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: NaCdCl3.
The XRD pattern shows main peaks at: 17.1°(1.0), 24.3°(0.56), 34.7°(0.62), 38.9°(0.5), 42.8°(0.27), 49.8°(0.41), 53.1°(0.24), 56.2°(0.12), 62.1°(0.14), 65.0°(0.1), 67.7°(0.12), 73.1°(0.06), 75.8°(0.13), 78.4°(0.06), 83.5°(0.17), 86.1°(0.1).
Generate atomic structure description with la... | JVASP-136292 | 5.18 5.18 5.18
90 90 90
Na 0.000 0.000 0.000
Cd 0.500 0.500 0.500
Cl 0.000 0.500 0.500
Cl 0.500 0.000 0.500
Cl 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: TlMo3Se3.
The XRD pattern shows main peaks at: 11.3°(0.41), 19.6°(0.24), 22.7°(0.47), 27.9°(0.12), 30.1°(0.75), 34.2°(0.19), 36.2°(1.0), 39.9°(0.42), 41.4°(0.2), 44.7°(0.38), 46.3°(0.22), 50.8°(0.18), 53.6°(0.12), 54.9°(0.31), 58.9°(0.16), 62.6°(0.06), 70.1°(0.13), 83.7°(0.11).
Generate atomic ... | JVASP-20878 | 9.07 9.07 4.52
90 90 120
Tl 0.333 0.667 0.750
Tl 0.667 0.333 0.250
Mo 0.968 0.817 0.250
Mo 0.817 0.849 0.750
Mo 0.032 0.183 0.750
Mo 0.183 0.151 0.250
Mo 0.849 0.032 0.250
Mo 0.151 0.968 0.750
Se 0.935 0.635 0.750
Se 0.299 0.935 0.250
Se 0.701 0.065 0.750
Se 0.065 0.365 0.250
Se 0.635 0.701 0.250
Se 0.365 0.299 0.750 |
Below is a description of a material. | The chemical formula is: Er3Os.
The XRD pattern shows main peaks at: 9.0°(0.22), 27.3°(0.07), 29.4°(0.09), 30.9°(0.35), 34.8°(1.0), 36.7°(0.1), 40.6°(0.12), 47.7°(0.25), 52.2°(0.28), 61.9°(0.05), 64.3°(0.17), 65.5°(0.11), 72.4°(0.06), 73.4°(0.07), 87.3°(0.14).
Generate atomic structure description with lattice lengths,... | JVASP-123228 | 3.50 3.50 9.79
90 90 120
Er 0.333 0.667 0.197
Er 0.000 0.000 0.500
Er 0.667 0.333 0.803
Os 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: YSiRh.
The XRD pattern shows main peaks at: 17.5°(0.13), 27.4°(0.46), 33.4°(0.25), 34.6°(0.92), 35.6°(1.0), 38.6°(0.2), 41.0°(0.44), 41.5°(0.13), 42.3°(0.52), 42.5°(0.5), 45.0°(0.09), 56.5°(0.14), 59.0°(0.26), 60.6°(0.24), 64.1°(0.09), 68.5°(0.35), 72.7°(0.1), 73.3°(0.1), 77.6°(0.09), 80.0°(0.1... | JVASP-23327 | 4.25 6.91 7.43
90 90 90
Y 0.750 0.500 0.310
Y 0.250 -0.000 0.810
Y 0.750 0.000 0.190
Y 0.250 0.500 0.690
Si 0.250 0.296 0.103
Si 0.250 0.796 0.397
Si 0.750 0.704 0.897
Si 0.750 0.204 0.603
Rh 0.250 0.656 0.071
Rh 0.250 0.156 0.429
Rh 0.750 0.844 0.571
Rh 0.750 0.344 0.929 |
Below is a description of a material. | The chemical formula is: MgFeH3.
The XRD pattern shows main peaks at: 27.2°(0.22), 38.8°(1.0), 56.0°(0.18), 63.3°(0.07), 70.2°(0.32), 83.2°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-118356 | 3.28 3.28 3.28
90 90 90
Mg 0.000 0.000 0.000
Fe 0.500 0.500 0.500
H 0.500 0.500 0.000
H 0.500 0.000 0.500
H 0.000 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Rb2LiBiF6.
The XRD pattern shows main peaks at: 17.6°(0.61), 29.0°(1.0), 34.1°(0.41), 41.5°(0.38), 45.4°(0.08), 51.4°(0.42), 60.1°(0.25), 83.0°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-99724 | 6.16 6.16 6.16
60 60 60
Rb 0.250 0.250 0.250
Rb 0.750 0.750 0.750
Li 0.500 0.500 0.500
Bi 0.000 0.000 0.000
F 0.261 0.261 0.739
F 0.261 0.739 0.739
F 0.739 0.739 0.261
F 0.261 0.739 0.261
F 0.739 0.261 0.739
F 0.739 0.261 0.261 |
Below is a description of a material. | The chemical formula is: Mn2V3NiO8.
