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: Nd2AgIr.
The XRD pattern shows main peaks at: 35.0°(1.0), 50.4°(0.19), 62.9°(0.36), 74.0°(0.11), 84.6°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-38802 | 5.12 5.12 5.12
60 60 60
Nd 0.000 0.000 0.000
Nd 0.500 0.500 0.500
Ag 0.250 0.250 0.250
Ir 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: Nb2N.
The XRD pattern shows main peaks at: 33.5°(0.18), 35.8°(0.21), 38.1°(1.0), 49.8°(0.2), 59.9°(0.2), 65.8°(0.2), 71.8°(0.17), 73.3°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-89924 | 5.02 5.35 5.35
119 89 90
Nb 0.248 0.334 0.334
Nb 0.248 0.666 0.000
Nb 0.248 -0.000 0.666
Nb 0.752 0.666 0.666
Nb 0.752 0.334 1.000
Nb 0.752 -0.000 0.334
N 0.500 0.667 0.333
N 0.500 0.333 0.667
N 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: MgSeO.
The XRD pattern shows main peaks at: 23.7°(0.77), 24.5°(1.0), 34.3°(0.58), 41.7°(0.74), 48.9°(0.84), 50.1°(0.14), 55.1°(0.16), 56.2°(0.15), 67.2°(0.33), 76.1°(0.11), 81.4°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-118703 | 4.33 4.33 3.64
90 90 120
Mg 0.000 0.000 0.000
Se 0.667 0.333 0.000
O 0.333 0.667 0.000 |
Below is a description of a material. | The chemical formula is: Mg2CrN3.
The XRD pattern shows main peaks at: 17.8°(0.29), 25.2°(0.29), 31.1°(0.47), 36.0°(1.0), 40.4°(0.06), 48.3°(0.2), 55.1°(0.27), 55.5°(0.13), 64.7°(0.21), 67.6°(0.22).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-172927 | 5.75 5.79 4.99
90 90 120
Mg 0.325 0.333 0.472
Mg 0.675 0.008 0.472
Mg 0.675 0.667 0.972
Mg 0.325 0.992 0.972
Cr 0.000 0.669 0.480
Cr -0.000 0.331 0.980
N 0.299 0.333 0.900
N 0.701 0.034 0.900
N 0.701 0.667 0.400
N 0.299 0.966 0.400
N 0.000 0.629 0.847
N -0.000 0.371 0.347 |
Below is a description of a material. | The chemical formula is: NaC4N3.
The XRD pattern shows main peaks at: 10.0°(0.09), 12.2°(0.09), 20.1°(0.26), 20.5°(0.21), 23.9°(0.12), 24.6°(0.15), 25.4°(0.21), 26.4°(0.19), 27.2°(0.17), 30.1°(1.0), 31.3°(0.31), 35.8°(0.06), 37.2°(0.1), 38.3°(0.06), 39.4°(0.2), 40.1°(0.06), 46.2°(0.08), 48.4°(0.13), 50.1°(0.06), 51.3°(... | JVASP-55128 | 3.65 7.70 9.21
105 88 101
Na 0.169 0.844 0.845
Na 0.831 0.156 0.155
C 0.250 0.819 0.202
C 0.298 0.706 0.293
C 0.380 0.533 0.227
C 0.702 0.294 0.707
C 0.620 0.467 0.773
C 0.750 0.181 0.798
C 0.240 0.761 0.450
C 0.760 0.239 0.550
N 0.190 0.803 0.579
N 0.810 0.197 0.421
N 0.445 0.386 0.172
N 0.211 0.913 0.126
N 0.789 0.08... |
Below is a description of a material. | The chemical formula is: BeNiSb2.
The XRD pattern shows main peaks at: 11.3°(0.07), 22.8°(0.34), 30.7°(1.0), 34.4°(0.11), 36.8°(0.25), 40.7°(0.5), 45.3°(0.54), 46.5°(0.07), 47.2°(0.2), 54.4°(0.11), 59.0°(0.18), 63.5°(0.11), 64.0°(0.08), 68.0°(0.21), 70.1°(0.05), 71.5°(0.06), 74.2°(0.07), 77.3°(0.22), 78.2°(0.06), 88.3°... | JVASP-71492 | 3.13 3.13 7.82
90 90 90
Be 0.000 0.000 0.573
Ni 0.500 0.500 0.681
Sb 0.000 0.000 0.901
Sb 0.500 0.500 0.345 |
Below is a description of a material. | The chemical formula is: LaAg2.
The XRD pattern shows main peaks at: 30.9°(0.15), 32.6°(1.0), 37.4°(0.57), 38.6°(0.1), 50.3°(0.21), 54.7°(0.07), 61.8°(0.1), 64.1°(0.24), 67.1°(0.08), 71.3°(0.07), 88.3°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-149092 | 6.03 6.03 6.03
132 105 92
La 0.781 0.531 0.250
La 0.219 0.469 0.750
Ag 0.203 0.166 0.037
Ag 0.629 0.166 0.463
Ag 0.371 0.834 0.537
Ag 0.797 0.834 0.963 |
Below is a description of a material. | The chemical formula is: SiAs.
The XRD pattern shows main peaks at: 18.6°(0.38), 19.8°(0.7), 24.5°(1.0), 31.8°(0.14), 34.0°(0.09), 37.7°(0.94), 40.6°(0.65), 45.8°(0.07), 50.1°(0.32), 52.1°(0.22), 56.0°(0.08), 56.8°(0.17), 62.0°(0.1), 62.8°(0.06), 66.2°(0.12), 72.3°(0.05).
Generate atomic structure description with latt... | JVASP-137205 | 6.88 5.68 3.97
110 54 78
Si 0.640 0.304 0.830
Si 0.490 0.604 0.635
As 0.058 0.936 0.931
As 0.586 0.938 0.403 |
Below is a description of a material. | The chemical formula is: PaNi3.
The XRD pattern shows main peaks at: 22.8°(0.47), 32.5°(0.36), 40.0°(1.0), 46.6°(0.47), 52.4°(0.2), 57.9°(0.17), 68.0°(0.3), 72.7°(0.11), 77.3°(0.07), 81.9°(0.38), 86.4°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-126320 | 3.90 3.90 3.90
90 90 90
Pa 0.000 0.000 0.000
Ni 0.000 0.500 0.500
Ni 0.500 0.000 0.500
Ni 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: V3AuC.
The XRD pattern shows main peaks at: 22.2°(0.49), 31.6°(0.58), 39.0°(1.0), 45.3°(0.54), 51.0°(0.25), 56.3°(0.24), 66.0°(0.33), 70.6°(0.13), 75.1°(0.1), 79.4°(0.37), 83.7°(0.12), 88.0°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-191976 | 4.00 4.00 4.00
90 90 90
C 0.000 0.000 0.000
Au 0.500 0.500 0.500
V 0.000 0.500 0.000
V 0.000 0.000 0.500
V 0.500 0.000 0.000 |
Below is a description of a material. | The chemical formula is: K3AuO.
The XRD pattern shows main peaks at: 17.0°(0.57), 24.1°(0.86), 29.6°(1.0), 34.4°(0.6), 38.6°(0.32), 42.4°(0.4), 49.4°(0.44), 52.6°(0.19), 55.7°(0.18), 58.6°(0.4), 61.5°(0.15), 64.3°(0.08), 67.1°(0.21), 72.4°(0.07), 75.0°(0.12), 77.6°(0.11), 80.1°(0.17), 82.7°(0.18), 85.2°(0.09), 87.7°(0.... | JVASP-2922 | 5.22 5.22 5.22
90 90 90
K 0.000 0.500 0.500
K 0.500 0.500 0.000
K 0.500 0.000 0.500
Au 0.000 0.000 0.000
O 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: PdW.
The XRD pattern shows main peaks at: 19.2°(0.12), 37.9°(0.07), 38.9°(0.37), 39.6°(1.0), 45.8°(0.72), 66.3°(0.24), 67.2°(0.2), 79.6°(0.14), 80.5°(0.27), 80.9°(0.13), 85.2°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-106014 | 4.90 4.90 4.90
32 32 32
Pd 0.000 0.000 0.000
W 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: HfPdPb.
The XRD pattern shows main peaks at: 23.9°(0.12), 27.7°(0.38), 39.6°(1.0), 46.8°(0.06), 49.0°(0.11), 57.3°(0.16), 64.8°(0.15), 71.9°(0.32), 85.3°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-156363 | 4.55 4.55 4.55
60 60 60
Hf 0.250 0.250 0.250
Pd 0.000 0.000 0.000
Pb 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: LiTiS2.
