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: BeVB.
The XRD pattern shows main peaks at: 16.0°(0.72), 33.6°(0.89), 42.0°(0.56), 44.2°(1.0), 45.3°(0.43), 49.2°(0.16), 54.0°(0.13), 58.4°(0.11), 61.0°(0.27), 63.5°(0.07), 66.7°(0.15), 71.5°(0.17), 78.3°(0.29), 82.1°(0.14), 82.8°(0.1), 89.5°(0.06).
Generate atomic structure description with lat... | JVASP-187697 | 3.04 3.04 5.55
90 90 90
Be 0.000 -0.000 0.500
Be 0.500 0.500 0.500
B -0.000 0.500 0.264
B 0.500 -0.000 0.736
V 0.000 0.500 0.855
V 0.500 0.000 0.145 |
Below is a description of a material. | The chemical formula is: GaCuSnSe4.
The XRD pattern shows main peaks at: 17.7°(0.1), 27.5°(1.0), 28.6°(0.13), 36.7°(0.18), 45.6°(0.56), 54.2°(0.26), 66.7°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-109750 | 6.90 6.90 6.90
132 132 70
Ga 0.750 0.250 0.500
Cu 0.250 0.750 0.500
Sn 0.500 0.500 0.000
Se 0.654 0.656 0.557
Se 0.099 0.097 0.443
Se 0.903 0.346 0.002
Se 0.344 0.901 0.998 |
Below is a description of a material. | The chemical formula is: P2N.
The XRD pattern shows main peaks at: 21.2°(0.7), 28.3°(0.59), 31.4°(0.85), 32.3°(1.0), 39.0°(0.23), 42.4°(0.13), 43.5°(0.35), 45.7°(0.55), 50.5°(0.17), 54.3°(0.12), 55.0°(0.1), 58.6°(0.15), 61.2°(0.18), 65.7°(0.06), 67.7°(0.11), 68.6°(0.24), 75.1°(0.09), 76.5°(0.14), 77.9°(0.09), 89.1°(0.0... | JVASP-133818 | 4.28 2.77 4.21
90 95 90
P -0.495 0.000 -0.001
P 0.095 0.000 0.601
N 0.800 0.000 -0.200 |
Below is a description of a material. | The chemical formula is: Zr3N2.
The XRD pattern shows main peaks at: 31.8°(0.22), 32.5°(0.12), 34.1°(0.39), 35.2°(0.69), 37.0°(1.0), 41.6°(0.08), 44.3°(0.18), 50.3°(0.12), 56.3°(0.39), 60.5°(0.22), 64.2°(0.13), 67.5°(0.32), 68.1°(0.1), 69.3°(0.14), 87.3°(0.08).
Generate atomic structure description with lattice lengths... | JVASP-194213 | 3.27 3.27 8.11
78 78 60
Zr 0.000 0.000 -0.000
Zr 0.778 0.778 0.666
Zr 0.222 0.222 0.334
N 0.389 0.389 0.833
N 0.611 0.611 0.167 |
Below is a description of a material. | The chemical formula is: SmHg.
The XRD pattern shows main peaks at: 33.2°(0.74), 33.8°(1.0), 47.7°(0.21), 49.6°(0.12), 59.6°(0.3), 60.8°(0.14), 61.2°(0.14), 69.8°(0.09), 71.2°(0.09), 79.7°(0.15), 82.7°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-124389 | 5.27 3.82 3.68
90 133 90
Sm 0.000 0.000 0.000
Hg 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: FeO2.
The XRD pattern shows main peaks at: 19.4°(1.0), 37.6°(0.37), 39.3°(0.11), 45.7°(0.52), 66.6°(0.26), 84.6°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-11517 | 5.61 5.61 5.61
119 119 89
Fe 0.500 -0.000 0.500
Fe 0.500 0.000 0.000
Fe 0.500 0.500 0.000
Fe -0.000 -0.000 0.500
O 0.263 0.789 0.526
O 0.289 0.763 0.026
O 0.737 0.763 0.026
O 0.711 0.237 0.974
O 0.737 0.763 0.474
O 0.263 0.237 0.526
O 0.263 0.237 0.974
O 0.737 0.211 0.474 |
Below is a description of a material. | The chemical formula is: Ba3Y.
The XRD pattern shows main peaks at: 26.5°(1.0), 30.5°(0.38), 31.2°(0.18), 43.7°(0.14), 44.2°(0.27), 51.8°(0.3), 52.7°(0.14), 54.7°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-106492 | 7.07 7.07 7.07
131 131 71
Ba 0.750 0.250 0.500
Ba 0.250 0.750 0.500
Ba 0.500 0.500 0.000
Y 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Mo2WSe2S4.
The XRD pattern shows main peaks at: 4.6°(0.34), 9.2°(0.08), 13.9°(1.0), 18.6°(0.07), 32.0°(0.36), 33.8°(0.24), 36.4°(0.25), 38.0°(0.23), 38.9°(0.17), 40.8°(0.09), 56.9°(0.22), 58.8°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types... | JVASP-28557 | 3.24 3.24 19.47
99 90 120
Mo 0.309 0.618 0.017
Mo 0.448 0.896 0.682
W 0.576 0.152 0.343
Se 0.723 0.446 0.592
Se 0.840 0.680 0.771
S 0.297 0.593 0.425
S 0.589 0.178 0.935
S 0.696 0.392 0.098
S 0.189 0.378 0.261 |
Below is a description of a material. | The chemical formula is: Li2Ni3BiO8.
The XRD pattern shows main peaks at: 18.4°(1.0), 20.9°(0.18), 29.0°(0.07), 30.5°(0.09), 33.9°(0.22), 35.2°(0.38), 37.3°(0.18), 42.6°(0.4), 44.7°(0.09), 47.8°(0.15), 60.2°(0.13), 63.5°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom typ... | JVASP-46260 | 5.86 5.86 6.17
61 118 120
Li 0.883 0.117 0.649
Li 0.117 0.883 0.351
Ni 0.500 0.500 0.000
Ni 0.500 -0.000 0.000
Ni -0.000 0.500 0.000
Bi 0.500 0.500 0.500
O 0.753 0.720 0.786
O 0.753 0.247 0.786
O 0.270 0.730 0.811
O 0.280 0.247 0.786
O 0.720 0.753 0.214
O 0.730 0.270 0.189
O 0.247 0.753 0.214
O 0.247 0.280 0.214 |
Below is a description of a material. | The chemical formula is: PuSe.
The XRD pattern shows main peaks at: 26.4°(0.43), 30.5°(1.0), 43.7°(0.78), 51.8°(0.23), 54.3°(0.26), 63.5°(0.12), 72.1°(0.36), 80.3°(0.28).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-20655 | 4.14 4.14 4.14
60 60 60
Pu 0.000 0.000 0.000
Se 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Sr3BiSb.
The XRD pattern shows main peaks at: 14.4°(0.42), 20.4°(0.73), 25.0°(0.2), 28.9°(1.0), 32.4°(0.25), 35.6°(0.38), 41.4°(0.82), 44.0°(0.15), 46.5°(0.18), 49.0°(0.08), 51.3°(0.29), 53.5°(0.06), 55.7°(0.21), 60.0°(0.13), 62.0°(0.09), 64.0°(0.11), 67.9°(0.36), 75.5°(0.28), 79.1°(0.12), 86.4... | JVASP-36497 | 6.17 6.17 6.17
90 90 90
Sr 0.000 0.500 0.500
Sr 0.500 0.000 0.500
Sr 0.500 0.500 0.000
Bi 0.500 0.500 0.500
Sb 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Tb2In3Cu.
The XRD pattern shows main peaks at: 21.8°(0.07), 24.9°(0.13), 32.5°(1.0), 38.3°(0.66), 42.5°(0.18), 51.0°(0.25), 54.0°(0.06), 58.5°(0.07), 63.6°(0.1), 65.5°(0.23), 69.2°(0.11), 72.1°(0.07), 81.9°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates a... | JVASP-111339 | 4.71 4.71 7.48
90 90 120
Tb 0.000 0.000 0.723
Tb 0.000 0.000 0.263
In 0.333 0.667 0.482
In 0.333 0.667 0.053
In 0.667 0.333 0.934
Cu 0.667 0.333 0.545 |
Below is a description of a material. | The chemical formula is: PrCo5H4.