The XRD pattern shows main peaks at: 18.3°(0.16), 29.6°(0.2), 30.2°(0.34), 34.8°(0.49), 35.3°(1.0), 37.1°(0.09), 42.8°(0.37), 56.2°(0.11), 56.7°(0.26), 61.5°(0.4), 62.8°(0.4).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-141433 | 6.03 6.03 6.03
58 58 58
Mn 0.124 0.124 0.124
Mn 0.876 0.876 0.876
V 0.500 0.000 0.500
V 0.000 0.500 0.500
V 0.500 0.500 0.000
Ni 0.500 0.500 0.500
O 0.740 0.740 0.740
O 0.745 0.282 0.745
O 0.282 0.745 0.745
O 0.745 0.745 0.282
O 0.260 0.260 0.260
O 0.255 0.718 0.255
O 0.718 0.255 0.255
O 0.255 0.255 0.718 |
Below is a description of a material. | The chemical formula is: TlGaF3.
The XRD pattern shows main peaks at: 20.7°(0.2), 29.4°(1.0), 36.3°(0.19), 42.1°(0.34), 47.4°(0.1), 52.2°(0.44), 61.1°(0.2), 65.2°(0.06), 69.2°(0.19), 73.1°(0.07), 77.0°(0.06), 84.4°(0.2).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-134730 | 4.29 4.29 4.29
90 90 90
Tl 0.000 0.000 0.000
Ga 0.500 0.500 0.500
F 0.500 0.500 0.000
F 0.500 0.000 0.500
F 0.000 0.500 0.500 |
Below is a description of a material. | The chemical formula is: V2ReTc.
The XRD pattern shows main peaks at: 25.5°(0.11), 29.5°(0.3), 42.2°(1.0), 49.9°(0.06), 52.3°(0.09), 61.2°(0.16), 69.3°(0.11), 77.1°(0.34).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-79113 | 4.29 4.29 4.29
60 60 60
V 0.000 0.000 0.000
V 0.500 0.500 0.500
Re 0.250 0.250 0.250
Tc 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: Rb2GaAuI6.
The XRD pattern shows main peaks at: 15.3°(0.48), 21.7°(0.09), 26.6°(0.56), 30.9°(1.0), 34.6°(0.26), 44.2°(0.78), 47.0°(0.06), 52.4°(0.22), 54.9°(0.27), 64.3°(0.13), 73.0°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-102407 | 8.19 8.19 8.19
60 60 60
Rb 0.750 0.750 0.750
Rb 0.250 0.250 0.250
Ga 0.000 0.000 0.000
Au 0.500 0.500 0.500
I 0.751 0.249 0.249
I 0.249 0.249 0.751
I 0.249 0.751 0.751
I 0.249 0.751 0.249
I 0.751 0.249 0.751
I 0.751 0.751 0.249 |
Below is a description of a material. | The chemical formula is: TiSe.
The XRD pattern shows main peaks at: 16.3°(0.23), 27.0°(1.0), 30.3°(0.05), 34.6°(0.23), 43.4°(0.31), 45.4°(0.56), 46.7°(0.05), 51.9°(0.32), 55.4°(0.11), 63.1°(0.11), 69.9°(0.06), 72.9°(0.1), 81.2°(0.18), 85.4°(0.08), 86.0°(0.07).
Generate atomic structure description with lattice lengths,... | JVASP-17184 | 4.17 4.17 5.43
90 90 90
Ti 0.000 0.000 0.000
Ti 0.500 0.500 0.000
Se 0.000 0.500 0.266
Se 0.500 0.000 0.734 |
Below is a description of a material. | The chemical formula is: CoCu2SiS4.
The XRD pattern shows main peaks at: 29.7°(1.0), 49.4°(0.43), 58.5°(0.12), 58.8°(0.23), 72.7°(0.06), 80.1°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-92980 | 5.20 5.20 6.41
113 113 90
Co 0.000 0.000 0.000
Cu 0.750 0.250 0.500
Cu 0.250 0.750 0.500
Si 0.500 0.500 0.000
S 0.861 0.861 0.239
S 0.378 0.378 0.239
S 0.139 0.622 0.761
S 0.622 0.139 0.761 |
Below is a description of a material. | The chemical formula is: PuTa.
The XRD pattern shows main peaks at: 36.5°(1.0), 52.6°(0.18), 65.7°(0.36), 77.6°(0.12), 89.0°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-128278 | 3.48 3.48 3.48
90 90 90
Pu 0.500 0.500 0.500
Ta 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Mn2SiRu.
The XRD pattern shows main peaks at: 26.6°(0.12), 30.9°(0.12), 44.2°(1.0), 52.4°(0.06), 64.3°(0.15), 81.3°(0.28).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-37194 | 4.10 4.10 4.10
60 60 60
Mn 0.000 0.000 0.000
Mn 0.750 0.750 0.750
Si 0.250 0.250 0.250
Ru 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Tb3Ge5.