The XRD pattern shows main peaks at: 14.4°(0.6), 33.4°(1.0), 42.2°(0.69), 53.2°(0.33), 54.2°(0.25), 55.4°(0.09), 60.0°(0.07), 64.3°(0.12), 70.1°(0.14), 79.4°(0.08), 84.3°(0.16), 88.1°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-16170 | 3.44 3.44 6.17
90 90 120
Li 0.000 0.000 0.500
Ti 0.000 0.000 0.000
S 0.333 0.667 0.239
S 0.667 0.333 0.761 |
Below is a description of a material. | The chemical formula is: Ba4TaFe.
The XRD pattern shows main peaks at: 15.9°(0.14), 18.4°(0.07), 26.1°(0.21), 30.8°(1.0), 32.2°(0.45), 37.3°(0.07), 46.1°(0.09), 49.1°(0.38), 53.8°(0.33), 63.3°(0.13), 64.1°(0.19), 75.8°(0.24), 87.7°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates a... | JVASP-66660 | 6.82 6.82 6.82
60 60 60
Ba 0.126 0.625 0.625
Ba 0.625 0.625 0.625
Ba 0.625 0.126 0.625
Ba 0.625 0.625 0.126
Ta 0.000 0.000 0.000
Fe 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: SmZnGa.
The XRD pattern shows main peaks at: 23.2°(0.16), 33.5°(1.0), 40.7°(0.55), 48.7°(0.11), 53.7°(0.28), 65.3°(0.27), 69.5°(0.26), 74.1°(0.09), 88.2°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-35077 | 4.43 4.43 7.48
90 90 119
Sm 0.000 0.000 0.500
Sm 0.000 0.000 0.000
Zn 0.333 0.667 0.750
Zn 0.667 0.333 0.250
Ga 0.333 0.667 0.250
Ga 0.667 0.333 0.750 |
Below is a description of a material. | The chemical formula is: DyRhO3.
The XRD pattern shows main peaks at: 25.7°(0.18), 30.8°(0.15), 33.0°(1.0), 34.3°(0.21), 39.6°(0.05), 42.6°(0.08), 46.7°(0.1), 47.9°(0.12), 48.3°(0.1), 51.8°(0.13), 58.1°(0.06), 60.6°(0.16), 63.0°(0.07), 69.2°(0.09), 85.6°(0.05).
Generate atomic structure description with lattice lengths... | JVASP-143733 | 5.23 5.81 7.59
90 90 90
Dy 0.032 0.414 0.250
Dy 0.968 0.586 0.750
Dy 0.532 0.086 0.750
Dy 0.468 0.914 0.250
Rh 0.000 0.000 0.000
Rh 0.500 0.500 0.000
Rh 0.000 0.000 0.500
Rh 0.500 0.500 0.500
O 0.364 0.448 0.750
O 0.636 0.552 0.250
O 0.826 0.310 0.561
O 0.174 0.690 0.439
O 0.326 0.190 0.439
O 0.674 0.810 0.939
O 0.674 ... |
Below is a description of a material. | The chemical formula is: Zn2CuRh.
The XRD pattern shows main peaks at: 10.8°(1.0), 12.7°(0.35), 17.6°(0.17), 21.0°(0.23), 21.7°(0.2), 25.5°(0.07), 27.3°(0.12), 31.2°(0.08), 33.3°(0.07), 39.2°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-76973 | 9.57 9.86 9.86
61 60 60
Zn 0.753 0.000 -0.000
Zn 0.247 -0.000 0.000
Cu 0.000 0.000 0.000
Rh 0.500 -0.000 -0.000 |
Below is a description of a material. | The chemical formula is: SiPt3.
The XRD pattern shows main peaks at: 22.6°(0.21), 32.2°(0.41), 38.0°(0.66), 39.7°(1.0), 46.2°(0.41), 50.6°(0.31), 52.0°(0.19), 67.3°(0.13), 70.9°(0.28), 72.1°(0.19), 76.7°(0.22), 80.0°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-154301 | 5.56 5.56 7.87
90 90 90
Si 0.500 0.000 0.250
Si 0.000 0.500 0.250
Si 0.000 0.500 0.750
Si 0.500 0.000 0.750
Pt 0.182 0.682 0.000
Pt 0.818 0.318 0.000
Pt 0.318 0.182 0.000
Pt 0.682 0.818 0.000
Pt 0.000 0.000 0.250
Pt 0.500 0.500 0.750
Pt 0.000 0.000 0.750
Pt 0.500 0.500 0.250
Pt 0.318 0.818 0.500
Pt 0.682 0.182 0.500
Pt... |
Below is a description of a material. | The chemical formula is: CdSiO.
The XRD pattern shows main peaks at: 10.4°(0.43), 21.0°(1.0), 23.5°(0.33), 29.8°(0.62), 31.7°(0.2), 36.8°(0.21), 38.3°(0.09), 42.7°(0.17), 44.1°(0.13), 48.1°(0.38), 49.3°(0.09), 53.0°(0.26), 58.7°(0.07), 62.0°(0.1), 66.2°(0.17), 70.3°(0.08), 71.3°(0.05), 74.3°(0.06), 82.1°(0.06), 85.9°(0... | JVASP-134475 | 4.23 4.23 8.47
90 90 90
Cd 0.000 0.000 0.262
Si 0.000 0.000 0.765
O 0.000 0.000 0.008 |
Below is a description of a material. | The chemical formula is: ThGaPt.
The XRD pattern shows main peaks at: 24.1°(0.24), 27.9°(0.15), 32.6°(0.81), 35.6°(1.0), 37.2°(0.26), 42.4°(0.31), 43.4°(0.26), 44.1°(0.25), 49.3°(0.1), 51.5°(0.15), 56.5°(0.2), 59.0°(0.14), 62.8°(0.19), 67.8°(0.26), 70.1°(0.12), 73.9°(0.06), 75.6°(0.12), 78.2°(0.11).
Generate atomic str... | JVASP-150355 | 7.39 7.39 4.10
90 90 120
Th 0.588 -0.000 0.500
Th -0.000 0.588 0.500
Th 0.412 0.412 0.500
Ga 0.242 -0.000 0.000
Ga -0.000 0.242 0.000
Ga 0.758 0.758 0.000
Pt 0.333 0.667 0.000
Pt 0.667 0.333 0.000
Pt 0.000 0.000 0.500 |
Below is a description of a material. | The chemical formula is: TaMoS4.
The XRD pattern shows main peaks at: 14.5°(1.0), 16.3°(0.06), 29.3°(0.05), 31.9°(0.37), 33.0°(0.38), 37.3°(0.39), 40.2°(0.42), 44.6°(0.07), 47.3°(0.21), 51.3°(0.15), 56.1°(0.2), 58.3°(0.15), 60.8°(0.05), 71.3°(0.05), 74.4°(0.07), 87.5°(0.08).
Generate atomic structure description with l... | JVASP-105393 | 3.28 5.69 6.38
72 90 90
Ta 0.500 0.664 0.500
Mo 0.000 0.168 0.500
S 0.000 0.410 0.757
S 0.500 0.919 0.754
S 0.000 0.583 0.242
S 0.500 0.089 0.246 |
Below is a description of a material. | The chemical formula is: LiFeN.
The XRD pattern shows main peaks at: 21.7°(1.0), 33.4°(0.38), 40.2°(0.56), 44.3°(0.17), 56.6°(0.19), 59.6°(0.1), 64.2°(0.11), 77.2°(0.09), 78.7°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-108953 | 3.11 3.09 4.09
90 90 119
Li 0.665 0.332 0.000
Fe 0.002 0.001 0.500
N 0.666 0.333 0.500 |
Below is a description of a material. | The chemical formula is: Be2NbPd.
The XRD pattern shows main peaks at: 28.6°(0.63), 31.7°(0.9), 43.2°(1.0), 45.4°(0.44), 54.5°(0.37), 59.2°(0.09), 66.1°(0.12), 68.7°(0.2), 73.6°(0.16), 75.2°(0.15), 77.6°(0.15), 82.3°(0.28).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-71250 | 2.83 2.83 6.24
90 90 90
Be 0.000 0.000 0.716
Be 0.000 0.000 0.284
Nb 0.500 0.500 0.000
Pd 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: MnCo4O8.
The XRD pattern shows main peaks at: 19.0°(1.0), 21.9°(0.13), 37.1°(0.17), 37.5°(0.1), 38.5°(0.21), 39.1°(0.19), 44.7°(0.65), 46.0°(0.33), 49.8°(0.05), 58.9°(0.09), 64.2°(0.09), 66.0°(0.35), 82.5°(0.07), 84.0°(0.09).