The XRD pattern shows main peaks at: 22.1°(0.09), 29.4°(0.36), 30.0°(0.4), 33.0°(0.2), 34.6°(0.26), 39.0°(0.59), 40.1°(0.61), 40.8°(0.11), 41.5°(1.0), 45.1°(0.43), 46.9°(0.09), 58.1°(0.13), 59.6°(0.23), 61.1°(0.31), 64.8°(0.25), 69.3°(0.11), 73.1°(0.13), 79.5°(0.1), 80.7°(0.13), 86.6°(... | JVASP-100285 | 5.19 5.19 4.02
90 90 116
Pr 0.500 0.500 0.500
Co 0.864 0.136 0.500
Co 0.136 0.864 0.500
Co -0.000 0.500 0.000
Co 0.500 -0.000 0.000
Co 0.000 0.000 0.000
H 0.645 0.355 0.000
H 0.355 0.645 0.000
H -0.000 0.500 0.500
H 0.500 -0.000 0.500 |
Below is a description of a material. | The chemical formula is: BaPuO3.
The XRD pattern shows main peaks at: 20.2°(0.13), 28.7°(1.0), 41.0°(0.29), 46.1°(0.07), 50.8°(0.44), 59.4°(0.17), 67.2°(0.2), 74.7°(0.06), 81.8°(0.23).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-86970 | 4.40 4.40 4.40
90 90 90
Ba 0.000 0.000 0.000
Pu 0.500 0.500 0.500
O 0.000 0.500 0.500
O 0.500 0.000 0.500
O 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: RbBrCl.
The XRD pattern shows main peaks at: 16.9°(0.06), 18.1°(0.46), 19.4°(1.0), 26.7°(0.35), 27.0°(0.18), 31.1°(0.28), 33.5°(0.21), 34.2°(0.21), 37.0°(0.34), 39.7°(0.28), 41.8°(0.24), 43.7°(0.13), 48.4°(0.15), 51.1°(0.13), 53.2°(0.12), 54.9°(0.1), 59.6°(0.08), 60.8°(0.09), 64.4°(0.07), 69.9°... | JVASP-115687 | 6.63 6.20 4.57
90 90 52
Rb -0.024 -0.050 0.000
Br 0.477 -0.052 0.000
Cl -0.023 0.449 0.000 |
Below is a description of a material. | The chemical formula is: NaCuTe.
The XRD pattern shows main peaks at: 12.5°(0.55), 23.9°(0.94), 25.2°(0.08), 28.8°(0.18), 31.5°(0.17), 32.6°(0.11), 38.7°(1.0), 41.2°(0.51), 43.2°(0.1), 43.6°(0.2), 48.2°(0.28), 51.8°(0.07), 56.2°(0.06), 59.7°(0.17), 61.6°(0.15), 68.2°(0.13), 72.0°(0.06), 73.4°(0.3), 80.2°(0.06), 82.9°(0... | JVASP-138749 | 4.38 4.38 7.06
90 90 90
Na 0.000 0.500 0.175
Na 0.500 0.000 0.825
Cu 0.500 0.500 0.500
Cu 0.000 0.000 0.500
Te 0.000 0.500 0.728
Te 0.500 0.000 0.272 |
Below is a description of a material. | The chemical formula is: Zr3ZnH.
The XRD pattern shows main peaks at: 35.5°(1.0), 41.2°(0.46), 59.7°(0.3), 71.5°(0.35), 75.2°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-188035 | 4.38 4.38 4.38
90 90 90
H 0.000 0.000 0.000
Zn 0.500 0.500 0.500
Zr 0.000 0.500 0.000
Zr 0.000 0.000 0.500
Zr 0.500 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Tl2ZnI4.
The XRD pattern shows main peaks at: 16.2°(0.29), 22.1°(0.24), 23.0°(0.17), 25.1°(0.43), 26.4°(1.0), 28.6°(0.86), 30.0°(0.82), 32.7°(0.47), 35.5°(0.2), 37.9°(0.31), 39.1°(0.37), 42.5°(0.13), 43.0°(0.2), 45.0°(0.13), 47.0°(0.14), 48.4°(0.18), 51.8°(0.2), 52.9°(0.14), 58.8°(0.14), 61.1°(... | JVASP-13113 | 7.81 8.06 9.23
90 107 90
Tl 0.251 0.027 0.564
Tl 0.749 0.527 0.436
Tl 0.236 0.017 0.058
Tl 0.764 0.517 0.942
Zn 0.784 0.972 0.199
Zn 0.216 0.472 0.801
I 0.034 0.736 0.267
I 0.966 0.236 0.733
I 0.976 0.247 0.250
I 0.024 0.747 0.750
I 0.411 0.447 0.613
I 0.589 0.947 0.387
I 0.405 0.441 0.089
I 0.595 0.941 0.911 |
Below is a description of a material. | The chemical formula is: LiPd.
The XRD pattern shows main peaks at: 30.1°(1.0), 43.0°(0.98), 53.4°(0.27), 62.5°(0.15), 70.9°(0.34), 78.9°(0.29).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-15039 | 2.97 2.97 2.97
90 90 90
Li 0.000 0.000 0.000
Pd 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Ca4BeCr.
The XRD pattern shows main peaks at: 16.7°(0.27), 19.4°(0.11), 27.5°(0.17), 32.4°(1.0), 33.9°(0.5), 39.3°(0.1), 43.0°(0.07), 44.2°(0.05), 48.6°(0.05), 51.8°(0.31), 56.8°(0.26), 66.9°(0.1), 67.8°(0.17), 80.5°(0.15).
Generate atomic structure description with lattice lengths, angles, coo... | JVASP-65278 | 6.48 6.48 6.48
60 60 60
Ca 0.125 0.625 0.625
Ca 0.625 0.625 0.625
Ca 0.625 0.125 0.625
Ca 0.625 0.625 0.125
Be 0.000 0.000 0.000
Cr 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: Be2ReOs.
The XRD pattern shows main peaks at: 26.6°(1.0), 44.2°(0.88), 52.3°(0.47), 64.3°(0.13), 70.8°(0.19), 81.3°(0.3), 87.4°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-74688 | 4.10 4.10 4.10
120 120 89
Be 0.000 0.000 0.000
Be 0.250 0.750 0.500
Re 0.750 0.250 0.500
Os 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: Sr3Sn3Au8.
The XRD pattern shows main peaks at: 10.9°(0.07), 18.1°(0.45), 20.5°(0.13), 24.6°(0.12), 28.0°(0.09), 30.8°(0.2), 32.1°(1.0), 33.3°(0.25), 35.7°(0.4), 36.4°(0.29), 37.3°(0.28), 37.9°(0.72), 41.0°(0.22), 41.9°(0.61), 46.8°(0.13), 50.5°(0.09), 54.2°(0.21), 61.7°(0.12), 64.8°(0.11), 80.... | JVASP-122467 | 9.07 9.07 9.80
57 57 30
Sr 0.701 0.701 0.264
Sr 0.299 0.299 0.736
Sr 0.000 0.000 0.000
Sn -0.000 0.000 0.500
Sn 0.328 0.328 0.324
Sn 0.672 0.672 0.676
Au 0.874 0.874 0.854
Au 0.126 0.126 0.146
Au 0.136 0.136 0.574
Au 0.864 0.864 0.426
Au 0.494 0.494 0.319
Au 0.506 0.506 0.681
Au 0.649 0.649 0.974
Au 0.351 0.351 0.026 |
Below is a description of a material. | The chemical formula is: LaBi2Au.
The XRD pattern shows main peaks at: 8.9°(0.07), 27.0°(0.05), 32.0°(1.0), 36.2°(0.11), 37.6°(0.41), 45.4°(0.06), 53.2°(0.16), 54.3°(0.13), 64.4°(0.29), 67.0°(0.08), 89.1°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-164927 | 4.78 4.78 9.92
90 90 90
La 0.250 0.250 0.229
La 0.750 0.750 0.771
Bi 0.750 0.750 0.190
Bi 0.250 0.250 0.810
Bi 0.750 0.250 0.500
Bi 0.250 0.750 0.500
Au 0.750 0.250 -0.000
Au 0.250 0.750 0.000 |
Below is a description of a material. | The chemical formula is: V3O5F.
The XRD pattern shows main peaks at: 19.3°(0.66), 21.6°(1.0), 23.9°(0.69), 24.2°(0.65), 24.8°(0.57), 32.7°(0.58), 33.4°(0.51), 33.7°(0.6), 36.0°(0.63), 40.9°(0.71), 41.9°(0.35), 49.0°(0.21), 49.7°(0.26), 50.9°(0.28), 53.2°(0.27), 53.8°(0.46), 54.6°(0.23), 55.4°(0.26), 64.7°(0.23), 65.0°(... | JVASP-102250 | 5.01 5.36 4.97
88 60 62
V 0.314 0.059 0.330
V 0.723 0.449 0.132
V 0.653 0.979 0.660
O 0.528 0.236 0.064
O 0.180 0.230 0.746
O 0.860 0.207 0.398
O 0.743 0.753 0.314
O 0.550 0.753 0.940
F 0.174 0.744 0.538 |
Below is a description of a material. | The chemical formula is: MgMn6Ge6.