The XRD pattern shows main peaks at: 25.7°(0.21), 33.6°(1.0), 43.4°(0.13), 45.3°(0.28), 51.1°(0.06), 52.8°(0.05), 57.5°(0.14), 64.5°(0.19), 76.1°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-146341 | 6.94 6.94 8.35
90 90 120
Tb 0.332 -0.000 0.500
Tb 0.668 0.668 0.500
Tb -0.000 0.332 0.500
Tb -0.000 0.332 0.000
Tb 0.668 0.668 0.000
Tb 0.332 -0.000 0.000
Ge 0.000 0.000 0.750
Ge 0.669 0.072 0.750
Ge 0.403 0.331 0.750
Ge 0.928 0.597 0.750
Ge 0.333 0.667 0.750
Ge 0.000 0.000 0.250
Ge 0.667 0.333 0.250
Ge 0.331 0.403 0.2... |
Below is a description of a material. | The chemical formula is: HoTmAl2.
The XRD pattern shows main peaks at: 25.0°(0.71), 35.6°(1.0), 44.0°(0.2), 51.3°(0.2), 57.9°(0.29), 64.0°(0.39), 75.5°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-101402 | 5.04 5.04 5.04
60 60 60
Ho 0.500 0.500 0.500
Tm 0.000 0.000 0.000
Al 0.250 0.250 0.250
Al 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: ScBrO.
The XRD pattern shows main peaks at: 28.7°(1.0), 33.4°(0.32), 33.8°(0.56), 41.0°(0.65), 44.9°(0.59), 54.2°(0.48), 59.4°(0.19), 60.2°(0.06), 67.2°(0.17), 70.1°(0.24), 71.1°(0.05), 77.4°(0.23), 78.4°(0.11), 85.5°(0.13), 88.9°(0.06).
Generate atomic structure description with lattice length... | JVASP-134287 | 3.11 3.11 5.30
90 90 90
Sc 0.500 0.500 0.000
Br 0.500 0.500 0.500
O 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: HoSi2Pd2.
The XRD pattern shows main peaks at: 23.2°(0.28), 34.6°(0.28), 35.5°(1.0), 36.1°(0.16), 43.5°(0.34), 50.9°(0.11), 57.8°(0.17), 63.3°(0.11), 64.6°(0.14), 74.7°(0.23).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-15325 | 4.16 4.16 5.78
111 111 90
Ho 0.000 0.000 0.000
Si 0.617 0.617 0.233
Si 0.383 0.383 0.767
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: Ba2HgBi.
The XRD pattern shows main peaks at: 29.8°(1.0), 42.6°(0.17), 52.9°(0.27), 61.8°(0.05), 70.2°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-91188 | 14.69 10.38 10.38
33 19 19
Ba 0.749 0.000 0.000
Ba 0.251 -0.000 -0.000
Hg 0.000 -0.000 -0.000
Bi 0.500 0.000 0.000 |
Below is a description of a material. | The chemical formula is: VF5.
The XRD pattern shows main peaks at: 20.5°(1.0), 24.1°(0.45), 24.5°(0.8), 29.1°(0.22), 29.4°(0.23), 38.0°(0.08), 38.7°(0.14), 39.8°(0.33), 41.1°(0.08), 44.8°(0.08), 45.5°(0.08), 46.8°(0.19), 47.2°(0.19), 48.3°(0.06), 49.3°(0.17), 60.2°(0.07), 61.0°(0.06).
Generate atomic structure descript... | JVASP-47262 | 4.85 4.85 8.12
112 95 102
V 0.039 -0.002 0.042
V 0.542 0.000 0.542
F 0.215 0.327 0.010
F 0.180 0.783 0.859
F 0.416 0.332 0.624
F 0.711 0.982 0.732
F 0.183 0.787 0.507
F 0.818 0.224 0.482
F 0.246 0.022 0.234
F 0.579 0.680 0.357
F 0.782 0.199 0.121
F 0.760 0.658 -0.019 |
Below is a description of a material. | The chemical formula is: Li2TlIn.
The XRD pattern shows main peaks at: 10.3°(1.0), 12.1°(0.35), 15.3°(0.18), 16.7°(0.16), 18.4°(0.44), 19.5°(0.19), 20.1°(0.21), 20.6°(0.19), 22.7°(0.14), 24.4°(0.07), 25.3°(0.23), 25.8°(0.33), 28.9°(0.08), 29.7°(0.08), 30.1°(0.13), 31.2°(0.08), 31.8°(0.07).
Generate atomic structure des... | JVASP-80766 | 11.60 10.74 10.74
59 57 57
Li 0.751 0.000 0.000
Li 0.249 1.000 1.000
Tl 0.500 0.000 0.000
In -0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Na2Cl.
