9°(0.29).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-179030 | 4.34 4.34 4.34
60 60 60
Zr 0.500 0.500 0.500
Ni 0.250 0.250 0.250
Ni 0.750 0.750 0.750
As 0.000 -0.000 0.000 |
Below is a description of a material. | The chemical formula is: AsPd3.
The XRD pattern shows main peaks at: 32.4°(0.16), 37.1°(0.97), 37.9°(0.25), 39.1°(0.53), 40.0°(0.39), 41.3°(1.0), 45.1°(0.26), 45.9°(0.22), 47.0°(0.34), 48.9°(0.17), 52.3°(0.09), 58.9°(0.09), 65.0°(0.08), 66.6°(0.14), 69.5°(0.14), 70.7°(0.11), 75.2°(0.08), 77.6°(0.14), 78.6°(0.08), 79.1°... | JVASP-154041 | 7.53 7.53 7.53
95 95 142
As 0.478 0.804 0.238
As 0.565 0.239 0.762
As 0.761 0.522 0.326
As 0.196 0.435 0.674
Pd 0.652 0.839 0.964
Pd 0.875 0.688 0.036
Pd 0.312 0.348 0.187
Pd 0.161 0.125 0.813
Pd 0.991 0.388 0.333
Pd 0.055 0.658 0.667
Pd 0.342 0.009 0.397
Pd 0.612 0.945 0.603
Pd 0.022 0.416 0.954
Pd 0.462 0.068 0.046
P... |
Below is a description of a material. | The chemical formula is: MgSO.
The XRD pattern shows main peaks at: 13.3°(0.21), 26.9°(0.2), 30.5°(1.0), 33.4°(0.07), 41.1°(0.26), 43.7°(0.31), 52.0°(0.14), 55.3°(0.06), 63.5°(0.09), 64.5°(0.15), 70.2°(0.06), 72.0°(0.12), 73.0°(0.1), 78.4°(0.08), 89.1°(0.06).
Generate atomic structure description with lattice lengths, ... | JVASP-118697 | 2.93 2.93 6.64
90 90 90
Mg 0.000 0.000 0.428
S 0.000 0.000 -0.049
O 0.000 0.000 0.719 |
Below is a description of a material. | The chemical formula is: Mn6O7F5.
The XRD pattern shows main peaks at: 26.6°(1.0), 28.3°(0.95), 35.5°(0.91), 39.2°(0.15), 40.2°(0.14), 41.3°(0.16), 53.0°(0.35), 54.9°(0.67), 58.5°(0.15), 62.8°(0.09), 65.4°(0.07), 68.7°(0.26).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types... | JVASP-142619 | 4.60 4.60 9.07
89 89 86
Mn 0.003 0.013 0.825
Mn 0.024 0.976 0.500
Mn 0.987 0.997 0.175
Mn 0.495 0.505 0.000
Mn 0.466 0.480 0.675
Mn 0.520 0.534 0.325
O 0.188 0.183 0.662
O 0.703 0.321 0.167
O 0.679 0.297 0.833
O 0.318 0.682 0.500
O 0.287 0.689 0.834
O 0.817 0.812 0.338
O 0.311 0.713 0.166
F 0.225 0.220 0.336
F 0.780 0.... |
Below is a description of a material. | The chemical formula is: Nb3Ru.
The XRD pattern shows main peaks at: 39.4°(1.0), 56.9°(0.18), 71.4°(0.34), 84.7°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-38825 | 4.58 4.58 4.58
60 60 60
Nb 0.000 0.000 0.000
Nb 0.500 0.500 0.500
Nb 0.250 0.250 0.250
Ru 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: LiPm2Ir.