The XRD pattern shows main peaks at: 19.9°(0.13), 30.0°(0.09), 34.8°(0.55), 39.3°(0.16), 40.4°(0.35), 41.7°(0.65), 45.3°(0.21), 46.6°(1.0), 49.2°(0.09), 50.0°(0.26), 62.4°(0.1), 65.5°(0.07), 67.1°(0.15), 73.5°(0.39).
Generate atomic structure description with lattice lengths, angles, ... | JVASP-122117 | 5.15 5.15 8.00
90 90 120
Mg 0.000 0.000 0.000
Mn 0.500 0.000 0.250
Mn 0.500 0.000 0.750
Mn -0.000 0.500 0.250
Mn -0.000 0.500 0.750
Mn 0.500 0.500 0.250
Mn 0.500 0.500 0.750
Ge 0.000 0.000 0.334
Ge 0.000 0.000 0.666
Ge 0.333 0.667 0.500
Ge 0.667 0.333 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: AgAsO3.
The XRD pattern shows main peaks at: 23.1°(0.41), 29.3°(1.0), 31.2°(0.19), 33.3°(0.1), 36.0°(0.75), 39.4°(0.1), 42.3°(0.09), 47.1°(0.27), 48.4°(0.67), 57.7°(0.15), 60.7°(0.25), 64.8°(0.24), 70.0°(0.1), 76.4°(0.09).
Generate atomic structure description with lattice lengths, angles, coor... | JVASP-100136 | 6.41 6.41 6.41
45 45 45
Ag 0.144 0.144 0.144
Ag 0.856 0.856 0.856
As 0.336 0.336 0.336
As 0.664 0.664 0.664
O 0.680 0.058 0.447
O 0.942 0.553 0.320
O 0.553 0.320 0.942
O 0.447 0.680 0.058
O 0.058 0.447 0.680
O 0.320 0.942 0.553 |
Below is a description of a material. | The chemical formula is: SmPdPb.
The XRD pattern shows main peaks at: 22.2°(0.05), 31.9°(1.0), 34.6°(0.68), 34.9°(0.57), 39.8°(0.36), 41.8°(0.28), 45.3°(0.21), 58.5°(0.25), 61.9°(0.2), 64.1°(0.33), 75.3°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-165998 | 4.00 7.85 7.85
119 90 90
Sm 0.500 0.597 0.000
Sm 0.500 0.403 0.403
Sm 0.500 -0.000 0.597
Pd -0.000 0.333 0.667
Pd -0.000 0.667 0.333
Pd 0.500 0.000 -0.000
Pb -0.000 0.263 0.000
Pb 0.000 0.737 0.737
Pb -0.000 -0.000 0.263 |
Below is a description of a material. | The chemical formula is: C.
The XRD pattern shows main peaks at: 8.6°(0.12), 17.3°(0.09), 42.4°(0.58), 43.3°(1.0), 44.5°(0.32), 46.1°(0.98), 48.1°(0.24), 77.4°(0.89).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-85394 | 2.46 2.46 20.44
90 90 120
C 0.166 0.834 0.952
C 0.167 0.833 0.452
C 0.167 0.833 0.779
C 0.166 0.834 0.279
C 0.500 0.500 0.616
C 0.833 0.167 0.279
C 0.500 0.500 0.116
C 0.166 0.834 0.616
C 0.834 0.166 0.779
C 0.834 0.166 0.116
C 0.834 0.166 0.452
C 0.833 0.167 0.952 |
Below is a description of a material. | The chemical formula is: Zn2GaCuSe4.
The XRD pattern shows main peaks at: 27.2°(1.0), 45.1°(0.63), 53.4°(0.29), 65.5°(0.08), 72.5°(0.13), 83.1°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-105342 | 6.95 6.95 6.95
131 131 70
Zn 0.750 0.250 0.500
Zn 0.250 0.750 0.500
Ga 0.500 0.500 0.000
Cu 0.000 0.000 0.000
Se 0.126 0.126 0.496
Se 0.874 0.371 0.000
Se 0.629 0.629 0.504
Se 0.371 0.874 -0.000 |
Below is a description of a material. | The chemical formula is: SiHO2.
The XRD pattern shows main peaks at: 25.8°(0.32), 27.2°(0.51), 38.8°(1.0), 47.2°(0.22), 53.0°(0.15), 56.1°(0.25), 60.6°(0.12), 62.7°(0.09), 63.4°(0.09), 67.6°(0.26), 80.8°(0.15), 83.3°(0.07), 87.2°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-118493 | 3.28 3.28 3.45
90 90 90
Si 0.500 0.500 0.537
H 0.000 0.000 0.858
O 0.000 0.000 0.572
O 0.500 0.500 0.044 |
Below is a description of a material. | The chemical formula is: MnGa.
The XRD pattern shows main peaks at: 38.0°(0.28), 44.3°(1.0), 60.0°(0.14), 68.7°(0.16), 82.0°(0.14), 85.6°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-109711 | 2.73 2.73 4.06
90 90 120
Mn 0.000 0.000 0.000
Ga 0.333 0.667 0.500 |
Below is a description of a material. | The chemical formula is: LiNpRh2.
The XRD pattern shows main peaks at: 24.1°(0.6), 39.9°(1.0), 47.2°(0.34), 57.8°(0.16), 72.5°(0.36), 86.1°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-100992 | 4.52 4.52 4.52
60 60 60
Li 0.500 0.500 0.500
Np 0.000 0.000 0.000
Rh 0.250 0.250 0.250
Rh 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: Ni3Pd.
The XRD pattern shows main peaks at: 24.5°(0.08), 34.9°(0.06), 43.1°(1.0), 50.2°(0.47), 73.8°(0.31), 89.5°(0.38).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-126322 | 3.63 3.63 3.63
90 90 90
Ni 0.000 0.500 0.500
Ni 0.500 0.000 0.500
Ni 0.500 0.500 0.000
Pd 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Na2HfBe.
The XRD pattern shows main peaks at: 22.5°(1.0), 26.1°(0.58), 37.2°(0.94), 43.9°(0.54), 46.0°(0.18), 53.6°(0.16), 58.8°(0.21), 60.5°(0.25), 67.0°(0.33), 71.7°(0.17), 79.2°(0.1), 83.6°(0.17), 85.1°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-68161 | 4.84 4.84 4.84
119 119 90
Na 0.000 0.000 0.000
Na 0.250 0.750 0.500
Hf 0.750 0.250 0.500
Be 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: Ti2MnGa.
The XRD pattern shows main peaks at: 42.0°(1.0), 60.9°(0.15), 76.7°(0.27).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-79540 | 4.30 4.30 4.30
60 60 60
Ti 0.000 0.000 0.000
Ti 0.750 0.750 0.750
Mn 0.500 0.500 0.500
Ga 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: Li2CaMg.
The XRD pattern shows main peaks at: 21.0°(0.12), 24.3°(0.68), 34.6°(1.0), 42.7°(0.15), 49.7°(0.17), 56.1°(0.11), 62.0°(0.24).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-80701 | 12.72 8.99 8.99
33 19 19
Li 0.750 0.000 0.000
Li 0.250 1.000 1.000
Ca 0.500 -0.000 0.000
Mg 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: MoPbO4.
The XRD pattern shows main peaks at: 17.8°(0.12), 27.4°(1.0), 29.5°(0.16), 32.8°(0.23), 37.5°(0.07), 43.2°(0.05), 44.6°(0.3), 47.0°(0.13), 51.0°(0.18), 55.2°(0.26), 56.5°(0.12), 71.1°(0.08), 71.9°(0.13), 75.4°(0.06), 76.4°(0.05), 78.2°(0.06), 85.7°(0.08).
Generate atomic structure descr... | JVASP-152503 | 7.19 7.19 7.19
135 135 65
Mo 0.375 0.625 0.250
Mo 0.625 0.375 0.750
Pb 0.125 0.875 0.750
Pb 0.875 0.125 0.250
O 0.222 0.567 0.877
O 0.690 0.846 0.623
O 0.846 0.222 0.655
O 0.567 0.690 0.845
O 0.778 0.433 0.123
O 0.310 0.154 0.377
O 0.154 0.778 0.345
O 0.433 0.310 0.155 |
Below is a description of a material. | The chemical formula is: TaTi.
The XRD pattern shows main peaks at: 27.4°(0.4), 39.1°(1.0), 48.4°(0.12), 56.4°(0.16), 63.8°(0.17), 70.8°(0.35), 83.9°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-128297 | 3.26 3.26 3.26
90 90 90
Ta 0.000 0.000 0.000
Ti 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Sm2MgIn.