The XRD pattern shows main peaks at: 13.3°(0.88), 28.9°(0.27), 32.6°(0.76), 37.0°(1.0), 37.4°(0.7), 40.8°(0.06), 42.7°(0.28), 52.5°(0.13), 55.4°(0.1), 61.7°(0.2), 63.2°(0.18), 66.0°(0.22), 70.0°(0.11), 77.3°(0.06), 79.6°(0.06), 88.7°(0.06).
Generate atomic structure description with latt... | JVASP-93851 | 3.50 7.70 7.70
53 76 76
Na 0.627 0.873 0.373
Na 0.373 0.627 0.127
Na 0.373 0.127 0.627
Na 0.627 0.373 0.873
Cl 0.000 0.750 0.750
Cl -0.000 0.250 0.250 |
Below is a description of a material. | The chemical formula is: Mn2O3F.
The XRD pattern shows main peaks at: 27.4°(0.98), 29.0°(0.98), 36.8°(1.0), 40.3°(0.16), 41.6°(0.19), 42.7°(0.15), 54.9°(0.49), 56.6°(0.74), 60.0°(0.16), 64.0°(0.17), 64.8°(0.09), 67.2°(0.08), 71.0°(0.48), 71.7°(0.11).
Generate atomic structure description with lattice lengths, angles, c... | JVASP-119000 | 5.34 5.34 5.34
114 109 104
Mn 0.469 0.719 0.750
Mn 0.531 0.281 0.250
Mn -0.000 0.000 0.500
Mn -0.000 0.500 0.000
O 0.189 0.439 0.750
O 0.693 -0.000 0.193
O 0.693 0.500 0.693
O 0.307 0.500 0.307
O 0.307 0.000 0.807
O 0.811 0.561 0.250
F 0.218 0.968 0.250
F 0.782 0.032 0.750 |
Below is a description of a material. | The chemical formula is: TbO2.
The XRD pattern shows main peaks at: 28.3°(1.0), 32.8°(0.32), 47.1°(0.56), 55.9°(0.48), 58.6°(0.09), 68.8°(0.08), 76.0°(0.18), 78.4°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-14559 | 3.86 3.86 3.86
60 60 60
Tb 0.000 0.000 0.000
O 0.250 0.250 0.250
O 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: O.
The XRD pattern shows main peaks at: 27.1°(1.0), 38.2°(0.48), 39.0°(0.13), 45.9°(0.65), 54.1°(0.18), 55.8°(0.48), 61.3°(0.16), 75.1°(0.28), 83.9°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-135757 | 3.30 1.98 3.30
90 88 90
O -0.429 0.000 -0.429
O -0.346 0.000 0.175
O 0.175 0.000 -0.346 |
Below is a description of a material. | The chemical formula is: NiSe2.
The XRD pattern shows main peaks at: 23.3°(0.15), 28.4°(0.15), 29.7°(0.12), 30.3°(0.67), 33.8°(1.0), 35.0°(0.87), 36.4°(0.09), 39.4°(0.09), 43.0°(0.17), 46.8°(0.91), 49.1°(0.13), 49.5°(0.36), 52.0°(0.4), 54.1°(0.14), 55.4°(0.22), 58.1°(0.18), 62.0°(0.32), 73.8°(0.16), 79.7°(0.17), 84.9°(... | JVASP-173451 | 3.68 4.94 6.01
90 90 90
Ni 0.500 0.500 0.500
Ni 0.000 0.000 -0.000
Se 0.500 0.293 0.875
Se 0.500 0.707 0.125
Se -0.000 0.207 0.375
Se 0.000 0.793 0.625 |
Below is a description of a material. | The chemical formula is: BaTaBr2.
The XRD pattern shows main peaks at: 10.2°(0.26), 20.5°(0.18), 26.7°(0.16), 30.9°(0.11), 32.2°(1.0), 35.1°(0.52), 36.6°(0.05), 40.9°(0.12), 47.4°(0.13), 48.9°(0.15), 50.4°(0.18), 55.5°(0.07), 59.0°(0.13), 60.3°(0.06), 61.1°(0.31), 72.9°(0.1), 74.1°(0.06), 81.3°(0.11), 83.1°(0.07), 84.7... | JVASP-179549 | 3.62 3.62 8.68
90 90 90
Ba 0.500 0.500 0.622
Ta -0.000 0.000 0.937
Br 0.000 -0.000 0.388
Br 0.500 0.500 0.063 |
Below is a description of a material. | The chemical formula is: BaMgH2.
The XRD pattern shows main peaks at: 18.8°(1.0), 24.9°(0.57), 26.7°(0.91), 31.3°(0.54), 36.8°(0.89), 38.1°(0.38), 42.8°(0.24), 46.0°(0.44), 50.1°(0.32), 54.9°(0.24), 58.5°(0.26), 61.2°(0.19), 62.1°(0.18), 65.4°(0.16), 67.9°(0.26), 68.7°(0.13), 77.5°(0.09), 78.3°(0.09), 84.4°(0.15), 86.7... | JVASP-137944 | 4.73 4.73 3.58
90 90 90
Ba 0.500 0.500 0.500
Mg 0.000 0.000 0.500
H 0.500 0.000 0.000
H 0.000 0.500 0.000 |
Below is a description of a material. | The chemical formula is: LaSi.