The XRD pattern shows main peaks at: 21.7°(0.35), 25.1°(0.06), 35.7°(1.0), 42.2°(0.2), 51.5°(0.18), 56.5°(0.08), 64.2°(0.39), 68.6°(0.06), 75.7°(0.12), 79.9°(0.06), 86.7°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-41797 | 5.02 5.02 5.02
60 60 60
Li 0.750 0.750 0.750
Pm 0.000 0.000 0.000
Pm 0.500 0.500 0.500
Ir 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: ErGePd2.
The XRD pattern shows main peaks at: 31.8°(0.53), 32.2°(0.38), 34.4°(0.26), 35.2°(0.82), 36.7°(1.0), 38.8°(0.46), 40.3°(0.56), 41.3°(0.19), 42.4°(0.15), 43.2°(0.47), 51.3°(0.17), 52.1°(0.16), 52.6°(0.14), 54.3°(0.15), 61.7°(0.12), 64.2°(0.28), 67.2°(0.16), 71.7°(0.15), 76.2°(0.18), 78.... | JVASP-23485 | 5.58 7.12 7.32
90 90 90
Er 0.145 0.750 0.528
Er 0.645 0.250 0.972
Er 0.855 0.250 0.472
Er 0.355 0.750 0.028
Ge 0.855 0.750 0.883
Ge 0.355 0.250 0.617
Ge 0.145 0.250 0.117
Ge 0.645 0.750 0.383
Pd 0.916 0.950 0.187
Pd 0.416 0.050 0.313
Pd 0.084 0.450 0.813
Pd 0.584 0.550 0.687
Pd 0.084 0.050 0.813
Pd 0.584 0.950 0.687
Pd... |
Below is a description of a material. | The chemical formula is: HoCo12B6.
The XRD pattern shows main peaks at: 25.0°(0.1), 32.8°(0.39), 33.1°(0.33), 41.4°(0.6), 41.9°(1.0), 47.3°(0.22), 50.1°(0.17), 59.1°(0.21), 62.4°(0.17), 78.4°(0.09), 86.9°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-133161 | 5.95 5.95 5.95
104 104 104
Ho 0.000 0.000 0.000
Co 0.186 0.454 0.454
Co 0.454 0.454 0.186
Co 0.454 0.186 0.454
Co 0.546 0.546 0.814
Co 0.546 0.814 0.546
Co 0.814 0.546 0.546
Co 0.132 0.500 0.868
Co 0.500 0.868 0.132
Co 0.868 0.500 0.132
Co 0.500 0.132 0.868
Co 0.132 0.868 0.500
Co 0.868 0.132 0.500
B 0.767 0.767 0.321
... |
Below is a description of a material. | The chemical formula is: HfAlCuNi.
The XRD pattern shows main peaks at: 25.2°(0.49), 41.7°(1.0), 49.4°(0.22), 60.5°(0.16), 76.1°(0.29).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-191539 | 4.33 4.33 4.33
60 60 59
Ni 0.750 0.750 0.750
Hf 0.500 0.500 0.500
Al 0.000 0.000 -0.000
Cu 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: ZrGaPt.
The XRD pattern shows main peaks at: 24.8°(0.61), 28.7°(0.37), 35.4°(0.62), 38.3°(1.0), 40.4°(0.1), 43.6°(0.67), 46.2°(0.58), 50.9°(0.3), 69.3°(0.29), 71.1°(0.37), 82.0°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-85358 | 7.18 7.18 7.17
90 90 120
Zr 0.386 0.408 0.750
Zr 0.022 0.614 0.750
Zr 0.592 0.978 0.750
Zr 0.614 0.022 0.250
Zr 0.978 0.592 0.250
Zr 0.408 0.386 0.250
Ga 0.000 0.268 0.500
Ga 0.268 0.000 0.500
Ga 0.732 0.732 0.500
Ga 0.000 0.268 0.000
Ga 0.732 0.732 0.000
Ga 0.268 0.000 0.000
Pt 0.667 0.333 0.970
Pt 0.000 0.000 0.750
P... |
Below is a description of a material. | The chemical formula is: Er3Sn.