The XRD pattern shows main peaks at: 20.2°(0.1), 23.4°(0.15), 33.3°(1.0), 47.8°(0.18), 59.5°(0.37), 69.9°(0.11), 79.7°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-101412 | 5.38 5.38 5.38
60 60 60
Sm 0.250 0.250 0.250
Sm 0.750 0.750 0.750
Mg 0.000 0.000 0.000
In 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: NaLi2Zn.
The XRD pattern shows main peaks at: 22.7°(0.48), 26.3°(0.86), 37.5°(1.0), 44.3°(0.25), 46.4°(0.24), 54.1°(0.17), 59.4°(0.1), 61.1°(0.27), 67.7°(0.33), 72.4°(0.07), 80.1°(0.09), 84.6°(0.07), 86.0°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates an... | JVASP-161412 | 4.79 4.79 4.79
60 60 60
Na 0.250 0.250 0.250
Li 0.000 0.000 0.000
Li 0.500 0.500 0.500
Zn 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: LaMnFeGe2.
The XRD pattern shows main peaks at: 30.9°(0.25), 33.3°(1.0), 35.2°(0.75), 44.2°(0.56), 46.2°(0.09), 47.9°(0.26), 56.4°(0.4), 61.0°(0.2), 64.3°(0.18), 67.2°(0.18), 70.3°(0.06), 86.9°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types... | JVASP-100556 | 6.09 6.09 6.09
140 140 56
La 0.000 0.000 0.000
Mn 0.250 0.750 0.500
Fe 0.750 0.250 0.500
Ge 0.631 0.631 0.000
Ge 0.369 0.369 -0.000 |
Below is a description of a material. | The chemical formula is: TbGa2Ir2.
The XRD pattern shows main peaks at: 17.8°(0.23), 34.3°(0.24), 34.9°(1.0), 36.0°(0.12), 42.5°(0.51), 46.4°(0.08), 47.4°(0.22), 50.6°(0.09), 55.7°(0.13), 56.9°(0.14), 61.7°(0.17), 64.0°(0.17), 68.2°(0.07), 72.9°(0.25), 73.6°(0.07), 81.3°(0.09).
Generate atomic structure description wit... | JVASP-155496 | 5.82 5.82 5.82
137 137 62
Tb 0.000 0.000 0.000
Ga 0.377 0.377 0.000
Ga 0.623 0.623 0.000
Ir 0.750 0.250 0.500
Ir 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: Ce3Pd.
The XRD pattern shows main peaks at: 33.6°(1.0), 39.0°(0.49), 56.3°(0.34), 67.2°(0.38), 70.6°(0.11), 83.7°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-129105 | 4.62 4.62 4.62
90 90 90
Ce 0.000 0.500 0.500
Ce 0.500 0.000 0.500
Ce 0.500 0.500 0.000
Pd 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: FeCO3.
The XRD pattern shows main peaks at: 26.1°(0.49), 34.4°(1.0), 40.0°(0.22), 44.6°(0.21), 48.4°(0.21), 53.7°(0.12), 56.8°(0.33), 57.7°(0.17), 64.5°(0.15), 69.0°(0.13), 72.6°(0.17), 86.2°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-150892 | 5.34 5.34 5.34
49 49 49
Fe 0.000 0.000 0.000
Fe 0.500 0.500 0.500
C 0.750 0.750 0.750
C 0.250 0.250 0.250
O 0.461 0.750 0.039
O 0.750 0.039 0.461
O 0.039 0.461 0.750
O 0.539 0.250 0.961
O 0.250 0.961 0.539
O 0.961 0.539 0.250 |
Below is a description of a material. | The chemical formula is: Sm2AsSe.
The XRD pattern shows main peaks at: 26.1°(0.19), 30.2°(1.0), 43.2°(0.79), 51.2°(0.06), 53.6°(0.22), 71.2°(0.17), 79.2°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-166578 | 8.37 11.08 7.26
29 54 40
Sm 0.255 0.000 0.489
Sm 0.005 0.500 0.489
Sm 0.745 -0.000 0.511
Sm 0.495 0.500 0.511
As 0.500 0.000 -0.000
As 0.250 0.500 -0.000
Se 0.000 -0.000 -0.000
Se 0.750 0.500 -0.000 |
Below is a description of a material. | The chemical formula is: NdFeNi4.
The XRD pattern shows main peaks at: 30.6°(0.5), 35.8°(0.31), 41.6°(0.37), 42.7°(1.0), 46.0°(0.26), 47.8°(0.08), 59.6°(0.14), 61.1°(0.13), 63.7°(0.2), 69.1°(0.23), 75.9°(0.16), 82.8°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-102189 | 5.02 5.02 3.95
90 90 120
Nd 0.333 0.667 0.000
Fe 0.667 0.333 0.000
Ni 0.000 0.000 0.000
Ni 0.833 0.667 0.500
Ni 0.333 0.167 0.500
Ni 0.833 0.167 0.500 |
Below is a description of a material. | The chemical formula is: LuFe2Si2.
The XRD pattern shows main peaks at: 24.6°(0.57), 32.2°(0.11), 36.6°(0.58), 37.6°(1.0), 38.2°(0.16), 46.2°(0.4), 54.0°(0.18), 60.4°(0.28), 61.5°(0.15), 67.4°(0.12), 68.7°(0.18), 79.8°(0.19).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types... | JVASP-54871 | 3.93 3.93 5.47
111 111 90
Lu 0.000 0.000 0.000
Fe 0.250 0.750 0.500
Fe 0.750 0.250 0.500
Si 0.368 0.368 0.736
Si 0.632 0.632 0.264 |
Below is a description of a material. | The chemical formula is: Y2CuIr.
The XRD pattern shows main peaks at: 22.4°(0.18), 36.9°(1.0), 43.6°(0.1), 53.2°(0.18), 66.5°(0.33), 78.6°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-79979 | 4.87 4.87 4.87
60 60 60
Y 0.000 0.000 0.000
Y 0.500 0.500 0.500
Cu 0.250 0.250 0.250
Ir 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: BiH2.
The XRD pattern shows main peaks at: 12.0°(1.0), 24.1°(0.21), 28.5°(0.14), 29.0°(0.14), 31.1°(0.2), 31.5°(0.22), 36.6°(0.07), 37.7°(0.14), 38.1°(0.13), 41.1°(0.11), 43.0°(0.19), 47.0°(0.07), 48.3°(0.13), 56.2°(0.09), 66.2°(0.06), 72.4°(0.06).
Generate atomic structure description with lat... | JVASP-138226 | 7.37 3.13 3.08
90 90 90
Bi 0.467 0.000 0.000
H -0.033 0.000 0.880
H -0.033 0.000 0.120 |
Below is a description of a material. | The chemical formula is: MnBe2Re.
The XRD pattern shows main peaks at: 27.8°(1.0), 32.2°(0.23), 46.3°(0.67), 54.8°(0.44), 57.5°(0.07), 67.5°(0.12), 74.5°(0.2), 76.8°(0.1), 85.7°(0.24).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-69912 | 3.93 3.93 3.93
119 119 90
Mn 0.500 0.500 0.000
Be 0.000 0.000 0.000
Be 0.250 0.750 0.500
Re 0.750 0.250 0.500 |
Below is a description of a material. | The chemical formula is: SrAl2B2O7.
The XRD pattern shows main peaks at: 11.0°(1.0), 22.1°(0.63), 25.5°(0.79), 27.8°(0.34), 33.3°(0.63), 36.4°(0.57), 43.0°(0.32), 44.9°(0.09), 50.1°(0.26), 57.6°(0.06), 65.5°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-62866 | 8.57 8.57 8.57
33 33 33
Sr 0.000 0.000 0.000
Al 0.570 0.570 0.570
Al 0.430 0.430 0.430
B 0.735 0.735 0.735
B 0.266 0.265 0.265
O 0.500 0.500 0.500
O 0.965 0.514 0.325
O 0.325 0.965 0.514
O 0.514 0.325 0.965
O 0.036 0.675 0.486
O 0.675 0.486 0.035
O 0.486 0.035 0.675 |
Below is a description of a material. | The chemical formula is: SbRh3.
The XRD pattern shows main peaks at: 39.4°(1.0), 45.8°(0.5), 66.7°(0.31), 80.3°(0.38), 84.7°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-39222 | 3.96 3.96 3.96
90 90 90
Sb 0.000 0.000 0.000
Rh 0.500 0.500 0.000
Rh 0.500 0.000 0.500
Rh 0.000 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Ti2RuOs.
The XRD pattern shows main peaks at: 25.0°(0.11), 28.9°(0.31), 41.4°(1.0), 49.0°(0.06), 51.3°(0.1), 60.0°(0.15), 67.9°(0.13), 75.5°(0.32).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-190576 | 4.36 4.36 4.36
60 60 60
Ru 0.000 0.000 -0.000
Os 0.500 0.500 0.500
Ti 0.250 0.250 0.250
Ti 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: LiZrIn2.