The XRD pattern shows main peaks at: 21.0°(0.23), 25.7°(0.29), 26.6°(0.32), 28.7°(1.0), 30.7°(0.72), 31.4°(0.82), 34.2°(0.39), 35.1°(0.48), 38.8°(0.37), 45.2°(0.29), 48.6°(0.19), 49.7°(0.29), 55.4°(0.17), 56.0°(0.35), 58.4°(0.22), 61.3°(0.18), 63.7°(0.11), 67.5°(0.16), 70.1°(0.12), 81.5°(... | JVASP-149768 | 4.01 6.05 8.47
90 90 90
La 0.750 0.887 0.180
La 0.250 0.387 0.320
La 0.250 0.113 0.820
La 0.750 0.613 0.680
Si 0.750 0.381 0.034
Si 0.250 0.881 0.466
Si 0.250 0.619 0.966
Si 0.750 0.119 0.534 |
Below is a description of a material. | The chemical formula is: LiTaO3.
The XRD pattern shows main peaks at: 23.7°(1.0), 32.6°(0.4), 34.8°(0.29), 38.9°(0.05), 42.5°(0.18), 48.4°(0.18), 53.1°(0.26), 56.0°(0.19), 56.9°(0.09), 61.0°(0.16), 62.3°(0.1), 68.4°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-9426 | 5.51 5.51 5.51
55 55 55
Li 0.281 0.281 0.281
Li 0.781 0.781 0.781
Ta 0.999 0.999 0.999
Ta 0.499 0.499 0.499
O 0.613 0.226 0.869
O 0.726 0.113 0.369
O 0.113 0.369 0.726
O 0.369 0.726 0.113
O 0.869 0.613 0.226
O 0.226 0.869 0.613 |
Below is a description of a material. | The chemical formula is: LiAu2.
The XRD pattern shows main peaks at: 13.0°(0.77), 26.1°(0.58), 31.6°(0.45), 32.8°(0.71), 35.4°(0.15), 36.8°(1.0), 39.6°(0.34), 42.4°(0.34), 46.2°(0.32), 50.1°(0.83), 52.4°(0.31), 57.0°(0.18), 64.4°(0.1), 67.3°(0.24), 68.8°(0.15), 74.2°(0.12), 78.3°(0.14), 80.2°(0.1), 80.6°(0.21), 82.4°(0... | JVASP-116256 | 8.08 2.73 2.89
90 57 90
Li 0.082 0.000 0.074
Au -0.230 0.000 0.042
Au 0.394 0.000 0.107 |
Below is a description of a material. | The chemical formula is: USiSe.
The XRD pattern shows main peaks at: 10.6°(0.14), 21.2°(0.69), 23.5°(0.81), 28.0°(0.35), 32.1°(0.13), 32.5°(0.88), 34.3°(0.23), 35.4°(0.71), 39.2°(1.0), 44.4°(0.49), 46.7°(0.53), 51.8°(0.28), 52.9°(0.2), 59.9°(0.35), 65.9°(0.14), 66.4°(0.32), 68.2°(0.17), 77.6°(0.18), 81.5°(0.24), 84.6°(... | JVASP-35362 | 3.89 3.89 8.82
102 102 90
U 0.131 0.131 0.263
U 0.869 0.869 0.737
Si 0.000 0.500 0.000
Si 0.500 0.000 0.000
Se 0.315 0.315 0.629
Se 0.685 0.685 0.371 |
Below is a description of a material. | The chemical formula is: TaZnCo.
The XRD pattern shows main peaks at: 24.4°(0.4), 41.4°(1.0), 43.0°(0.74), 50.1°(0.06), 61.2°(0.32), 68.9°(0.06), 77.7°(0.31), 78.8°(0.12), 84.8°(0.2).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-179295 | 4.21 4.21 2.72
90 90 120
Ta -0.000 -0.000 0.000
Zn 0.667 0.333 0.500
Co 0.333 0.667 0.500 |
Below is a description of a material. | The chemical formula is: Mo.
The XRD pattern shows main peaks at: 40.4°(1.0), 58.4°(0.17), 73.4°(0.35), 87.3°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-193969 | 2.74 2.74 2.74
109 109 109
Mo -0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: CuOsRh6.