The XRD pattern shows main peaks at: 32.7°(1.0), 35.1°(0.22), 39.2°(0.29), 53.6°(0.24), 56.7°(0.11), 61.4°(0.17), 67.0°(0.27), 68.5°(0.11), 87.3°(0.07), 88.4°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-104570 | 6.06 6.06 6.06
135 135 64
Er 0.750 0.250 0.500
Er 0.250 0.750 0.500
Er 0.500 0.500 0.000
Sn 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: TiAl2Pd.
The XRD pattern shows main peaks at: 22.0°(0.18), 23.6°(0.24), 31.4°(0.21), 32.5°(0.15), 39.6°(1.0), 44.9°(0.32), 48.3°(0.13), 51.4°(0.11), 56.6°(0.06), 58.7°(0.07), 65.4°(0.1), 68.1°(0.18), 79.3°(0.25), 84.2°(0.1), 85.3°(0.1).
Generate atomic structure description with lattice lengths... | JVASP-189060 | 3.77 4.03 4.03
90 90 90
Al -0.000 0.000 0.500
Al -0.000 0.500 -0.000
Pd 0.500 0.500 0.500
Ti 0.500 -0.000 0.000 |
Below is a description of a material. | The chemical formula is: ThSnI6.
The XRD pattern shows main peaks at: 14.9°(0.27), 18.5°(0.31), 23.3°(0.15), 25.4°(0.08), 26.7°(1.0), 27.8°(0.11), 30.0°(0.1), 34.8°(0.69), 36.7°(0.09), 38.4°(0.12), 41.1°(0.51), 48.9°(0.1), 49.7°(0.17), 51.7°(0.06), 54.9°(0.17), 66.4°(0.14), 70.8°(0.14).
Generate atomic structure descri... | JVASP-12957 | 7.61 7.61 14.04
90 90 120
Th 0.667 0.333 0.750
Th 0.333 0.667 0.250
Sn 0.000 0.000 0.000
Sn 0.000 0.000 0.500
I 0.647 -0.010 0.626
I 0.010 0.657 0.626
I 0.353 0.343 0.126
I 0.657 0.010 0.126
I -0.010 0.647 0.126
I 0.657 0.647 0.374
I -0.010 0.343 0.374
I 0.353 0.010 0.374
I 0.647 0.657 0.874
I 0.343 -0.010 0.874
I 0.01... |
Below is a description of a material. | The chemical formula is: TiPt.
The XRD pattern shows main peaks at: 28.1°(0.5), 40.2°(1.0), 49.7°(0.14), 58.1°(0.18), 65.8°(0.18), 73.0°(0.36), 86.7°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-7717 | 3.18 3.18 3.18
90 90 90
Ti 0.500 0.500 0.500
Pt 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: ZnOsO4.
The XRD pattern shows main peaks at: 19.4°(0.5), 27.6°(1.0), 34.3°(0.91), 39.4°(0.25), 44.3°(0.11), 49.1°(0.07), 53.3°(0.61), 57.0°(0.13), 58.0°(0.09), 64.5°(0.15), 65.4°(0.18), 68.2°(0.19), 72.4°(0.09), 81.7°(0.1), 85.7°(0.09).
Generate atomic structure description with lattice lengths... | JVASP-184485 | 4.57 4.57 3.18
90 90 90
Zn -0.000 -0.000 0.000
Os 0.500 0.500 0.500
O 0.218 0.218 0.500
O 0.690 0.310 0.000
O 0.310 0.690 0.000
O 0.782 0.782 0.500 |
Below is a description of a material. | The chemical formula is: Fe2OF3.
The XRD pattern shows main peaks at: 25.6°(0.99), 27.1°(0.79), 34.6°(1.0), 37.6°(0.13), 39.0°(0.17), 40.1°(0.17), 41.2°(0.06), 44.3°(0.07), 51.2°(0.65), 52.8°(0.45), 55.8°(0.14), 60.1°(0.1), 62.3°(0.06), 65.9°(0.36).