Generate atomic structure description with lattice lengths, angles, c... | JVASP-44629 | 5.68 5.66 5.66
88 120 120
Mn 0.500 -0.000 0.000
Co -0.000 0.500 0.500
Co -0.000 -0.000 -0.000
Co 0.500 0.500 0.000
Co 0.000 0.500 -0.000
O 0.534 0.273 0.795
O 0.029 0.763 0.784
O 0.518 0.763 0.784
O 0.035 0.279 0.790
O 0.965 0.721 0.210
O 0.482 0.237 0.216
O 0.971 0.237 0.216
O 0.466 0.727 0.205 |
Below is a description of a material. | The chemical formula is: YBe2Cl.
The XRD pattern shows main peaks at: 16.2°(1.0), 24.3°(0.18), 29.3°(0.23), 32.6°(0.28), 34.7°(0.3), 38.5°(0.65), 41.1°(0.1), 48.3°(0.23), 49.8°(0.21), 52.7°(0.19), 56.2°(0.08), 58.9°(0.07), 60.8°(0.16), 62.1°(0.16), 73.1°(0.11), 75.5°(0.06), 79.0°(0.05), 82.4°(0.07), 85.8°(0.13), 89.2°(... | JVASP-70077 | 3.66 3.66 5.49
90 90 90
Y 0.000 0.000 0.500
Be 0.000 0.500 0.000
Be 0.500 0.000 0.000
Cl 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: CuBr.
The XRD pattern shows main peaks at: 27.1°(1.0), 45.0°(0.69), 53.4°(0.45), 65.6°(0.12), 83.1°(0.23).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-1948 | 4.03 4.03 4.03
59 60 60
Cu 0.250 0.250 0.250
Br 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: BaMgO2.
The XRD pattern shows main peaks at: 14.8°(0.72), 26.5°(0.45), 29.9°(0.39), 30.5°(1.0), 37.8°(0.55), 40.4°(0.41), 40.8°(0.24), 49.0°(0.38), 53.5°(0.3), 54.6°(0.17), 56.9°(0.1), 61.7°(0.08), 63.5°(0.18), 63.8°(0.26), 68.8°(0.09), 70.0°(0.14), 75.1°(0.08), 79.9°(0.17), 86.5°(0.07), 88.5°(... | JVASP-133930 | 3.36 3.36 5.97
90 90 90
Ba 0.000 0.000 0.294
Mg 0.500 0.500 0.819
O 0.000 0.000 0.746
O 0.500 0.500 0.141 |
Below is a description of a material. | The chemical formula is: NaCdO3.
The XRD pattern shows main peaks at: 21.0°(0.91), 29.9°(1.0), 42.8°(0.43), 48.2°(0.37), 53.1°(0.4), 62.1°(0.22), 66.4°(0.16), 70.5°(0.16), 78.4°(0.08), 82.3°(0.08), 86.1°(0.19).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-38546 | 4.22 4.22 4.22
90 90 90
Na 0.000 0.000 0.000
Cd 0.500 0.500 0.500
O 0.000 0.500 0.500
O 0.500 0.500 0.000
O 0.500 0.000 0.500 |
Below is a description of a material. | The chemical formula is: Ta2CrNO5.
The XRD pattern shows main peaks at: 19.4°(0.11), 21.1°(0.35), 26.7°(1.0), 33.2°(0.08), 34.9°(0.9), 38.1°(0.32), 52.7°(0.53), 55.1°(0.11), 62.0°(0.12), 66.8°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-142615 | 4.73 9.17 4.73
90 89 90
Ta 0.006 0.340 0.992
Ta 0.004 0.665 0.976
Ta 0.498 0.165 0.494
Ta 0.514 0.822 0.503
Cr 0.497 0.502 0.505
Cr 0.998 0.001 0.004
N 0.695 0.666 0.700
N 0.200 0.497 0.802
O 0.693 0.330 0.697
O 0.693 0.002 0.700
O 0.297 0.005 0.304
O 0.303 0.669 0.306
O 0.806 0.500 0.199
O 0.799 0.165 0.199
O 0.806 0.... |
Below is a description of a material. | The chemical formula is: SmAg.
The XRD pattern shows main peaks at: 34.5°(1.0), 49.5°(0.17), 61.7°(0.34), 72.7°(0.11), 83.0°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-14568 | 3.68 3.68 3.68
90 90 90
Sm 0.500 0.500 0.500
Ag 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Tm2InAg.
The XRD pattern shows main peaks at: 34.6°(1.0), 35.6°(0.5), 48.4°(0.1), 51.2°(0.18), 61.5°(0.19), 63.3°(0.37), 73.1°(0.12), 75.3°(0.06), 85.6°(0.08), 86.2°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-105975 | 3.57 3.57 7.52
90 90 90
Tm 0.000 0.000 0.765
Tm 0.000 0.000 0.235
In 0.500 0.500 0.500
Ag 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: YAsO3.
The XRD pattern shows main peaks at: 31.5°(1.0), 38.8°(0.06), 45.2°(0.34), 56.1°(0.39), 65.8°(0.21), 74.8°(0.16), 83.4°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-180239 | 4.02 4.02 4.02
90 90 90
Y 0.000 0.000 0.000
As 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: Hf2N3O.
The XRD pattern shows main peaks at: 18.4°(0.95), 30.4°(0.26), 32.1°(1.0), 35.8°(0.39), 44.8°(0.75), 48.8°(0.24), 50.0°(0.14), 57.3°(0.2), 59.7°(0.17), 63.3°(0.06), 66.2°(0.23), 67.2°(0.15), 72.8°(0.2), 75.5°(0.13).
Generate atomic structure description with lattice lengths, angles, coo... | JVASP-184132 | 5.57 5.57 2.94
90 90 120
Hf 0.667 0.333 0.500
Hf 0.333 0.667 0.500
N 0.500 0.500 0.000
N 0.500 0.000 0.000
N 0.000 0.500 -0.000
O 0.000 0.000 -0.000 |
Below is a description of a material. | The chemical formula is: YBPd3.
The XRD pattern shows main peaks at: 36.1°(1.0), 41.9°(0.55), 60.7°(0.34), 72.7°(0.39), 76.5°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-35821 | 4.31 4.31 4.31
90 90 90
Y 0.000 0.000 0.000
B 0.500 0.500 0.500
Pd 0.000 0.500 0.500
Pd 0.500 0.500 0.000
Pd 0.500 0.000 0.500 |
Below is a description of a material. | The chemical formula is: VCr2Te4.
The XRD pattern shows main peaks at: 29.4°(1.0), 29.7°(0.97), 38.9°(0.32), 39.4°(0.33), 45.2°(0.65), 51.5°(0.11), 52.0°(0.19), 54.0°(0.08), 54.7°(0.15), 55.1°(0.28), 60.1°(0.1), 61.7°(0.08), 77.4°(0.09), 78.3°(0.09), 83.6°(0.08).
Generate atomic structure description with lattice lengt... | JVASP-35500 | 4.00 6.96 7.29
117 105 90
V 0.000 0.000 0.000
Cr 0.259 0.277 0.517
Cr 0.741 0.723 0.483
Te 0.120 0.453 0.240
Te 0.880 0.547 0.760
Te 0.369 0.031 0.739
Te 0.631 0.969 0.261 |
Below is a description of a material. | The chemical formula is: NbInRu2.
The XRD pattern shows main peaks at: 39.9°(1.0), 57.7°(0.16), 72.5°(0.34), 86.1°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-193456 | 4.52 4.52 4.52
120 120 89
Ru 0.500 0.500 1.000
Ru -0.000 0.000 0.000
Nb 0.250 0.750 0.500
In 0.750 0.250 0.500 |
Below is a description of a material. | The chemical formula is: ZnCuO3.
The XRD pattern shows main peaks at: 34.1°(1.0), 42.0°(0.06), 48.9°(0.39), 61.0°(0.36), 71.7°(0.23), 81.8°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-183001 | 3.72 3.72 3.72
90 90 90
Zn 0.000 0.000 0.000
Cu 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: WS2.
The XRD pattern shows main peaks at: 2.6°(1.0), 5.3°(0.17), 13.2°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-28816 | 3.19 3.19 33.48
90 90 60
W 0.667 0.667 0.276
W 0.667 0.667 0.651
W 0.333 0.333 0.089
W 0.333 0.333 0.463
S 0.667 0.667 0.042
S 0.667 0.667 0.416
S 0.333 0.333 0.229
S 0.333 0.333 0.604
S 0.667 0.667 0.136
S 0.667 0.667 0.510
S 0.333 0.333 0.323
S 0.333 0.333 0.698 |
Below is a description of a material. | The chemical formula is: Mg3Tl.