The XRD pattern shows main peaks at: 11.6°(0.1), 26.1°(0.06), 41.0°(1.0), 47.7°(0.48), 69.7°(0.32), 84.1°(0.23), 88.8°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-188823 | 3.82 3.82 7.63
90 90 90
Cu -0.000 0.000 0.000
Os -0.000 0.000 0.500
Rh 0.500 0.500 0.000
Rh 0.500 0.500 0.500
Rh 0.500 -0.000 0.252
Rh 0.500 0.000 0.748
Rh -0.000 0.500 0.252
Rh 0.000 0.500 0.748 |
Below is a description of a material. | The chemical formula is: KPb.
The XRD pattern shows main peaks at: 18.6°(0.49), 30.6°(1.0), 36.1°(0.31), 43.9°(0.19), 54.5°(0.39), 63.8°(0.13), 88.7°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-180116 | 5.84 5.84 5.84
60 60 60
K 0.125 0.125 0.125
K 0.875 0.875 0.875
Pb 0.375 0.375 0.375
Pb 0.625 0.625 0.625 |
Below is a description of a material. | The chemical formula is: BiSeI.
The XRD pattern shows main peaks at: 13.9°(1.0), 18.6°(0.95), 23.3°(0.62), 28.1°(0.51), 31.5°(0.44), 33.9°(0.59), 36.9°(0.52), 37.8°(0.16), 40.2°(0.17), 42.7°(0.11), 44.6°(0.25), 47.0°(0.16), 47.7°(0.22), 50.0°(0.25), 55.6°(0.15), 56.3°(0.13), 60.1°(0.14), 63.5°(0.14), 65.8°(0.16), 67.6°... | JVASP-136010 | 6.35 6.35 4.76
90 90 90
Bi -0.045 -0.059 0.000
Se 0.051 0.373 0.000
I 0.394 -0.010 0.000 |
Below is a description of a material. | The chemical formula is: BaNiSb2.
The XRD pattern shows main peaks at: 11.6°(0.11), 23.2°(0.08), 26.4°(0.35), 33.4°(1.0), 33.7°(0.82), 35.2°(0.19), 41.4°(0.07), 48.4°(0.28), 49.5°(0.28), 53.8°(0.06), 56.0°(0.09), 59.5°(0.08), 60.1°(0.36), 61.3°(0.13), 65.9°(0.12), 70.2°(0.05), 70.9°(0.09), 80.8°(0.15), 81.7°(0.06), 85.... | JVASP-182509 | 3.76 3.76 7.65
90 90 90
Ba 0.500 0.500 0.631
Ni 0.000 0.000 0.987
Sb 0.000 0.000 0.324
Sb 0.500 0.500 0.068 |
Below is a description of a material. | The chemical formula is: NdIn.
The XRD pattern shows main peaks at: 32.1°(1.0), 35.2°(0.37), 41.1°(0.12), 50.6°(0.14), 55.1°(0.2), 61.2°(0.3), 67.1°(0.12), 69.2°(0.1), 83.3°(0.06), 85.0°(0.06), 88.6°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-129516 | 3.61 3.61 4.40
90 90 90
Nd 0.500 0.500 0.500
In 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: TaPbF7.
The XRD pattern shows main peaks at: 21.6°(0.11), 24.2°(0.59), 24.8°(0.95), 26.2°(1.0), 29.0°(0.22), 36.0°(0.14), 36.7°(0.13), 43.0°(0.2), 43.8°(0.27), 44.5°(0.31), 45.3°(0.11), 45.8°(0.17), 47.3°(0.11), 49.7°(0.2), 50.9°(0.1), 52.0°(0.08), 53.8°(0.09), 55.5°(0.11), 58.6°(0.14), 67.7°(0... | JVASP-97718 | 4.91 6.81 7.35
90 90 93
Ta 0.464 0.786 0.750
Ta 0.536 0.214 0.250
Pb 0.980 0.683 0.250
Pb 0.020 0.317 0.750
F 0.680 0.794 0.530
F 0.802 0.359 0.075
F 0.845 0.051 0.250
F 0.802 0.359 0.425
F 0.198 0.641 0.925
F 0.632 0.060 0.750
F 0.594 0.512 0.750
F 0.155 0.949 0.750
F 0.198 0.641 0.575
F 0.680 0.794 0.970
F 0.320 0.20... |
Below is a description of a material. | The chemical formula is: ZnGeO3.
The XRD pattern shows main peaks at: 19.0°(0.05), 24.0°(0.24), 32.8°(1.0), 35.6°(0.84), 38.2°(0.12), 40.7°(0.11), 49.2°(0.38), 53.5°(0.34), 56.7°(0.08), 62.2°(0.34), 64.0°(0.31), 71.3°(0.11), 75.4°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-10235 | 5.50 5.50 5.50
54 54 54
Zn 0.369 0.369 0.369
Zn 0.631 0.631 0.631
Ge 0.156 0.156 0.156
Ge 0.844 0.844 0.844
O 0.047 0.784 0.439
O 0.784 0.439 0.047
O 0.439 0.047 0.784
O 0.953 0.216 0.561
O 0.561 0.953 0.216
O 0.216 0.561 0.953 |
Below is a description of a material. | The chemical formula is: InGeCl3.