The XRD pattern shows main peaks at: 11.8°(0.1), 23.7°(0.11), 27.1°(0.22), 29.7°(0.31), 36.3°(1.0), 38.7°(0.49), 45.9°(0.08), 48.6°(0.09), 53.9°(0.14), 55.9°(0.16), 63.8°(0.16), 64.6°(0.07), 68.6°(0.32), 77.2°(0.09), 83.1°(0.05).
Generate atomic structure description with lattice lengt... | JVASP-190682 | 3.29 3.29 7.50
90 90 90
Li 0.500 0.500 0.250
Zr 0.500 0.500 0.750
In 0.000 0.000 0.028
In 0.000 0.000 0.472 |
Below is a description of a material. | The chemical formula is: Ce5Si3.
The XRD pattern shows main peaks at: 21.3°(0.12), 23.0°(0.1), 26.7°(0.39), 32.2°(0.14), 32.7°(0.21), 33.2°(1.0), 36.3°(0.38), 36.7°(0.41), 42.1°(0.16), 49.0°(0.14), 50.0°(0.07), 52.1°(0.07), 53.2°(0.3), 54.3°(0.06), 56.6°(0.11), 57.0°(0.15), 58.1°(0.16), 68.3°(0.08), 68.9°(0.07), 71.0°(... | JVASP-154648 | 8.46 8.46 8.46
125 125 80
Ce 0.000 0.000 0.000
Ce 0.500 0.500 0.000
Ce 0.833 0.333 0.854
Ce 0.479 0.979 0.146
Ce 0.333 0.479 0.500
Ce 0.979 0.833 0.500
Ce 0.021 0.167 0.500
Ce 0.667 0.521 0.500
Ce 0.521 0.021 0.854
Ce 0.167 0.667 0.146
Si 0.250 0.250 0.000
Si 0.750 0.750 0.000
Si 0.884 0.384 0.268
Si 0.116 0.616 0.732
... |
Below is a description of a material. | The chemical formula is: TaBeIn.
The XRD pattern shows main peaks at: 13.0°(0.48), 26.2°(0.3), 34.8°(0.23), 37.3°(1.0), 39.8°(0.17), 44.1°(0.48), 53.9°(0.16), 62.4°(0.16), 65.8°(0.21), 68.9°(0.13), 75.0°(0.12), 76.6°(0.16), 79.6°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and ... | JVASP-71950 | 2.98 2.98 6.80
90 90 119
Ta 0.333 0.667 0.692
Be 0.000 0.000 0.992
In 0.667 0.333 0.316 |
Below is a description of a material. | The chemical formula is: YbPaO4.
The XRD pattern shows main peaks at: 28.7°(1.0), 32.6°(0.13), 33.7°(0.25), 47.6°(0.33), 48.4°(0.18), 55.8°(0.17), 57.3°(0.3), 59.5°(0.11), 70.8°(0.05), 76.9°(0.14), 78.2°(0.11), 88.0°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-103664 | 3.76 3.76 5.50
90 90 90
Yb 0.000 0.000 0.000
Pa 0.500 0.500 0.500
O 0.500 0.000 0.736
O 0.000 0.500 0.264
O 0.500 0.000 0.264
O 0.000 0.500 0.736 |
Below is a description of a material. | The chemical formula is: Ba2As.
The XRD pattern shows main peaks at: 9.8°(0.07), 25.1°(0.07), 27.0°(1.0), 29.7°(0.27), 30.5°(0.37), 32.1°(0.64), 35.9°(0.55), 47.2°(0.3), 47.8°(0.21), 51.6°(0.2), 59.2°(0.23), 60.7°(0.14), 76.0°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and at... | JVASP-15051 | 5.01 5.01 9.70
104 104 90
Ba 0.316 0.316 0.632
Ba 0.684 0.684 0.368
Ba 0.500 0.000 0.000
Ba 0.000 0.500 0.000
As 0.133 0.133 0.266
As 0.867 0.867 0.734 |
Below is a description of a material. | The chemical formula is: BeCd4Ni.
The XRD pattern shows main peaks at: 19.8°(0.86), 32.6°(0.06), 38.4°(1.0), 40.2°(0.84), 46.8°(0.3), 51.3°(0.2), 62.1°(0.34), 68.3°(0.32), 71.9°(0.13), 81.2°(0.11), 82.4°(0.3), 86.9°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-65156 | 5.49 5.49 5.49
60 60 60
Be 0.000 0.000 0.000
Cd 0.125 0.625 0.625
Cd 0.625 0.625 0.625
Cd 0.625 0.125 0.625
Cd 0.625 0.625 0.125
Ni 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: Th3Pd5.
The XRD pattern shows main peaks at: 23.1°(0.23), 25.7°(0.18), 26.7°(0.1), 34.8°(1.0), 35.6°(0.45), 37.4°(0.22), 40.5°(0.45), 44.4°(0.27), 48.6°(0.07), 52.9°(0.13), 54.5°(0.12), 61.7°(0.13), 65.4°(0.16), 66.8°(0.22), 68.7°(0.2), 88.5°(0.08).
Generate atomic structure description with la... | JVASP-91851 | 7.71 7.71 3.46
90 90 120
Th 0.729 0.000 0.000
Th 0.271 0.271 0.000
Th -0.000 0.729 0.000
Pd 0.333 0.667 0.000
Pd 0.667 0.333 0.000
Pd 0.364 0.000 0.500
Pd 0.636 0.636 0.500
Pd -0.000 0.364 0.500 |
Below is a description of a material. | The chemical formula is: ErSiPt2.
The XRD pattern shows main peaks at: 27.8°(0.17), 32.3°(0.49), 32.9°(0.72), 35.0°(0.77), 35.8°(1.0), 37.3°(0.59), 39.5°(0.38), 40.8°(0.8), 42.3°(0.32), 43.8°(0.47), 44.2°(0.57), 46.5°(0.14), 53.3°(0.19), 62.9°(0.21), 64.9°(0.18), 65.4°(0.58), 72.8°(0.26), 73.6°(0.18), 78.2°(0.16), 79.7... | JVASP-153915 | 5.49 6.95 7.24
90 90 90
Er 0.636 0.750 0.026
Er 0.136 0.250 0.474
Er 0.364 0.250 0.974
Er 0.864 0.750 0.526
Si 0.364 0.750 0.381
Si 0.864 0.250 0.119
Si 0.636 0.250 0.619
Si 0.136 0.750 0.881
Pt 0.090 0.950 0.184
Pt 0.590 0.050 0.316
Pt 0.910 0.450 0.816
Pt 0.410 0.550 0.684
Pt 0.910 0.050 0.816
Pt 0.410 0.950 0.684
Pt... |
Below is a description of a material. | The chemical formula is: UNi2.
The XRD pattern shows main peaks at: 20.9°(0.21), 21.6°(0.18), 23.5°(0.11), 30.2°(0.23), 36.6°(0.7), 39.0°(0.87), 42.9°(1.0), 44.0°(0.44), 60.2°(0.19), 65.9°(0.13), 67.5°(0.36), 70.2°(0.21), 72.6°(0.27), 77.8°(0.18).
Generate atomic structure description with lattice lengths, angles, coor... | JVASP-152020 | 4.91 4.91 8.24
90 90 120
U 0.667 0.333 0.056
U 0.333 0.667 0.556
U 0.333 0.667 0.944
U 0.667 0.333 0.444
Ni 0.000 0.000 0.000
Ni 0.000 0.000 0.500
Ni 0.669 0.835 0.250
Ni 0.165 0.835 0.250
Ni 0.165 0.331 0.250
Ni 0.331 0.165 0.750
Ni 0.835 0.165 0.750
Ni 0.835 0.669 0.750 |
Below is a description of a material. | The chemical formula is: MoKr.
The XRD pattern shows main peaks at: 37.1°(1.0), 53.5°(0.16), 66.9°(0.33), 79.0°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-127484 | 3.43 3.43 3.43
90 90 90
Mo 0.500 0.500 0.500
Kr 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: BaNaO3.
The XRD pattern shows main peaks at: 20.8°(0.52), 29.6°(1.0), 36.4°(0.52), 42.3°(0.43), 47.6°(0.25), 52.4°(0.41), 61.4°(0.24), 65.5°(0.13), 69.6°(0.18), 73.5°(0.17), 77.3°(0.08), 81.1°(0.06), 84.9°(0.23).
Generate atomic structure description with lattice lengths, angles, coordinates an... | JVASP-183594 | 4.27 4.27 4.27
90 90 90
Ba 0.000 0.000 0.000
Na 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: Li2Al.