Generate atomic structure description with lattice lengths, angles, co... | JVASP-121912 | 4.79 4.79 9.25
90 90 93
Fe 0.966 0.966 0.000
Fe 0.025 0.025 0.335
Fe 0.025 0.025 0.665
Fe 0.500 0.500 0.834
Fe 0.500 0.500 0.166
Fe 0.478 0.478 0.500
O 0.312 0.312 0.329
O 0.680 0.680 0.000
O 0.312 0.312 0.671
F 0.209 0.805 0.500
F 0.798 0.192 0.167
F 0.805 0.209 0.500
F 0.798 0.192 0.833
F 0.279 0.279 0.000
F 0.713 0.... |
Below is a description of a material. | The chemical formula is: Li3MnF7.
The XRD pattern shows main peaks at: 18.3°(1.0), 20.1°(0.21), 21.7°(0.66), 29.6°(0.07), 32.0°(0.08), 35.0°(0.13), 36.1°(0.21), 37.0°(0.14), 44.2°(0.43), 56.9°(0.08), 61.5°(0.15), 67.0°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types... | JVASP-48948 | 5.62 6.03 6.03
120 122 90
Li 0.655 0.378 0.756
Li 0.655 0.378 0.277
Li 0.655 0.899 0.277
Mn 0.993 0.998 0.995
F 0.222 0.217 0.433
F 0.222 0.217 0.005
F 0.222 0.789 0.005
F 0.765 0.255 0.510
F 0.747 0.768 0.536
F 0.747 0.211 0.979
F 0.747 0.768 0.979 |
Below is a description of a material. | The chemical formula is: TcIr.
The XRD pattern shows main peaks at: 20.2°(0.13), 37.7°(0.3), 41.1°(0.23), 43.1°(1.0), 57.0°(0.19), 68.0°(0.17), 76.4°(0.18), 82.7°(0.19), 84.0°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-100336 | 2.76 2.76 4.39
90 90 120
Tc 0.667 0.333 0.000
Ir 0.000 0.000 0.500 |
Below is a description of a material. | The chemical formula is: Pm2RuAu.
The XRD pattern shows main peaks at: 21.5°(0.05), 35.5°(1.0), 51.1°(0.17), 63.7°(0.35), 75.1°(0.11), 85.9°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-40966 | 5.06 5.06 5.06
60 60 60
Pm 0.000 0.000 0.000
Pm 0.500 0.500 0.500
Ru 0.750 0.750 0.750
Au 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: HfMg6Ti.
The XRD pattern shows main peaks at: 15.8°(0.45), 16.3°(1.0), 18.0°(0.23), 24.0°(0.29), 24.4°(0.46), 27.8°(0.22), 28.8°(0.13), 33.0°(0.47), 33.3°(0.32), 36.4°(0.34), 36.8°(0.65), 37.8°(0.69), 40.2°(0.22), 46.7°(0.18), 47.4°(0.14), 50.0°(0.29), 60.7°(0.12), 66.5°(0.14), 70.0°(0.11), 72.... | JVASP-93193 | 6.42 6.42 4.93
90 90 122
Hf 0.308 0.192 0.750
Mg 0.180 0.834 0.250
Mg 0.666 0.320 0.250
Mg 0.673 0.827 0.250
Mg 0.317 0.667 0.750
Mg 0.833 0.183 0.750
Mg 0.829 0.671 0.750
Ti 0.194 0.306 0.250 |
Below is a description of a material. | The chemical formula is: USi3Ni2.