The XRD pattern shows main peaks at: 16.8°(0.18), 23.2°(0.93), 24.4°(0.73), 27.8°(0.05), 29.7°(0.41), 33.9°(1.0), 37.3°(0.39), 40.1°(0.21), 42.2°(0.38), 42.9°(0.17), 47.5°(0.15), 49.5°(0.16), 49.9°(0.4), 61.7°(0.16).
Generate atomic structure description with lattice lengths, angles, c... | JVASP-120085 | 5.30 5.30 5.30
87 87 87
In 0.935 0.933 0.922
Ge 0.493 0.490 0.481
Cl 0.027 0.520 0.511
Cl 0.523 0.521 0.016
Cl 0.522 0.025 0.511 |
Below is a description of a material. | The chemical formula is: ZrFeP.
The XRD pattern shows main peaks at: 26.8°(0.24), 28.2°(0.12), 37.1°(0.2), 37.6°(0.97), 38.1°(0.31), 39.3°(1.0), 40.8°(0.36), 44.8°(0.28), 45.3°(0.43), 48.3°(0.41), 59.5°(0.08), 63.1°(0.13), 64.4°(0.09), 65.0°(0.2), 68.0°(0.16), 74.3°(0.26), 83.0°(0.09), 84.0°(0.11), 84.4°(0.07), 87.5°(0... | JVASP-23502 | 3.77 6.34 7.09
90 90 90
Zr 0.250 0.514 0.686
Zr 0.750 0.486 0.314
Zr 0.250 0.014 0.814
Zr 0.750 0.986 0.186
Fe 0.750 0.854 0.563
Fe 0.250 0.146 0.437
Fe 0.750 0.354 0.937
Fe 0.250 0.646 0.063
P 0.250 0.282 0.111
P 0.750 0.718 0.889
P 0.250 0.782 0.389
P 0.750 0.218 0.611 |
Below is a description of a material. | The chemical formula is: BeAlPdPt.
The XRD pattern shows main peaks at: 25.9°(0.15), 30.0°(0.8), 43.0°(1.0), 53.3°(0.22), 62.4°(0.16), 70.8°(0.29), 78.8°(0.34).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-191155 | 4.21 4.21 4.21
60 60 60
Be 0.500 0.500 0.500
Pd 0.250 0.250 0.250
Pt 0.750 0.750 0.750
Al -0.000 -0.000 -0.000 |
Below is a description of a material. | The chemical formula is: BaAg2.
The XRD pattern shows main peaks at: 20.6°(0.06), 29.6°(1.0), 36.8°(0.57), 42.0°(0.13), 47.9°(0.26), 57.0°(0.31), 61.9°(0.22), 66.2°(0.1), 78.2°(0.06), 81.6°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-7745 | 4.89 6.51 6.51
82 67 67
Ba 0.000 0.750 0.250
Ba -0.000 0.250 0.750
Ag 0.667 0.833 0.833
Ag 0.333 0.167 0.167
Ag 0.333 0.667 0.667
Ag 0.667 0.333 0.333 |
Below is a description of a material. | The chemical formula is: Ta2TiW.
The XRD pattern shows main peaks at: 23.7°(0.12), 27.4°(0.05), 39.2°(1.0), 46.3°(0.05), 56.7°(0.15), 71.1°(0.33), 84.3°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-105259 | 4.60 4.60 4.60
60 60 60
Ta 0.250 0.250 0.250
Ta 0.750 0.750 0.750
Ti 0.500 0.500 0.500
W 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Sr3Al2Sn2.
The XRD pattern shows main peaks at: 17.8°(0.19), 20.3°(0.16), 22.4°(0.13), 26.8°(0.78), 28.3°(1.0), 28.8°(0.56), 32.4°(0.85), 36.3°(0.45), 37.4°(0.45), 38.3°(0.29), 40.2°(0.33), 45.8°(0.21), 49.0°(0.14), 50.2°(0.22), 53.2°(0.31), 55.3°(0.26), 60.6°(0.11), 62.5°(0.14), 62.9°(0.13), 6... | JVASP-149891 | 10.50 10.50 10.50
155 152 37
Sr 0.183 0.183 -0.000
Sr 0.817 0.817 0.000
Sr -0.000 0.500 0.500
Al 0.437 0.937 0.500
Al 0.563 0.063 0.500
Sn 0.358 0.358 0.000
Sn 0.642 0.642 0.000 |
Below is a description of a material. | The chemical formula is: NbGe2.