The XRD pattern shows main peaks at: 18.5°(0.2), 21.4°(0.75), 27.3°(0.31), 29.4°(0.18), 39.2°(0.26), 39.8°(1.0), 40.5°(0.24), 42.7°(0.14), 46.2°(0.16), 48.4°(0.11), 55.8°(0.05), 57.6°(0.22), 59.4°(0.11), 71.5°(0.17), 72.7°(0.08), 73.2°(0.15), 85.8°(0.09).
Generate atomic structure descri... | JVASP-111323 | 5.33 5.33 4.46
90 90 128
Li 0.242 0.758 0.250
Li 0.758 0.242 0.750
Li 0.590 0.410 0.250
Li 0.410 0.590 0.750
Al 0.923 0.077 0.250
Al 0.077 0.923 0.750 |
Below is a description of a material. | The chemical formula is: Ga2Ag2Se3S.
The XRD pattern shows main peaks at: 26.7°(1.0), 42.8°(0.25), 44.7°(0.24), 45.3°(0.13), 50.6°(0.16), 51.7°(0.09), 55.0°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-109748 | 6.91 6.91 5.90
64 64 52
Ga 0.753 0.498 0.626
Ga 0.502 0.247 0.374
Ag 0.233 0.989 0.194
Ag 0.011 0.767 0.806
Se 0.860 0.140 -0.000
Se 0.596 0.880 0.741
Se 0.120 0.404 0.259
S 0.434 0.566 0.500 |
Below is a description of a material. | The chemical formula is: NiSnF6.
The XRD pattern shows main peaks at: 21.4°(0.1), 24.1°(1.0), 32.8°(0.38), 35.7°(0.17), 40.8°(0.15), 43.5°(0.17), 49.3°(0.16), 53.6°(0.36), 56.7°(0.08), 57.5°(0.17), 62.3°(0.14), 64.1°(0.14), 68.9°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-91977 | 5.49 5.49 5.49
54 54 54
Ni 0.500 0.500 0.500
Sn 0.000 0.000 0.000
F 0.251 0.899 0.601
F 0.899 0.601 0.251
F 0.399 0.749 0.101
F 0.101 0.399 0.749
F 0.749 0.101 0.399
F 0.601 0.251 0.899 |
Below is a description of a material. | The chemical formula is: Be2TlP.
The XRD pattern shows main peaks at: 13.1°(1.0), 26.3°(0.47), 28.8°(0.65), 31.7°(0.7), 39.4°(0.66), 39.9°(0.1), 41.1°(0.31), 43.3°(0.24), 49.5°(0.33), 49.9°(0.16), 58.6°(0.12), 59.6°(0.11), 61.3°(0.09), 62.4°(0.17), 66.2°(0.13), 67.5°(0.12), 69.1°(0.15), 70.2°(0.11), 73.8°(0.21), 81.4°(... | JVASP-70624 | 3.10 3.10 6.78
90 90 90
Be 0.000 0.000 0.850
Be 0.000 0.000 0.150
Tl 0.500 0.500 0.500
P 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: LaBe2Te.
The XRD pattern shows main peaks at: 20.8°(0.8), 28.4°(0.72), 35.4°(1.0), 40.5°(0.31), 42.3°(0.15), 46.0°(0.41), 51.7°(0.29), 58.7°(0.12), 60.0°(0.21), 63.0°(0.15), 66.4°(0.12), 70.5°(0.24), 72.9°(0.12), 75.0°(0.1), 80.0°(0.07), 82.0°(0.15).
Generate atomic structure description with l... | JVASP-70111 | 5.31 5.31 5.31
130 130 72
La 0.250 0.750 0.500
Be 0.000 0.000 0.000
Be 0.500 0.500 0.000
Te 0.750 0.250 0.500 |
Below is a description of a material. | The chemical formula is: Ho3PbC.
The XRD pattern shows main peaks at: 31.9°(1.0), 36.9°(0.55), 53.2°(0.4), 63.4°(0.48), 66.6°(0.14), 78.6°(0.06), 87.3°(0.19).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-163949 | 4.87 4.87 4.87
90 90 90
Ho 0.500 0.000 0.000
Ho -0.000 0.500 -0.000
Ho -0.000 0.000 0.500
Pb 0.500 0.500 0.500
C -0.000 0.000 -0.000 |
Below is a description of a material. | The chemical formula is: AlAsO4.
The XRD pattern shows main peaks at: 20.2°(0.91), 28.0°(0.99), 29.5°(0.86), 31.1°(0.14), 37.4°(1.0), 41.1°(0.17), 42.3°(0.54), 47.3°(0.26), 52.5°(0.12), 55.9°(0.66), 57.7°(0.68), 61.3°(0.16), 64.9°(0.17), 66.2°(0.1), 68.7°(0.15), 72.5°(0.44), 72.9°(0.12), 77.3°(0.1), 84.1°(0.08), 89.2°(... | JVASP-120122 | 4.40 4.40 2.87
90 90 93
Al 0.500 0.500 0.500
As 0.000 0.000 0.000
O 0.698 0.698 0.000
O 0.808 0.192 0.500
O 0.192 0.808 0.500
O 0.302 0.302 0.000 |
Below is a description of a material. | The chemical formula is: Mg3Zn.
The XRD pattern shows main peaks at: 9.3°(0.62), 18.7°(0.11), 32.6°(0.27), 34.0°(0.13), 37.9°(1.0), 43.7°(0.11), 50.9°(0.15), 58.2°(0.15), 71.6°(0.26).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-80742 | 3.17 3.17 9.49
90 90 119
Mg 0.000 0.000 0.000
Mg 0.667 0.333 0.728
Mg 0.667 0.333 0.272
Zn 0.000 0.000 0.500 |
Below is a description of a material. | The chemical formula is: NdAu.
The XRD pattern shows main peaks at: 34.3°(1.0), 49.2°(0.18), 61.4°(0.36), 72.2°(0.13), 82.4°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-7698 | 3.70 3.70 3.70
90 90 90
Nd 0.500 0.500 0.500
Au 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: MoH4O5.
The XRD pattern shows main peaks at: 13.8°(1.0), 22.3°(0.34), 23.2°(0.32), 24.1°(0.39), 26.3°(0.42), 27.8°(0.23), 29.7°(0.12), 32.4°(0.22), 33.1°(0.1), 42.2°(0.11), 43.3°(0.06), 45.6°(0.1), 46.1°(0.09), 47.3°(0.06), 48.2°(0.1), 51.8°(0.07), 52.2°(0.07), 54.2°(0.06).
Generate atomic stru... | JVASP-54729 | 3.98 6.61 7.90
76 90 90
Mo 0.038 -0.014 0.247
Mo 0.963 -0.014 0.747
H -0.239 0.662 0.176
H 0.358 0.427 0.553
H 0.836 0.370 0.626
H 0.239 0.662 0.676
H 0.642 0.427 0.053
H 0.164 0.370 0.126
H 0.368 0.595 0.944
H 0.632 0.595 0.444
O 0.041 0.272 0.649
O -0.002 -0.026 0.970
O 0.002 -0.026 0.470
O 0.460 0.529 0.061
O 0.540 ... |
Below is a description of a material. | The chemical formula is: NaTiO2.
The XRD pattern shows main peaks at: 16.1°(0.38), 32.6°(0.11), 35.1°(0.06), 36.4°(0.2), 41.2°(1.0), 52.5°(0.06), 57.2°(0.28), 62.0°(0.24), 67.4°(0.06), 77.2°(0.12), 89.4°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-15722 | 5.75 5.75 5.75
30 30 30
Na 0.000 0.000 0.000
Ti 0.500 0.500 0.500
O 0.763 0.763 0.763
O 0.237 0.237 0.237 |
Below is a description of a material. | The chemical formula is: TaTi3.
The XRD pattern shows main peaks at: 21.6°(0.5), 30.8°(0.4), 37.9°(1.0), 44.1°(0.45), 49.6°(0.24), 54.7°(0.19), 64.1°(0.29), 68.5°(0.12), 72.7°(0.07), 76.9°(0.34), 81.0°(0.1), 85.1°(0.06), 89.1°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and ato... | JVASP-109305 | 4.11 4.11 4.11
90 90 90
Ta 0.000 0.000 0.000
Ti 0.000 0.500 0.500
Ti 0.500 0.000 0.500
Ti 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: ZrV2.
The XRD pattern shows main peaks at: 34.6°(0.5), 40.8°(1.0), 42.7°(0.21), 61.9°(0.17), 66.2°(0.28), 72.9°(0.23).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-14883 | 5.19 5.19 5.19
60 60 60
Zr 0.875 0.875 0.875
Zr 0.125 0.125 0.125
V 0.500 0.500 0.500
V 0.500 0.500 -0.000
V -0.000 0.500 0.500
V 0.500 0.000 0.500 |
Below is a description of a material. | The chemical formula is: LiDySe2.