The XRD pattern shows main peaks at: 19.7°(1.0), 28.0°(0.82), 34.4°(0.9), 39.9°(0.4), 44.9°(0.52), 49.5°(0.37), 57.8°(0.3), 61.6°(0.23), 65.4°(0.17), 69.0°(0.36), 72.5°(0.09), 76.0°(0.11), 79.4°(0.19), 89.5°(0.15).
Generate atomic structure description with lattice lengths, angles, coord... | JVASP-100203 | 4.51 4.51 4.51
90 90 90
Mg 0.500 0.500 0.000
Mg 0.500 0.000 0.500
Mg 0.000 0.500 0.500
Tl 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: CNCl.
The XRD pattern shows main peaks at: 22.7°(0.27), 29.0°(1.0), 33.0°(0.36), 35.9°(0.24), 40.1°(0.17), 44.3°(0.08), 48.8°(0.09), 52.9°(0.12), 56.5°(0.11), 60.2°(0.09), 62.1°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-117876 | 3.73 5.43 5.64
90 90 90
C 0.500 0.500 0.566
C 0.000 0.000 0.434
N 0.000 0.000 0.641
N 0.500 0.500 0.359
Cl 0.500 0.500 0.853
Cl 0.000 0.000 0.147 |
Below is a description of a material. | The chemical formula is: Li2UBr6.
The XRD pattern shows main peaks at: 14.0°(0.25), 14.9°(0.5), 20.5°(0.51), 28.3°(0.06), 29.6°(1.0), 30.1°(0.12), 32.1°(0.19), 33.3°(0.16), 38.8°(0.49), 45.8°(0.36), 50.9°(0.24), 55.5°(0.18), 58.5°(0.06), 61.5°(0.13), 77.3°(0.15).
Generate atomic structure description with lattice lengt... | JVASP-104728 | 6.86 6.86 6.31
90 90 120
Li 0.333 0.667 0.500
Li 0.667 0.333 0.500
U 0.000 0.000 0.500
Br 0.663 0.663 0.748
Br 0.000 0.337 0.748
Br 0.337 0.000 0.748
Br 0.337 0.337 0.252
Br -0.000 0.663 0.252
Br 0.663 -0.000 0.252 |
Below is a description of a material. | The chemical formula is: TmI3.
The XRD pattern shows main peaks at: 9.2°(0.3), 30.3°(1.0), 34.0°(0.47), 36.9°(0.2), 44.7°(0.11), 48.8°(0.18), 51.3°(0.09), 58.5°(0.3), 71.5°(0.06), 81.6°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-124529 | 3.73 3.73 9.65
90 90 90
Tm 0.250 0.250 0.125
I 0.250 0.250 0.625
I 0.750 0.750 0.314
I 0.750 0.750 0.936 |
Below is a description of a material. | The chemical formula is: NeCu3.
The XRD pattern shows main peaks at: 23.7°(0.13), 33.7°(0.11), 41.6°(1.0), 48.4°(0.45), 54.6°(0.06), 70.9°(0.27), 85.7°(0.3).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-126995 | 3.76 3.76 3.76
90 90 90
Ne 0.000 0.000 0.000
Cu 0.000 0.500 0.500
Cu 0.500 0.000 0.500
Cu 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: LaCu2Sn2.
The XRD pattern shows main peaks at: 27.9°(0.13), 29.2°(0.12), 32.1°(0.61), 32.7°(1.0), 39.9°(0.68), 44.3°(0.22), 47.3°(0.23), 52.1°(0.31), 57.7°(0.23), 63.5°(0.19), 67.9°(0.24), 75.5°(0.1), 77.7°(0.05), 81.4°(0.08), 86.0°(0.08).
Generate atomic structure description with lattice leng... | JVASP-150855 | 4.52 4.52 10.62
90 90 90
La 0.250 0.250 0.763
La 0.750 0.750 0.237
Cu 0.750 0.250 0.000
Cu 0.250 0.750 0.000
Cu 0.250 0.250 0.365
Cu 0.750 0.750 0.635
Sn 0.750 0.250 0.500
Sn 0.250 0.750 0.500
Sn 0.250 0.250 0.125
Sn 0.750 0.750 0.875 |
Below is a description of a material. | The chemical formula is: CaSiO3.
The XRD pattern shows main peaks at: 35.3°(1.0), 43.5°(0.44), 50.7°(0.8), 63.3°(0.38), 74.6°(0.39), 85.2°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-8104 | 3.60 3.60 3.60
90 90 90
Ca 0.500 0.500 0.500
Si 0.000 0.000 0.000
O 0.000 0.500 0.000
O 0.000 0.000 0.500
O 0.500 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Ti5Zn3.
The XRD pattern shows main peaks at: 39.1°(1.0), 45.0°(0.32), 65.6°(0.09), 79.1°(0.19).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-194222 | 2.85 2.85 15.68
90 90 90
Ti 0.000 0.000 0.247
Ti 0.500 0.500 0.626
Ti 0.500 0.500 0.374
Ti -0.000 -0.000 0.753
Ti -0.000 -0.000 -0.000
Zn 0.500 0.500 0.121
Zn 0.500 0.500 0.879
Zn -0.000 -0.000 0.500 |
Below is a description of a material. | The chemical formula is: LiMnCo3O8.
The XRD pattern shows main peaks at: 19.0°(1.0), 37.4°(0.36), 39.1°(0.09), 45.3°(0.47), 49.5°(0.1), 59.7°(0.15), 65.5°(0.12), 66.3°(0.14), 69.7°(0.14), 84.0°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-43907 | 5.64 5.64 5.70
119 90 60
Li 0.500 -0.000 0.500
Mn 0.000 0.000 0.000
Co -0.000 0.500 0.000
Co 0.500 0.000 0.000
Co 0.500 0.500 0.000
O 0.235 0.028 0.793
O 0.235 0.530 0.793
O 0.267 0.465 0.198
O 0.737 0.028 0.793
O 0.263 0.972 0.207
O 0.733 0.535 0.802
O 0.765 0.470 0.207
O 0.765 0.972 0.207 |
Below is a description of a material. | The chemical formula is: PmCd3.
The XRD pattern shows main peaks at: 30.7°(0.25), 35.7°(1.0), 48.0°(0.15), 54.5°(0.21), 64.5°(0.17), 67.0°(0.24), 89.3°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-178384 | 6.73 6.73 4.99
90 90 119
Pm 0.667 0.333 0.250
Pm 0.333 0.667 0.750
Cd 0.839 0.161 0.750
Cd 0.321 0.161 0.750
Cd 0.839 0.679 0.750
Cd 0.161 0.839 0.250
Cd 0.679 0.839 0.250
Cd 0.161 0.321 0.250 |
Below is a description of a material. | The chemical formula is: TlI.
The XRD pattern shows main peaks at: 22.2°(0.35), 29.7°(1.0), 38.9°(0.31), 39.6°(0.1), 45.2°(0.06), 45.9°(0.11), 49.7°(0.23), 56.7°(0.21), 61.1°(0.05), 64.8°(0.22), 65.9°(0.09), 70.4°(0.06), 75.3°(0.05), 79.2°(0.06), 83.9°(0.07).
Generate atomic structure description with lattice lengths, ... | JVASP-127251 | 4.63 4.63 4.55
90 90 119
Tl 0.667 0.333 0.750
I 0.333 0.667 0.250 |
Below is a description of a material. | The chemical formula is: HoLuIn2.
The XRD pattern shows main peaks at: 34.3°(1.0), 49.2°(0.19), 61.3°(0.39), 72.2°(0.12), 82.4°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-104850 | 5.24 5.24 5.24
60 60 60
Ho 0.500 0.500 0.500
Lu 0.000 0.000 0.000
In 0.250 0.250 0.250
In 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: O2F.
The XRD pattern shows main peaks at: 25.5°(0.14), 27.2°(0.05), 37.7°(1.0), 52.4°(0.18), 54.4°(0.23), 62.7°(0.08), 66.3°(0.13), 75.5°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-135749 | 3.49 2.38 3.28
90 89 90
O -0.367 0.000 -0.545
O -0.367 0.000 0.094
F 0.133 0.000 -0.149 |
Below is a description of a material. | The chemical formula is: CrSiRu2.