The XRD pattern shows main peaks at: 7.5°(0.75), 15.0°(0.35), 22.9°(0.14), 25.3°(0.71), 32.2°(0.26), 35.1°(0.72), 35.7°(1.0), 38.2°(0.14), 39.7°(0.41), 41.4°(0.24), 46.1°(0.44), 59.3°(0.31), 67.3°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates an... | JVASP-120733 | 12.10 12.10 12.10
161 161 26
U 0.849 0.849 -0.000
U 0.151 0.151 0.000
Si 0.950 0.450 0.500
Si 0.450 0.950 0.500
Si 0.050 0.550 0.500
Si 0.550 0.050 0.500
Si 0.697 0.697 0.000
Si 0.303 0.303 -0.000
Ni 0.750 0.250 0.500
Ni 0.250 0.750 0.500
Ni 0.599 0.599 0.000
Ni 0.401 0.401 0.000 |
Below is a description of a material. | The chemical formula is: YbNdRh2.
The XRD pattern shows main peaks at: 37.1°(1.0), 53.4°(0.18), 66.8°(0.37), 79.0°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-41348 | 4.85 4.85 4.85
60 60 60
Yb 0.750 0.750 0.750
Nd 0.250 0.250 0.250
Rh 0.000 0.000 0.000
Rh 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Yb3Tm.
The XRD pattern shows main peaks at: 30.0°(1.0), 34.8°(0.46), 50.0°(0.35), 59.4°(0.43), 62.3°(0.13), 73.4°(0.05), 81.2°(0.18), 83.8°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-128390 | 5.16 5.16 5.16
90 90 90
Yb 0.000 0.500 0.500
Yb 0.500 0.000 0.500
Yb 0.500 0.500 0.000
Tm 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: SrSeF.
The XRD pattern shows main peaks at: 20.5°(1.0), 29.1°(0.23), 35.7°(0.57), 41.5°(0.81), 46.7°(0.12), 56.0°(0.32), 64.2°(0.11), 68.2°(0.16), 75.9°(0.13), 79.4°(0.19).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-121034 | 5.02 5.02 4.34
90 90 120
Sr 0.667 0.333 0.000
Se 0.333 0.667 0.000
F 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: MnF2.
The XRD pattern shows main peaks at: 26.2°(1.0), 37.5°(0.49), 42.1°(0.22), 54.0°(0.7), 60.9°(0.12), 67.5°(0.21), 74.0°(0.08), 79.8°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-22619 | 2.77 4.81 4.81
90 90 90
Mn 0.500 0.500 0.500
Mn 0.000 0.000 0.000
F 0.000 0.711 0.711
F 0.500 0.789 0.211
F 0.000 0.289 0.289
F 0.500 0.211 0.789 |
Below is a description of a material. | The chemical formula is: CeScSi.
The XRD pattern shows main peaks at: 11.2°(0.21), 21.8°(0.19), 27.1°(1.0), 29.9°(0.42), 32.1°(0.78), 34.1°(0.29), 35.5°(0.63), 37.8°(0.33), 42.8°(0.45), 51.4°(0.34), 55.9°(0.44), 56.8°(0.43), 62.2°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates an... | JVASP-15875 | 4.22 4.22 8.43
104 104 89
Ce 0.679 0.679 0.358
Ce 0.321 0.321 0.642
Sc 0.500 -0.000 0.000
Sc 0.000 0.500 -0.000
Si 0.876 0.876 0.753
Si 0.124 0.124 0.247 |
Below is a description of a material. | The chemical formula is: KNd3.
The XRD pattern shows main peaks at: 18.7°(0.13), 29.1°(1.0), 33.3°(0.18), 34.0°(0.35), 48.3°(0.26), 48.9°(0.12), 56.9°(0.15), 57.9°(0.3), 60.4°(0.13), 78.3°(0.12), 79.1°(0.06), 80.0°(0.06), 81.3°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and a... | JVASP-37699 | 6.55 6.55 6.55
132 132 69
K 0.000 0.000 0.000
Nd 0.750 0.250 0.500
Nd 0.250 0.750 0.500
Nd 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: YCd.