The XRD pattern shows main peaks at: 17.4°(0.94), 28.1°(0.29), 31.1°(0.53), 31.6°(1.0), 36.3°(0.34), 44.9°(0.77), 45.2°(0.36), 55.9°(0.29), 64.9°(0.06), 65.9°(0.06), 74.0°(0.12), 74.7°(0.14), 82.6°(0.06), 83.3°(0.1).
Generate atomic structure description with lattice lengths, angles, c... | JVASP-92216 | 8.02 10.65 7.01
29 55 41
Li 0.000 0.000 0.000
Li 0.750 0.500 0.000
Dy 0.500 0.000 0.000
Dy 0.250 0.500 -0.000
Se 0.252 0.000 0.495
Se 0.748 1.000 0.505
Se 0.498 0.500 0.505
Se 0.002 0.500 0.495 |
Below is a description of a material. | The chemical formula is: LiVCrO4.
The XRD pattern shows main peaks at: 18.5°(0.93), 18.7°(0.9), 35.9°(0.36), 36.3°(0.34), 37.4°(0.07), 38.0°(0.07), 43.9°(1.0), 62.9°(0.11), 63.8°(0.39), 64.6°(0.1), 79.9°(0.08), 81.3°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-42994 | 5.77 5.84 5.84
60 60 60
Li 0.125 0.125 0.125
Li 0.875 0.875 0.875
V -0.000 0.500 0.500
V 0.500 0.500 0.500
Cr 0.500 0.000 0.500
Cr 0.500 0.500 -0.000
O 0.257 0.265 0.265
O 0.259 0.264 0.717
O 0.259 0.717 0.264
O 0.714 0.265 0.265
O 0.286 0.735 0.735
O 0.741 0.736 0.283
O 0.741 0.283 0.736
O 0.743 0.735 0.735 |
Below is a description of a material. | The chemical formula is: H5C3SN.
The XRD pattern shows main peaks at: 17.6°(0.37), 19.6°(0.43), 23.2°(0.19), 25.0°(0.84), 26.1°(0.21), 26.5°(1.0), 27.6°(0.22), 29.3°(0.19), 34.5°(0.08), 35.5°(0.15), 36.6°(0.14), 38.2°(0.06), 39.2°(0.1), 39.8°(0.24), 41.4°(0.19), 43.3°(0.12), 46.4°(0.06), 49.6°(0.17), 52.0°(0.05), 53.7°... | JVASP-101814 | 4.94 5.57 7.80
69 66 85
H 0.318 0.904 0.863
H 0.035 0.376 0.840
H 0.463 0.605 0.113
H 0.481 0.745 0.458
H 0.621 0.948 0.208
H 0.035 0.876 0.340
H 0.463 0.105 0.613
H 0.481 0.245 0.958
H 0.621 0.448 0.708
H 0.318 0.404 0.363
C 0.576 0.244 0.804
C 0.362 0.107 0.766
C 0.576 0.744 0.304
C 0.362 0.607 0.266
C 0.867 0.616 0.... |
Below is a description of a material. | The chemical formula is: SmAs2Pd2.
The XRD pattern shows main peaks at: 33.0°(0.45), 34.2°(1.0), 42.4°(0.47), 45.6°(0.14), 48.0°(0.19), 54.7°(0.22), 60.9°(0.14), 61.4°(0.16), 71.4°(0.05), 72.2°(0.2), 86.7°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-56450 | 4.27 4.27 6.08
110 110 90
Sm 0.000 0.000 0.000
As 0.382 0.382 0.763
As 0.618 0.618 0.237
Pd 0.750 0.250 0.500
Pd 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: TbCoC2.
The XRD pattern shows main peaks at: 24.7°(0.37), 29.7°(0.2), 35.3°(1.0), 39.1°(0.24), 40.0°(0.18), 49.7°(0.19), 50.6°(0.13), 56.3°(0.08), 57.2°(0.15), 60.0°(0.06), 66.6°(0.07), 67.5°(0.08), 69.6°(0.13), 73.9°(0.11), 74.6°(0.08), 81.4°(0.09), 85.6°(0.08).
Generate atomic structure descr... | JVASP-15516 | 3.59 3.76 3.76
106 90 90
Tb 0.000 0.003 0.997
Co 0.500 0.621 0.379
C 0.500 0.158 0.538
C 0.500 0.462 0.842 |
Below is a description of a material. | The chemical formula is: LiTl3.
The XRD pattern shows main peaks at: 18.7°(0.31), 26.6°(0.25), 32.7°(1.0), 37.9°(0.5), 42.6°(0.15), 46.9°(0.12), 54.7°(0.36), 58.3°(0.07), 61.8°(0.05), 65.2°(0.43), 68.5°(0.12), 74.9°(0.06), 81.1°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and ... | JVASP-39187 | 4.75 4.75 4.75
90 90 90
Li 0.000 0.000 0.000
Tl 0.500 0.000 0.500
Tl 0.000 0.500 0.500
Tl 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: UAgF6.
The XRD pattern shows main peaks at: 16.8°(0.19), 19.3°(0.07), 23.8°(0.71), 25.7°(1.0), 30.8°(0.08), 33.9°(0.13), 38.0°(0.08), 39.2°(0.11), 43.0°(0.63), 46.4°(0.22), 48.7°(0.15), 52.8°(0.16), 54.9°(0.12), 55.8°(0.2), 64.2°(0.09), 66.9°(0.12), 69.5°(0.15), 77.2°(0.1).
Generate atomic stru... | JVASP-119068 | 5.29 5.29 9.19
90 90 90
U 0.000 0.000 0.000
U 0.000 0.000 0.500
Ag 0.500 0.500 0.250
Ag 0.500 0.500 0.750
F 0.280 0.280 0.000
F 0.720 0.720 0.000
F 0.720 0.280 0.500
F 0.280 0.720 0.500
F 0.205 0.205 0.344
F 0.795 0.795 0.656
F 0.795 0.795 0.344
F 0.795 0.205 0.844
F 0.795 0.205 0.156
F 0.205 0.205 0.656
F 0.205 0.795 ... |
Below is a description of a material. | The chemical formula is: Tc2Se3.
The XRD pattern shows main peaks at: 8.3°(0.29), 16.6°(0.22), 35.3°(1.0), 39.6°(0.14), 42.4°(0.07), 43.2°(0.36), 45.3°(0.1), 49.6°(0.2), 57.7°(0.3), 69.5°(0.15), 74.8°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-185623 | 3.20 3.20 10.81
81 81 59
Tc 0.603 0.603 0.190
Tc 0.397 0.397 0.810
Se 0.000 0.000 -0.000
Se 0.781 0.781 0.657
Se 0.219 0.219 0.343 |
Below is a description of a material. | The chemical formula is: HC.
The XRD pattern shows main peaks at: 39.2°(1.0), 62.4°(0.07), 71.1°(0.14), 76.2°(0.18), 84.4°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-121072 | 2.65 2.65 1.49
90 90 120
H 0.000 0.000 0.000
C 0.333 0.667 0.000 |
Below is a description of a material. | The chemical formula is: LiOsF6.
The XRD pattern shows main peaks at: 19.4°(0.46), 21.5°(1.0), 24.3°(0.89), 33.3°(0.33), 35.8°(0.16), 38.8°(0.22), 41.0°(0.44), 42.1°(0.17), 43.7°(0.13), 49.7°(0.16), 51.1°(0.1), 54.3°(0.31), 56.5°(0.14), 57.8°(0.19), 62.7°(0.12), 64.3°(0.11), 66.3°(0.09).
Generate atomic structure descr... | JVASP-91518 | 5.02 5.02 5.41
62 62 60
Li 0.500 0.500 0.500
Os 0.000 0.000 0.000
F 0.893 0.622 0.243
F 0.622 0.243 0.243
F 0.243 0.893 0.243
F 0.107 0.378 0.757
F 0.378 0.757 0.757
F 0.757 0.107 0.757 |
Below is a description of a material. | The chemical formula is: CuBiS2.
The XRD pattern shows main peaks at: 12.2°(0.36), 18.7°(0.19), 27.4°(0.96), 28.5°(1.0), 29.2°(0.62), 31.1°(0.11), 38.6°(0.39), 41.2°(0.34), 46.0°(0.18), 48.6°(0.33), 49.7°(0.3), 50.4°(0.21), 55.0°(0.33), 70.6°(0.15), 72.6°(0.08), 73.9°(0.06), 80.6°(0.07), 87.1°(0.06), 87.9°(0.06).
Gener... | JVASP-12471 | 3.95 6.28 14.47
90 90 90
Cu 0.250 0.241 0.172
Cu 0.250 0.741 0.328
Cu 0.750 0.759 0.828
Cu 0.750 0.259 0.672
Bi 0.250 0.735 0.561
Bi 0.750 0.265 0.439
Bi 0.250 0.235 0.939
Bi 0.750 0.765 0.061
S 0.750 0.625 0.680
S 0.250 0.375 0.320
S 0.750 0.125 0.820
S 0.250 0.875 0.180
S 0.250 0.143 0.598
S 0.750 0.357 0.098
S 0.250... |
Below is a description of a material. | The chemical formula is: Sr3PbN.