The XRD pattern shows main peaks at: 30.1°(0.24), 43.2°(1.0), 53.5°(0.07), 62.7°(0.17), 71.1°(0.09), 79.1°(0.31).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-39740 | 4.19 4.19 4.19
60 60 60
Cr 0.250 0.250 0.250
Si 0.750 0.750 0.750
Ru 0.000 0.000 0.000
Ru 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: ZrFeSe4.
The XRD pattern shows main peaks at: 14.8°(0.34), 29.9°(0.08), 32.6°(1.0), 33.3°(0.48), 42.0°(0.42), 42.8°(0.11), 50.5°(0.16), 52.2°(0.25), 54.7°(0.2), 55.5°(0.07), 61.9°(0.15), 68.3°(0.05), 78.4°(0.06), 83.5°(0.06), 84.1°(0.06), 85.1°(0.07), 85.7°(0.08), 87.7°(0.08).
Generate atomic s... | JVASP-183876 | 5.97 3.61 6.02
90 89 90
Zr 1.000 0.500 0.500
Fe -0.000 0.000 -0.000
Se 0.274 0.000 0.316
Se 0.758 0.500 0.134
Se 0.242 0.500 0.866
Se 0.726 0.000 0.684 |
Below is a description of a material. | The chemical formula is: TbInCu4.
The XRD pattern shows main peaks at: 21.2°(0.07), 35.0°(0.56), 41.3°(1.0), 43.2°(0.22), 62.7°(0.21), 67.0°(0.33), 73.9°(0.24).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-18179 | 5.13 5.13 5.13
60 60 60
Tb 0.000 0.000 0.000
In 0.250 0.250 0.250
Cu 0.126 0.625 0.625
Cu 0.625 0.625 0.625
Cu 0.625 0.625 0.126
Cu 0.625 0.126 0.625 |
Below is a description of a material. | The chemical formula is: BaGeCl2.
The XRD pattern shows main peaks at: 17.9°(0.09), 20.9°(0.18), 25.4°(0.22), 27.6°(0.07), 33.1°(1.0), 36.2°(0.4), 42.1°(0.14), 42.4°(0.12), 50.1°(0.09), 52.1°(0.14), 57.0°(0.2), 58.8°(0.05), 63.1°(0.3), 69.4°(0.11), 71.7°(0.11), 86.1°(0.07), 87.9°(0.07).
Generate atomic structure descri... | JVASP-69371 | 4.97 4.97 4.26
90 90 90
Ba 0.000 0.000 0.500
Ge 0.500 0.500 0.500
Cl 0.500 0.000 0.000
Cl 0.000 0.500 0.000 |
Below is a description of a material. | The chemical formula is: NaLi2N.
The XRD pattern shows main peaks at: 29.0°(0.14), 33.6°(0.53), 48.2°(1.0), 60.0°(0.08), 70.6°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-7659 | 3.77 3.77 3.77
60 60 60
Na 0.000 0.000 0.000
Li 0.250 0.250 0.250
Li 0.750 0.750 0.750
N 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: NdCoSb2.
The XRD pattern shows main peaks at: 22.2°(0.05), 27.2°(0.2), 30.2°(0.18), 34.2°(1.0), 36.6°(0.05), 41.2°(0.37), 47.2°(0.06), 50.1°(0.11), 50.9°(0.12), 54.5°(0.14), 56.2°(0.06), 59.6°(0.11), 67.5°(0.1), 70.6°(0.2).
Generate atomic structure description with lattice lengths, angles, coo... | JVASP-90550 | 4.38 4.38 9.83
90 90 90
Nd 0.750 0.750 0.741
Nd 0.250 0.250 0.259
Co 0.250 0.750 0.500
Co 0.750 0.250 0.500
Sb 0.250 0.750 0.000
Sb 0.750 0.250 0.000
Sb 0.750 0.750 0.366
Sb 0.250 0.250 0.634 |
Below is a description of a material. | The chemical formula is: TiF3.
The XRD pattern shows main peaks at: 15.7°(1.0), 30.0°(0.44), 31.6°(0.29), 41.1°(0.29), 43.9°(0.22), 44.3°(0.12), 48.3°(0.17), 61.8°(0.13), 62.4°(0.09), 65.3°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-127607 | 3.02 3.02 5.80
98 98 92
Ti 0.158 0.158 0.247
F 0.221 0.221 0.562
F 0.645 0.645 0.254
F 0.976 0.976 0.937 |
Below is a description of a material. | The chemical formula is: HfNbOs2.
The XRD pattern shows main peaks at: 39.6°(1.0), 56.8°(0.18), 57.6°(0.08), 71.4°(0.32), 72.0°(0.17), 84.6°(0.05), 85.2°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-187216 | 3.20 4.58 4.58
90 90 90
Hf 0.500 0.500 0.500
Nb 0.500 0.000 0.000
Os 0.000 0.000 0.500
Os -0.000 0.500 0.000 |
Below is a description of a material. | The chemical formula is: Ba2ScHg.
The XRD pattern shows main peaks at: 18.3°(0.2), 30.1°(1.0), 35.5°(0.13), 43.1°(0.19), 47.2°(0.06), 53.5°(0.41), 62.6°(0.12), 71.1°(0.17), 86.9°(0.22).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-69016 | 5.93 5.93 5.93
60 60 60
Ba 0.250 0.250 0.250
Ba 0.750 0.750 0.750
Sc 0.500 0.500 0.500
Hg 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: CrCo3N3.
The XRD pattern shows main peaks at: 32.6°(0.61), 40.2°(1.0), 46.8°(0.27), 58.2°(0.55), 73.1°(0.14), 77.8°(0.26), 82.3°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-119675 | 6.34 6.34 3.89
90 90 120
Cr 0.667 0.333 0.750
Cr 0.333 0.667 0.250
Co 0.819 0.638 0.250
Co 0.819 0.181 0.250
Co 0.361 0.181 0.250
Co 0.181 0.362 0.750
Co 0.181 0.819 0.750
Co 0.639 0.819 0.750
N 0.831 0.661 0.750
N 0.831 0.169 0.750
N 0.339 0.169 0.750
N 0.169 0.339 0.250
N 0.169 0.831 0.250
N 0.661 0.831 0.250 |
Below is a description of a material. | The chemical formula is: VAgO.
The XRD pattern shows main peaks at: 18.1°(0.08), 32.4°(0.21), 36.6°(0.25), 37.3°(1.0), 49.6°(0.13), 57.7°(0.18), 66.4°(0.15), 70.3°(0.19), 70.7°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-180478 | 3.20 3.20 4.91
90 90 120
V 0.667 0.333 0.500
Ag 0.000 0.000 0.000
O 0.333 0.667 0.500 |
Below is a description of a material. | The chemical formula is: MnAlCo2.
The XRD pattern shows main peaks at: 27.1°(0.06), 31.4°(0.06), 45.0°(1.0), 65.6°(0.16), 83.1°(0.31).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-15246 | 4.03 4.03 4.03
60 60 60
Mn 0.500 0.500 0.500
Al 0.000 0.000 0.000
Co 0.250 0.250 0.250
Co 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: Sr2CdPb.
The XRD pattern shows main peaks at: 19.0°(0.07), 22.0°(0.1), 31.2°(1.0), 44.8°(0.2), 50.4°(0.05), 55.6°(0.43), 65.2°(0.13), 74.1°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-41996 | 5.72 5.72 5.72
60 60 60
Sr 0.500 0.500 0.500
Sr 0.000 0.000 0.000
Cd 0.250 0.250 0.250
Pb 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: NaSiS2.
The XRD pattern shows main peaks at: 13.1°(0.27), 29.4°(0.09), 30.4°(0.26), 34.2°(0.19), 36.8°(1.0), 43.0°(0.25), 46.6°(0.06), 51.6°(0.43), 54.4°(0.2), 65.0°(0.17), 78.3°(0.15), 87.5°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-137104 | 7.04 7.04 7.04
29 29 29
Na 0.165 0.165 0.165
Si 0.998 0.998 0.998
S 0.597 0.597 0.597
S 0.399 0.399 0.399 |
Below is a description of a material. | The chemical formula is: BaZrO.
The XRD pattern shows main peaks at: 11.3°(0.07), 22.8°(0.52), 26.1°(1.0), 34.9°(0.69), 37.2°(0.42), 44.0°(0.35), 46.5°(0.08), 51.6°(0.06), 53.6°(0.14), 54.1°(0.2), 59.0°(0.15), 60.5°(0.19), 61.0°(0.14), 65.6°(0.22), 73.6°(0.08), 79.6°(0.13), 83.7°(0.06), 89.6°(0.07).