The XRD pattern shows main peaks at: 34.0°(1.0), 48.9°(0.19), 60.9°(0.37), 71.7°(0.1), 81.8°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-19891 | 3.73 3.73 3.73
90 90 90
Y 0.500 0.500 0.500
Cd 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: ZnCrPO5.
The XRD pattern shows main peaks at: 18.2°(0.17), 27.4°(0.93), 28.2°(1.0), 29.1°(0.1), 36.4°(0.6), 36.9°(0.1), 40.0°(0.15), 45.8°(0.09), 47.5°(0.09), 51.3°(0.17), 54.1°(0.09), 54.7°(0.17), 55.4°(0.24), 56.2°(0.09), 58.2°(0.12), 60.4°(0.09), 63.5°(0.12), 64.0°(0.11), 64.9°(0.08), 77.6°(... | JVASP-145517 | 5.39 5.39 7.13
71 108 83
Zn 0.682 0.178 0.235
Zn 0.309 0.812 0.735
Cr 0.996 0.495 0.985
Cr 0.996 0.495 0.485
P 0.344 0.845 0.235
P 0.648 0.145 0.736
O 0.271 0.704 0.075
O 0.791 0.217 0.576
O 0.201 0.773 0.395
O 0.721 0.286 0.897
O 0.335 0.202 0.620
O 0.290 0.157 0.121
O 0.702 0.833 0.850
O 0.656 0.788 0.351
O 0.082 0.5... |
Below is a description of a material. | The chemical formula is: TbTc2.
The XRD pattern shows main peaks at: 33.4°(0.39), 36.0°(0.86), 38.7°(0.13), 39.2°(1.0), 40.1°(0.68), 40.7°(0.13), 59.6°(0.08), 61.3°(0.3), 63.6°(0.22), 66.3°(0.31), 70.0°(0.23), 81.4°(0.15), 83.9°(0.08), 84.3°(0.09).
Generate atomic structure description with lattice lengths, angles, coo... | JVASP-152289 | 5.37 5.37 8.86
90 90 120
Tb 0.667 0.333 0.063
Tb 0.333 0.667 0.563
Tb 0.333 0.667 0.937
Tb 0.667 0.333 0.437
Tc 0.000 0.000 0.000
Tc 0.000 0.000 0.500
Tc 0.658 0.829 0.250
Tc 0.171 0.829 0.250
Tc 0.171 0.342 0.250
Tc 0.342 0.171 0.750
Tc 0.829 0.171 0.750
Tc 0.829 0.658 0.750 |
Below is a description of a material. | The chemical formula is: HfNb.
The XRD pattern shows main peaks at: 18.5°(0.12), 32.1°(0.06), 37.3°(1.0), 53.7°(0.23), 66.9°(0.18), 67.5°(0.22), 79.5°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-111051 | 2.97 2.97 4.79
90 90 109
Hf 0.000 0.000 0.000
Nb 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: CaPr2Mg.
The XRD pattern shows main peaks at: 22.1°(0.45), 31.4°(1.0), 38.7°(0.14), 45.0°(0.18), 50.7°(0.21), 55.9°(0.36), 65.6°(0.12), 70.1°(0.1), 74.5°(0.16), 78.9°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-157282 | 5.69 5.69 5.69
60 60 60
Ca 0.250 0.250 0.250
Pr 0.000 0.000 0.000
Pr 0.500 0.500 0.500
Mg 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: YbLiPb.
The XRD pattern shows main peaks at: 21.0°(0.16), 22.6°(0.49), 26.8°(0.24), 32.7°(1.0), 36.8°(0.71), 39.7°(0.16), 43.6°(0.09), 50.0°(0.3), 58.3°(0.08), 63.7°(0.33), 66.2°(0.13), 68.2°(0.07), 78.2°(0.08), 87.4°(0.14).