The XRD pattern shows main peaks at: 16.9°(0.13), 24.0°(0.2), 29.5°(1.0), 34.2°(0.57), 38.4°(0.08), 42.2°(0.09), 49.1°(0.39), 58.4°(0.4), 61.2°(0.14), 72.0°(0.06), 79.7°(0.19), 82.2°(0.19).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-191585 | 5.24 5.24 5.24
90 90 90
Pb 0.000 0.000 0.000
Sr 0.500 0.500 0.000
Sr 0.500 0.000 0.500
Sr 0.000 0.500 0.500
N 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: TaTiBe2.
The XRD pattern shows main peaks at: 26.3°(1.0), 32.5°(0.75), 42.1°(0.93), 46.1°(0.22), 46.6°(0.34), 53.6°(0.11), 54.2°(0.51), 64.1°(0.21), 67.6°(0.14), 68.0°(0.11), 73.7°(0.18), 74.2°(0.17), 77.4°(0.12), 83.3°(0.25).
Generate atomic structure description with lattice lengths, angles, ... | JVASP-70268 | 4.39 4.39 4.39
127 127 77
Ta 0.250 0.750 0.500
Ti 0.750 0.250 0.500
Be 0.000 0.000 0.000
Be 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: Ga2CuPt.
The XRD pattern shows main peaks at: 25.0°(0.22), 28.9°(0.09), 41.4°(1.0), 49.0°(0.11), 60.0°(0.16), 66.0°(0.05), 75.5°(0.33).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-182964 | 4.36 4.36 4.36
60 60 60
Ga 0.250 0.250 0.250
Ga 0.750 0.750 0.750
Cu 0.500 0.500 0.500
Pt -0.000 -0.000 -0.000 |
Below is a description of a material. | The chemical formula is: Mn7CdO12.
The XRD pattern shows main peaks at: 34.3°(1.0), 38.5°(0.1), 49.3°(0.26), 61.4°(0.47), 72.3°(0.11), 82.5°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-133165 | 6.41 6.41 6.41
109 109 109
Mn 0.500 0.000 0.500
Mn 0.000 0.500 0.500
Mn 0.500 0.500 -0.000
Mn 0.000 0.000 0.500
Mn 0.500 0.000 -0.000
Mn 0.000 0.500 -0.000
Mn 0.500 0.500 0.500
Cd 0.000 0.000 0.000
O 0.310 0.821 0.131
O 0.690 0.179 0.869
O 0.489 0.310 0.179
O 0.511 0.690 0.821
O 0.131 0.310 0.821
O 0.821 0.131 0.310
O ... |
Below is a description of a material. | The chemical formula is: RuN2.
The XRD pattern shows main peaks at: 28.6°(0.82), 33.6°(0.23), 41.0°(0.49), 44.7°(1.0), 54.0°(0.36), 59.3°(0.17), 67.2°(0.23), 69.9°(0.19), 70.6°(0.07), 77.2°(0.25), 77.9°(0.11), 85.0°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-35054 | 4.41 4.41 2.67
90 90 90
Ru 0.500 0.500 0.000
Ru 0.000 0.000 0.000
N 0.893 0.393 0.500
N 0.107 0.607 0.500
N 0.393 0.107 0.500
N 0.607 0.893 0.500 |
Below is a description of a material. | The chemical formula is: BeZnSb4.
The XRD pattern shows main peaks at: 17.4°(0.73), 28.7°(0.05), 33.7°(1.0), 35.3°(0.86), 41.0°(0.29), 44.8°(0.18), 54.1°(0.37), 59.3°(0.33), 62.4°(0.14), 70.0°(0.12), 71.0°(0.32), 74.6°(0.06), 77.4°(0.08), 84.5°(0.23), 88.9°(0.06).
Generate atomic structure description with lattice leng... | JVASP-65027 | 6.23 6.23 6.23
60 60 60
Be 0.000 0.000 0.000
Zn 0.250 0.250 0.250
Sb 0.126 0.625 0.625
Sb 0.625 0.625 0.625
Sb 0.625 0.126 0.625
Sb 0.625 0.625 0.126 |
Below is a description of a material. | The chemical formula is: Ba3VN3.
The XRD pattern shows main peaks at: 21.3°(0.21), 24.7°(0.11), 26.8°(1.0), 29.5°(0.66), 32.3°(0.42), 32.8°(0.5), 37.4°(0.19), 46.7°(0.37), 48.3°(0.21), 50.2°(0.16), 54.3°(0.16), 55.9°(0.11), 58.1°(0.19), 67.0°(0.14).
Generate atomic structure description with lattice lengths, angles, co... | JVASP-121654 | 8.33 8.33 5.55
90 90 119
Ba 0.918 0.639 0.250
Ba 0.721 0.082 0.250
Ba 0.361 0.279 0.250
Ba 0.082 0.361 0.750
Ba 0.279 0.918 0.750
Ba 0.639 0.721 0.750
V 0.667 0.333 0.750
V 0.333 0.667 0.250
N 0.872 0.559 0.750
N 0.688 0.128 0.750
N 0.441 0.312 0.750
N 0.128 0.441 0.250
N 0.312 0.872 0.250
N 0.559 0.688 0.250 |
Below is a description of a material. | The chemical formula is: Rb2NaScCl6.
The XRD pattern shows main peaks at: 24.4°(0.71), 30.0°(1.0), 34.8°(0.98), 42.9°(0.29), 50.0°(0.64), 59.4°(0.35), 62.3°(0.19), 73.4°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-109898 | 7.30 7.30 7.30
60 60 60
Rb 0.750 0.750 0.750
Rb 0.250 0.250 0.250
Na 0.500 0.500 0.500
Sc 0.000 0.000 0.000
Cl 0.760 0.240 0.240
Cl 0.240 0.240 0.760
Cl 0.240 0.760 0.760
Cl 0.240 0.760 0.240
Cl 0.760 0.240 0.760
Cl 0.760 0.760 0.240 |
Below is a description of a material. | The chemical formula is: BaHgBi.
The XRD pattern shows main peaks at: 20.0°(0.34), 23.1°(0.08), 32.9°(1.0), 38.8°(0.2), 47.2°(0.18), 51.8°(0.08), 58.7°(0.34), 62.7°(0.07), 69.0°(0.12), 72.6°(0.06), 78.6°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-160868 | 5.44 5.44 5.44
60 60 60
Ba 0.250 0.250 0.250
Hg 0.000 0.000 0.000
Bi 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: YMg3.
The XRD pattern shows main peaks at: 21.1°(0.36), 24.4°(0.19), 34.8°(1.0), 41.1°(0.16), 43.0°(0.05), 50.0°(0.16), 54.9°(0.08), 56.4°(0.07), 62.4°(0.34), 66.6°(0.05), 73.5°(0.09), 77.4°(0.05), 83.9°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and ... | JVASP-41517 | 5.16 5.16 5.16
60 60 60
Y 0.750 0.750 0.750
Mg 0.000 0.000 0.000
Mg 0.250 0.250 0.250
Mg 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: VC2O6.
The XRD pattern shows main peaks at: 17.5°(1.0), 22.4°(0.88), 32.0°(0.94), 35.4°(0.09), 42.0°(0.49), 45.6°(0.11), 47.3°(0.11), 52.8°(0.21), 53.7°(0.15), 59.7°(0.17), 60.7°(0.08), 68.1°(0.09), 89.6°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-30241 | 4.76 5.77 4.76
65 120 114
V 0.500 0.500 0.500
C 0.238 0.714 0.762
C 0.762 0.286 0.238
O 0.056 0.285 0.294
O 0.477 0.715 0.056
O 0.294 0.715 0.523
O 0.706 0.285 0.477
O 0.523 0.285 0.944
O 0.944 0.715 0.706 |
Below is a description of a material. | The chemical formula is: LuCr2Si2.
The XRD pattern shows main peaks at: 16.7°(0.11), 24.8°(0.57), 33.3°(0.14), 33.7°(0.22), 34.6°(0.63), 37.4°(1.0), 47.8°(0.37), 49.0°(0.3), 59.7°(0.15), 60.3°(0.28), 62.7°(0.18), 69.9°(0.11), 70.8°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates a... | JVASP-16724 | 3.81 3.81 5.96
108 108 90
Lu 0.000 0.000 0.000
Cr 0.250 0.750 0.500
Cr 0.750 0.250 0.500
Si 0.613 0.613 0.227
Si 0.387 0.387 0.773 |
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