Generate atomic str... | JVASP-115589 | 3.42 3.42 7.81
90 90 90
Ba 0.000 0.000 0.301
Zr 0.000 0.000 0.760
O 0.000 0.000 -0.006 |
Below is a description of a material. | The chemical formula is: Fe3Pt.
The XRD pattern shows main peaks at: 23.9°(0.42), 34.0°(0.32), 42.0°(1.0), 48.9°(0.48), 55.1°(0.18), 60.9°(0.14), 71.7°(0.28), 76.8°(0.09), 81.8°(0.06), 86.7°(0.36).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-79593 | 3.72 3.72 3.72
90 90 90
Fe 0.000 0.500 0.500
Fe 0.500 0.500 0.000
Fe 0.500 0.000 0.500
Pt 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: HoMnGe.
The XRD pattern shows main peaks at: 24.6°(0.22), 25.4°(0.1), 33.7°(0.1), 34.2°(0.86), 35.7°(1.0), 36.7°(0.35), 40.3°(0.16), 41.0°(0.25), 43.1°(0.12), 44.4°(0.32), 45.2°(0.14), 52.5°(0.09), 53.5°(0.13), 57.3°(0.14), 58.9°(0.17), 61.5°(0.09), 65.2°(0.09), 66.3°(0.17), 71.2°(0.07), 76.1°(... | JVASP-12378 | 4.08 7.01 7.84
90 90 90
Ho 0.250 0.523 0.184
Ho 0.750 0.477 0.816
Ho 0.250 0.023 0.316
Ho 0.750 0.977 0.684
Mn 0.750 0.367 0.444
Mn 0.250 0.133 0.944
Mn 0.750 0.867 0.056
Mn 0.250 0.633 0.556
Ge 0.250 0.274 0.617
Ge 0.750 0.226 0.117
Ge 0.250 0.774 0.883
Ge 0.750 0.726 0.383 |
Below is a description of a material. | The chemical formula is: MoPRh.
The XRD pattern shows main peaks at: 29.4°(0.13), 29.9°(0.18), 37.3°(1.0), 37.8°(0.56), 40.0°(0.48), 41.3°(0.24), 44.8°(0.24), 45.9°(0.44), 47.5°(0.25), 49.4°(0.12), 51.8°(0.06), 52.9°(0.15), 63.4°(0.13), 68.2°(0.16), 69.7°(0.09), 70.9°(0.09), 72.6°(0.11), 76.1°(0.15), 79.2°(0.12), 86.3°... | JVASP-146958 | 3.96 5.96 7.05
90 90 90
Mo 0.250 0.032 0.165
Mo 0.250 0.532 0.335
Mo 0.750 0.968 0.835
Mo 0.750 0.468 0.665
P 0.250 0.746 0.614
P 0.250 0.246 0.886
P 0.750 0.254 0.386
P 0.750 0.754 0.114
Rh 0.250 0.137 0.573
Rh 0.250 0.637 0.927
Rh 0.750 0.863 0.427
Rh 0.750 0.363 0.073 |
Below is a description of a material. | The chemical formula is: BaCO3.
The XRD pattern shows main peaks at: 20.4°(0.21), 21.0°(0.24), 21.6°(0.78), 26.4°(0.3), 26.9°(1.0), 27.9°(0.71), 32.6°(0.3), 33.5°(0.25), 33.9°(0.09), 39.5°(0.46), 43.0°(0.17), 44.1°(0.44), 44.8°(0.45), 45.7°(0.17), 46.2°(0.2), 47.8°(0.15), 53.3°(0.13), 59.6°(0.09), 64.6°(0.08), 67.8°(0.... | JVASP-163778 | 6.70 5.35 4.56
90 106 90
Ba 0.232 0.769 0.886
Ba 0.768 0.269 0.114
C 0.246 0.269 0.491
C 0.754 0.769 0.509
O 0.182 0.058 0.353
O 0.182 0.479 0.353
O 0.363 0.269 0.775
O 0.637 0.769 0.225
O 0.818 0.558 0.647
O 0.818 0.979 0.647 |
Below is a description of a material. | The chemical formula is: ZnWO4.
The XRD pattern shows main peaks at: 13.9°(0.4), 19.6°(0.53), 28.0°(0.5), 28.6°(1.0), 30.8°(0.7), 37.1°(0.15), 37.5°(0.16), 39.5°(0.3), 41.0°(0.09), 42.5°(0.08), 47.1°(0.15), 48.6°(0.08), 51.0°(0.15), 53.7°(0.08), 56.4°(0.11), 57.7°(0.11), 60.5°(0.1), 61.0°(0.09), 64.2°(0.1), 64.7°(0.09)... | JVASP-12125 | 4.82 4.87 7.16
107 107 95
Zn 0.371 0.621 0.241
Zn 0.629 0.379 0.759
W 0.838 0.088 0.177
W 0.162 0.912 0.823
O 0.872 0.594 0.652
O 0.507 0.267 0.090
O 0.720 0.942 0.348
O 0.917 0.177 0.910
O 0.128 0.406 0.348
O 0.280 0.058 0.652
O 0.493 0.733 0.910
O 0.083 0.823 0.090 |
Below is a description of a material. | The chemical formula is: LiCo2CuO6.
The XRD pattern shows main peaks at: 19.1°(1.0), 35.6°(0.16), 37.3°(0.24), 38.5°(0.08), 43.0°(0.18), 45.6°(0.29), 48.8°(0.07), 60.5°(0.08), 64.2°(0.09), 64.9°(0.06), 66.6°(0.09), 68.5°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom typ... | JVASP-45848 | 6.59 2.81 5.62
90 101 77
Li 0.638 0.681 0.137
Co -0.002 0.001 0.001
Co 0.690 0.655 0.649
Cu 0.319 0.341 0.366
O 0.967 0.516 0.203
O 0.392 0.804 0.590
O 0.698 0.151 0.882
O 0.292 0.854 0.132
O 0.685 0.158 0.433
O 0.988 0.506 0.774 |
Below is a description of a material. | The chemical formula is: Cl.
The XRD pattern shows main peaks at: 4.4°(1.0), 6.2°(0.88), 7.7°(0.4), 8.8°(0.22), 9.9°(0.76), 10.8°(0.59), 12.5°(0.22), 13.3°(0.49), 14.0°(0.35), 14.7°(0.31), 16.0°(0.25), 16.6°(0.47), 18.3°(0.37), 18.8°(0.25), 19.3°(0.15), 20.3°(0.25), 22.7°(0.31), 24.0°(0.26), 24.4°(0.17), 25.6°(0.15).
G... | JVASP-7379 | 20.00 20.00 20.00
90 90 90
Cl 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: NbIrS4.
The XRD pattern shows main peaks at: 15.1°(1.0), 17.2°(0.08), 17.8°(0.09), 26.6°(0.05), 30.0°(0.23), 31.8°(0.1), 33.5°(0.11), 34.1°(0.57), 34.7°(0.28), 42.8°(0.24), 43.9°(0.22), 45.7°(0.1), 46.6°(0.06), 52.2°(0.09), 54.7°(0.08), 55.6°(0.18), 57.2°(0.06), 58.6°(0.07), 63.6°(0.05), 64.2°(... | JVASP-93409 | 3.50 6.64 6.84
58 104 121
Nb 0.000 0.000 0.000
Ir 0.000 0.500 -0.000
S 0.657 0.782 0.751
S 0.324 0.695 0.259
S 0.343 0.218 0.249
S 0.676 0.305 0.741 |
Below is a description of a material. | The chemical formula is: Be2TcPd.
The XRD pattern shows main peaks at: 30.4°(0.55), 32.3°(1.0), 44.9°(0.98), 46.4°(0.46), 56.4°(0.4), 63.1°(0.08), 67.7°(0.14), 72.7°(0.18), 75.9°(0.15), 77.0°(0.16), 81.9°(0.16), 85.0°(0.3).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-69791 | 2.77 2.77 5.89
90 90 90
Be 0.000 0.000 0.759
Be 0.000 0.000 0.241
Tc 0.500 0.500 0.500
Pd 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: Be2VGa.
The XRD pattern shows main peaks at: 28.5°(1.0), 43.4°(0.33), 44.0°(0.87), 45.9°(0.19), 53.8°(0.23), 62.0°(0.2), 65.0°(0.09), 71.5°(0.13), 73.4°(0.17), 79.6°(0.07), 83.7°(0.11), 89.3°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-69673 | 4.63 4.63 4.63
136 136 62
Be 0.000 0.000 0.000
Be 0.250 0.750 0.500
V 0.750 0.250 0.500
Ga 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: AlZnCrS4.