Generate atomic structure description with lattice lengths, angles, co... | JVASP-18019 | 4.89 4.89 10.75
90 90 120
Yb 0.000 0.000 0.667
Yb 0.000 0.000 0.333
Yb 0.000 0.000 0.000
Li 0.333 0.667 0.194
Li 0.667 0.333 0.500
Li 0.333 0.667 0.806
Pb 0.667 0.333 0.843
Pb 0.667 0.333 0.157
Pb 0.333 0.667 0.500 |
Below is a description of a material. | The chemical formula is: Ba8Mn3N8.
The XRD pattern shows main peaks at: 22.8°(0.14), 24.8°(0.13), 26.0°(0.49), 27.6°(0.63), 28.1°(0.76), 28.6°(0.29), 29.8°(0.76), 31.5°(1.0), 32.6°(0.32), 33.6°(0.2), 34.1°(0.25), 35.4°(0.15), 36.5°(0.18), 41.2°(0.13), 46.8°(0.14), 47.1°(0.14), 48.1°(0.2), 49.0°(0.19), 50.8°(0.21), 58.7... | JVASP-146871 | 10.25 5.67 7.87
90 74 73
Ba 0.053 0.973 0.730
Ba 0.947 0.027 0.270
Ba 0.667 0.667 0.468
Ba 0.333 0.333 0.532
Ba 0.797 0.602 0.953
Ba 0.203 0.398 0.047
Ba 0.401 0.799 0.201
Ba 0.599 0.201 0.799
Mn 0.629 0.186 0.201
Mn 0.371 0.814 0.799
Mn -0.000 0.500 0.500
N 0.220 0.890 0.978
N 0.780 0.110 0.022
N 0.356 0.822 0.588
N 0... |
Below is a description of a material. | The chemical formula is: KTl2Au2.
The XRD pattern shows main peaks at: 14.3°(0.39), 19.8°(0.66), 28.4°(0.2), 29.9°(1.0), 37.3°(0.71), 39.3°(0.93), 40.1°(0.12), 40.9°(0.29), 42.6°(0.21), 43.8°(0.11), 47.6°(0.1), 53.8°(0.26), 56.6°(0.21), 58.8°(0.18), 62.8°(0.25), 68.6°(0.38), 71.8°(0.11), 72.5°(0.15), 79.6°(0.08), 82.8°... | JVASP-158043 | 4.82 4.82 7.08
109 109 90
K 0.000 0.000 0.000
Tl 0.750 0.250 0.500
Tl 0.250 0.750 0.500
Au 0.609 0.609 0.217
Au 0.391 0.391 0.783 |
Below is a description of a material. | The chemical formula is: LaHO.
The XRD pattern shows main peaks at: 15.5°(0.1), 26.7°(1.0), 30.8°(0.27), 31.2°(0.1), 38.3°(0.07), 44.4°(0.28), 52.3°(0.31), 52.9°(0.09), 55.0°(0.09), 57.8°(0.06), 64.1°(0.05), 71.2°(0.08), 72.8°(0.05), 81.3°(0.08), 87.3°(0.07).
Generate atomic structure description with lattice lengths, ... | JVASP-118450 | 4.11 4.11 5.73
90 90 90
La 0.500 0.000 0.715
La 0.000 0.500 0.285
H 0.500 0.500 0.000
H 0.000 0.000 0.000
O 0.000 0.000 0.500
O 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: K2O.
The XRD pattern shows main peaks at: 26.4°(0.35), 32.6°(1.0), 41.1°(0.28), 42.2°(0.5), 44.4°(0.07), 54.3°(0.17), 60.4°(0.07), 62.1°(0.07), 62.9°(0.13), 71.1°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-43427 | 4.28 8.17 4.28
90 119 90
K 0.000 0.876 0.999
K 0.334 0.623 0.666
K 0.666 0.123 0.334
K -0.000 0.376 0.001
O 0.333 0.252 0.668
O 0.667 0.752 0.332 |
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