The XRD pattern shows main peaks at: 25.1°(0.55), 29.5°(1.0), 35.8°(0.33), 44.1°(0.06), 47.0°(0.44), 51.5°(0.9), 75.8°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-140896 | 7.10 7.10 7.10
120 120 89
Al 0.500 0.000 0.000
Al 0.500 0.500 0.500
Zn 0.876 0.626 0.250
Zn 0.124 0.374 0.750
Cr 0.500 0.000 0.500
Cr 0.000 0.000 0.000
S 0.740 0.760 0.520
S 0.740 0.220 0.980
S 0.741 0.761 0.981
S 0.280 0.761 0.519
S 0.260 0.240 0.480
S 0.260 0.780 0.020
S 0.259 0.239 0.019
S 0.720 0.239 0.481 |
Below is a description of a material. | The chemical formula is: RuOsW2.
The XRD pattern shows main peaks at: 39.7°(1.0), 45.8°(0.34), 47.0°(0.16), 66.8°(0.1), 67.7°(0.21), 80.6°(0.26), 82.3°(0.12), 85.6°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-188407 | 4.78 4.78 4.78
130 130 71
Ru 0.750 0.250 0.500
Os 0.250 0.750 0.500
W -0.000 -0.000 0.000
W 0.500 0.500 -0.000 |
Below is a description of a material. | The chemical formula is: HfPO2.
The XRD pattern shows main peaks at: 15.5°(1.0), 29.2°(0.37), 31.3°(0.27), 33.2°(0.81), 41.8°(0.39), 43.3°(0.27), 44.8°(0.29), 47.7°(0.11), 53.1°(0.26), 56.9°(0.17), 60.6°(0.12), 62.9°(0.1), 65.2°(0.16), 68.6°(0.06), 69.8°(0.1), 70.9°(0.19), 73.0°(0.09), 77.4°(0.1), 80.5°(0.14), 87.9°(0.... | JVASP-179466 | 3.06 3.06 5.72
90 90 90
Hf 0.500 0.500 0.484
P -0.000 -0.000 0.889
O 0.000 -0.000 0.480
O 0.500 0.500 0.157 |
Below is a description of a material. | The chemical formula is: BaYSe4.
The XRD pattern shows main peaks at: 29.4°(0.35), 34.7°(1.0), 36.3°(0.3), 52.2°(0.15), 55.7°(0.32), 61.1°(0.28), 69.3°(0.06), 72.2°(0.12), 73.2°(0.11), 84.5°(0.08), 87.3°(0.22).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-180313 | 6.07 6.07 6.07
60 60 60
Ba 0.750 0.750 0.750
Y 0.000 0.000 0.000
Se 0.878 0.374 0.374
Se 0.374 0.374 0.878
Se 0.374 0.878 0.374
Se 0.374 0.374 0.374 |
Below is a description of a material. | The chemical formula is: Na4BeSi.
The XRD pattern shows main peaks at: 18.6°(0.24), 21.5°(0.08), 30.5°(0.16), 36.0°(1.0), 37.6°(0.51), 43.7°(0.1), 47.9°(0.06), 54.3°(0.06), 57.9°(0.3), 63.6°(0.25), 75.3°(0.09), 76.3°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-65089 | 5.85 5.85 5.85
60 60 60
Na 0.126 0.625 0.625
Na 0.625 0.625 0.625
Na 0.625 0.126 0.625
Na 0.625 0.625 0.126
Be 0.000 0.000 0.000
Si 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: Tb2Ce.
The XRD pattern shows main peaks at: 29.5°(0.31), 30.1°(0.19), 31.9°(0.43), 32.6°(1.0), 34.4°(0.71), 38.7°(0.09), 41.2°(0.16), 51.9°(0.37), 56.2°(0.23), 59.6°(0.15), 62.3°(0.38), 62.6°(0.14), 63.7°(0.13), 80.0°(0.08).
Generate atomic structure description with lattice lengths, angles, co... | JVASP-170101 | 3.52 3.52 8.65
90 101 60
Tb 0.553 0.224 0.329
Tb 0.447 0.776 0.671
Ce 0.000 -0.000 0.000 |
Below is a description of a material. | The chemical formula is: CaCr2O5.
The XRD pattern shows main peaks at: 18.2°(1.0), 24.1°(0.69), 26.0°(0.27), 30.0°(0.83), 30.9°(0.9), 31.9°(0.58), 34.5°(0.87), 36.9°(0.41), 37.8°(0.18), 47.9°(0.39), 50.7°(0.46), 51.3°(0.1), 54.3°(0.08), 56.0°(0.3), 56.9°(0.11), 60.1°(0.17), 62.2°(0.18), 62.7°(0.23), 84.3°(0.15), 88.6°(... | JVASP-10928 | 4.87 3.60 11.29
90 90 90
Ca 0.124 0.500 0.250
Ca 0.876 0.000 0.750
Cr 0.593 0.000 0.096
Cr 0.407 0.500 0.904
Cr 0.407 0.500 0.596
Cr 0.593 0.000 0.404
O 0.558 0.500 0.750
O 0.442 0.000 0.250
O 0.466 0.500 0.075
O 0.534 0.000 0.925
O 0.466 0.500 0.425
O 0.534 0.000 0.575
O 0.932 0.000 0.373
O 0.068 0.500 0.627
O 0.068 0... |
Below is a description of a material. | The chemical formula is: DyTiSi.
The XRD pattern shows main peaks at: 11.7°(0.15), 25.0°(0.82), 31.4°(0.43), 32.5°(1.0), 33.6°(0.72), 35.7°(0.32), 39.6°(0.44), 44.9°(0.43), 48.2°(0.14), 52.1°(0.24), 53.6°(0.13), 56.5°(0.37), 58.7°(0.43), 65.4°(0.14), 66.1°(0.19), 72.5°(0.11), 75.6°(0.13), 76.8°(0.12), 79.3°(0.11), 83.5... | JVASP-17889 | 4.03 4.03 7.54
90 90 90
Dy 0.500 0.000 0.345
Dy 0.000 0.500 0.655
Ti 0.500 0.500 0.000
Ti 0.000 0.000 0.000
Si 0.500 0.000 0.761
Si 0.000 0.500 0.239 |
Below is a description of a material. | The chemical formula is: HfNi2P2.
The XRD pattern shows main peaks at: 14.8°(0.14), 27.6°(0.08), 31.5°(1.0), 41.2°(0.58), 45.6°(0.12), 48.9°(0.38), 54.2°(0.09), 59.3°(0.16), 65.8°(0.14), 69.1°(0.18), 80.3°(0.13), 86.1°(0.14), 87.1°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates a... | JVASP-189475 | 3.73 3.73 5.97
90 90 120
Ni 0.667 0.333 0.357
Ni 0.333 0.667 0.643
Hf -0.000 -0.000 0.000
P 0.333 0.667 0.262
P 0.667 0.333 0.738 |
Below is a description of a material. | The chemical formula is: NbZnRuOs.
The XRD pattern shows main peaks at: 24.8°(0.08), 28.7°(0.09), 41.0°(1.0), 59.4°(0.15), 74.7°(0.31), 88.9°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-187403 | 4.40 4.40 4.40
60 60 60
Ru 0.750 0.750 0.750
Nb 0.500 0.500 0.500
Os 0.250 0.250 0.250
Zn 0.000 -0.000 0.000 |
Below is a description of a material. | The chemical formula is: TmB2.
The XRD pattern shows main peaks at: 23.6°(0.44), 31.7°(0.7), 39.9°(1.0), 48.2°(0.11), 56.5°(0.18), 58.9°(0.26), 62.1°(0.22), 66.3°(0.09), 71.4°(0.17), 77.4°(0.15), 84.2°(0.1), 86.1°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-19836 | 3.26 3.26 3.78
90 90 120
Tm 0.000 0.000 0.000
B 0.333 0.667 0.500
B 0.667 0.333 0.500 |
Below is a description of a material. | The chemical formula is: Ac3Ho.
The XRD pattern shows main peaks at: 27.5°(0.48), 28.7°(0.33), 30.2°(1.0), 34.3°(0.27), 39.4°(0.06), 45.3°(0.13), 46.8°(0.26), 55.1°(0.08), 55.8°(0.32), 56.7°(0.17), 59.3°(0.06), 75.1°(0.06), 76.4°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-124939 | 3.89 3.89 12.44
90 90 120
Ac 0.667 0.333 0.237
Ac 0.000 0.000 0.500
Ac 0.333 0.667 0.763
Ho 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: ZnOsN2.
The XRD pattern shows main peaks at: 20.8°(0.36), 21.7°(0.15), 31.2°(0.3), 32.0°(0.15), 33.7°(0.39), 35.6°(0.22), 36.3°(1.0), 40.0°(0.13), 45.7°(0.07), 46.6°(0.19), 47.2°(0.07), 56.1°(0.14), 57.5°(0.07), 58.9°(0.1), 62.0°(0.25), 62.7°(0.06), 67.0°(0.15), 67.8°(0.1), 68.3°(0.07), 77.0°(0... | JVASP-121655 | 5.73 6.41 5.31
90 90 90
Zn 0.560 0.885 0.012
Zn 0.440 0.115 0.512
Zn 0.940 0.385 0.512
Zn 0.060 0.615 0.012
Os 0.551 0.400 0.990
Os 0.449 0.600 0.490
Os 0.949 0.900 0.490
Os 0.051 0.100 0.990
N 0.616 0.360 0.354
N 0.384 0.640 0.854
N 0.884 0.860 0.854
N 0.116 0.140 0.354
N 0.618 0.852 0.393
N 0.382 0.148 0.893
N 0.882 ... |
Below is a description of a material. | The chemical formula is: KBiF6.
The XRD pattern shows main peaks at: 16.3°(0.87), 18.4°(0.31), 23.1°(0.78), 24.6°(1.0), 29.7°(0.31), 32.9°(0.1), 36.9°(0.16), 37.9°(0.13), 40.9°(0.1), 41.5°(0.65), 44.3°(0.24), 47.2°(0.18), 50.5°(0.18), 53.4°(0.18), 54.0°(0.16), 56.7°(0.12), 61.6°(0.1), 64.6°(0.12), 66.7°(0.17), 74.5°(0.... | JVASP-34723 | 5.45 5.45 9.66
90 90 90
K 0.500 0.500 0.500
K 0.500 0.500 0.000
Bi 0.000 0.000 0.750
Bi 0.000 0.000 0.250
F 0.732 0.732 0.250
F 0.191 0.191 0.602
F 0.191 0.191 0.898
F 0.809 0.191 0.398
F 0.268 0.732 0.750
F 0.809 0.809 0.898
F 0.191 0.809 0.398
F 0.191 0.809 0.102
F 0.268 0.268 0.250
F 0.809 0.809 0.602
F 0.732 0.268 ... |
Below is a description of a material. | The chemical formula is: Ti2InAu.
The XRD pattern shows main peaks at: 10.9°(0.22), 21.9°(0.31), 30.0°(0.29), 32.0°(0.05), 37.4°(1.0), 42.9°(0.36), 44.6°(0.15), 48.7°(0.16), 54.7°(0.12), 62.3°(0.11), 63.7°(0.22), 66.9°(0.06), 70.7°(0.05), 75.0°(0.26), 79.9°(0.12), 87.6°(0.07).
Generate atomic structure description with... | JVASP-192019 | 2.98 2.98 8.12
90 90 90
Ti -0.000 -0.000 0.764
Ti 0.000 0.000 0.236
Au 0.500 0.500 0.000
In 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: MnCuRh2.
The XRD pattern shows main peaks at: 11.3°(1.0), 12.7°(0.4), 18.7°(0.17), 21.2°(0.22), 22.6°(0.2), 25.5°(0.08), 28.9°(0.12), 31.8°(0.09), 33.4°(0.08), 34.2°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-77067 | 8.93 9.55 9.55
59 62 62
Mn 0.000 0.000 0.000
Cu 0.500 -0.000 0.000
Rh 0.773 -0.000 0.000
Rh 0.227 -0.000 -0.000 |
Below is a description of a material. | The chemical formula is: Ba2AlIn3.
The XRD pattern shows main peaks at: 14.8°(0.07), 29.0°(1.0), 29.5°(0.18), 33.3°(0.24), 34.4°(0.33), 36.0°(0.38), 45.9°(0.1), 47.2°(0.07), 47.9°(0.06), 48.6°(0.15), 54.8°(0.05), 56.6°(0.11), 57.1°(0.09), 58.4°(0.07), 61.4°(0.07), 62.6°(0.07), 66.3°(0.06).
Generate atomic structure des... | JVASP-108160 | 6.54 6.54 8.53
49 49 46
Ba 0.747 0.747 0.803
Ba 0.250 0.250 0.197
Al 0.571 0.571 0.591
In 0.440 0.440 0.409
In 0.067 0.067 0.763
In 0.925 0.925 0.236 |
Below is a description of a material. | The chemical formula is: Be2ZnRe.
The XRD pattern shows main peaks at: 16.6°(0.49), 29.9°(1.0), 33.5°(0.36), 34.4°(0.27), 42.7°(0.45), 45.5°(0.79), 46.1°(0.13), 55.4°(0.39), 60.5°(0.08), 62.0°(0.15), 64.7°(0.06), 70.4°(0.2), 72.4°(0.17), 72.9°(0.07), 78.4°(0.14), 80.2°(0.28), 86.1°(0.12).
Generate atomic structure desc... | JVASP-67173 | 2.99 2.99 5.34
90 90 90
Be 0.000 0.000 0.793
Be 0.000 0.000 0.207
Zn 0.500 0.500 0.500
Re 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: SrGaAs.
The XRD pattern shows main peaks at: 25.0°(0.1), 32.3°(1.0), 35.2°(0.9), 43.6°(0.13), 48.5°(0.31), 51.3°(0.1), 61.3°(0.31), 63.1°(0.17), 63.7°(0.33), 74.3°(0.1), 83.3°(0.13), 84.4°(0.07), 85.5°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and at... | JVASP-179702 | 5.10 5.10 3.56
90 90 120
Sr 0.667 0.333 0.500
Ga 0.333 0.667 0.500
As 0.000 -0.000 0.000 |
Below is a description of a material. | The chemical formula is: CeSm2S4.
The XRD pattern shows main peaks at: 25.7°(1.0), 29.8°(0.07), 33.4°(0.85), 39.7°(0.53), 47.9°(0.33), 50.4°(0.24), 68.2°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-52149 | 7.35 7.35 7.35
109 109 109
Ce 0.625 0.375 0.250
Ce 0.875 0.125 0.750
Sm 0.134 0.750 0.884
Sm 0.250 0.634 0.384
Sm 0.366 0.250 0.616
Sm 0.750 0.866 0.116
S 0.002 0.853 0.501
S 0.001 0.352 0.499
S 0.499 0.998 0.351
S 0.147 0.148 0.149
S 0.353 0.502 0.001
S 0.648 0.647 0.649
S 0.498 0.999 0.851
S 0.852 0.501 0.999 |
Below is a description of a material. | The chemical formula is: Mg5Zn.
The XRD pattern shows main peaks at: 6.0°(1.0), 12.0°(0.21), 18.1°(0.08), 32.5°(0.29), 33.1°(0.1), 34.8°(0.05), 37.4°(0.9), 40.9°(0.12), 45.1°(0.06), 58.0°(0.18), 71.1°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-94394 | 3.18 3.18 14.72
90 90 120
Mg 0.000 0.000 0.852
Mg 0.667 0.333 0.676
Mg 0.000 0.000 0.500
Mg 0.667 0.333 0.324
Mg 0.000 0.000 0.148
Zn 0.667 0.333 0.000 |
Below is a description of a material. | The chemical formula is: BeNiSb.
The XRD pattern shows main peaks at: 27.1°(0.43), 37.1°(1.0), 47.9°(0.32), 51.0°(0.09), 56.0°(0.05), 58.8°(0.09), 62.2°(0.22), 72.6°(0.19), 82.1°(0.19), 86.9°(0.09), 89.5°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-70547 | 3.79 3.79 3.58
90 90 119
Be 0.000 0.000 0.167
Ni 0.667 0.333 0.167
Sb 0.333 0.667 0.667 |
Below is a description of a material. | The chemical formula is: Ba4ZnW.
The XRD pattern shows main peaks at: 16.0°(0.11), 26.2°(0.23), 30.9°(1.0), 32.3°(0.43), 37.4°(0.05), 46.3°(0.11), 49.3°(0.37), 54.0°(0.32), 63.5°(0.13), 64.3°(0.17), 73.8°(0.05), 76.1°(0.23), 79.9°(0.05), 88.1°(0.07).
Generate atomic structure description with lattice lengths, angles, c... | JVASP-66066 | 6.79 6.79 6.79
60 60 60
Ba 0.127 0.624 0.624
Ba 0.624 0.624 0.624
Ba 0.624 0.127 0.624
Ba 0.624 0.624 0.127
Zn 0.000 0.000 0.000
W 0.250 0.250 0.250 |
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