The XRD pattern shows main peaks at: 35.7°(0.15), 38.1°(1.0), 39.5°(0.34), 44.7°(0.63), 54.3°(0.08), 65.7°(0.19), 66.0°(0.19), 70.4°(0.16), 75.6°(0.14), 79.7°(0.1), 88.2°(0.08), 88.8°(0.19).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-14675 | 5.03 5.03 6.84
90 90 120
Nb -0.000 0.500 0.167
Nb 0.500 0.500 0.833
Nb 0.500 -0.000 0.500
Ge 0.835 0.671 0.500
Ge 0.165 0.835 0.833
Ge 0.671 0.835 0.167
Ge 0.165 0.329 0.500
Ge 0.835 0.165 0.833
Ge 0.329 0.165 0.167 |
Below is a description of a material. | The chemical formula is: ZnH.
The XRD pattern shows main peaks at: 27.7°(0.77), 39.3°(0.84), 48.7°(1.0), 57.2°(0.1), 71.2°(0.14), 71.6°(0.28), 78.0°(0.21), 84.4°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-126737 | 2.65 2.65 3.22
90 90 119
Zn 0.333 0.667 0.250
H 0.667 0.333 0.750 |
Below is a description of a material. | The chemical formula is: LaSi2Rh.
The XRD pattern shows main peaks at: 10.4°(0.15), 20.9°(0.17), 29.9°(0.92), 33.5°(1.0), 38.2°(0.27), 39.8°(0.1), 41.5°(0.27), 42.8°(0.26), 47.9°(0.14), 52.0°(0.13), 52.8°(0.16), 55.4°(0.27), 57.7°(0.17), 61.2°(0.16), 65.2°(0.11), 68.7°(0.07), 70.6°(0.13), 86.2°(0.07).
Generate atomic s... | JVASP-149702 | 8.78 8.78 4.23
90 90 151
La 0.105 0.895 0.250
La 0.895 0.105 0.750
Si 0.460 0.540 0.250
Si 0.540 0.460 0.750
Si 0.751 0.249 0.250
Si 0.249 0.751 0.750
Rh 0.319 0.681 0.250
Rh 0.681 0.319 0.750 |
Below is a description of a material. | The chemical formula is: ThCo5.
The XRD pattern shows main peaks at: 20.8°(0.18), 22.2°(0.14), 30.6°(0.73), 36.5°(0.39), 42.4°(0.37), 43.1°(1.0), 45.4°(0.22), 59.5°(0.18), 62.1°(0.2), 63.8°(0.23), 65.6°(0.07), 70.2°(0.22), 77.5°(0.15), 82.2°(0.15), 83.4°(0.08), 85.6°(0.09).
Generate atomic structure description with la... | JVASP-149304 | 4.93 4.93 4.00
90 90 120
Th 0.000 0.000 0.000
Co 0.333 0.667 0.000
Co 0.667 0.333 0.000
Co 0.500 -0.000 0.500
Co 0.000 0.500 0.500
Co 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Pm2InPb.
The XRD pattern shows main peaks at: 32.7°(1.0), 46.9°(0.18), 58.4°(0.36), 68.5°(0.11), 78.0°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-157471 | 5.48 5.48 5.48
60 60 60
Pm 0.000 0.000 0.000
Pm 0.500 0.500 0.500
In 0.250 0.250 0.250
Pb 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: RbIn2Au2.
The XRD pattern shows main peaks at: 15.1°(0.13), 19.8°(0.83), 26.0°(0.31), 29.3°(0.89), 30.2°(0.86), 37.1°(1.0), 40.4°(0.99), 42.4°(0.23), 42.7°(0.47), 47.9°(0.45), 53.4°(0.37), 57.8°(0.4), 62.1°(0.1), 62.6°(0.2), 63.3°(0.11), 69.0°(0.36), 70.7°(0.12), 75.7°(0.25), 78.9°(0.12), 87.4°... | JVASP-158034 | 4.85 4.85 6.80
110 110 90
Rb 0.000 0.000 0.000
In 0.750 0.250 0.500
In 0.250 0.750 0.500
Au 0.619 0.619 0.238
Au 0.381 0.381 0.762 |
Below is a description of a material. | The chemical formula is: CaSnS3.
The XRD pattern shows main peaks at: 14.3°(0.51), 18.9°(0.48), 23.8°(1.0), 24.6°(0.54), 28.9°(0.13), 31.2°(0.18), 32.1°(0.95), 33.6°(0.33), 37.6°(0.92), 38.4°(0.36), 41.2°(0.1), 43.8°(0.13), 46.1°(0.35), 48.2°(0.86), 48.7°(0.13), 50.9°(0.31), 54.4°(0.21), 59.9°(0.07), 63.2°(0.18), 70.6°... | JVASP-40207 | 3.78 6.46 9.39
90 90 107
Ca 0.747 0.493 0.750
Ca 0.253 0.507 0.250
Sn 0.000 0.000 0.500
Sn 0.000 0.000 0.000
S 0.081 0.162 0.750
S 0.919 0.838 0.250
S 0.357 0.714 0.549
S 0.643 0.286 0.451
S 0.357 0.714 0.951
S 0.643 0.286 0.049 |
Below is a description of a material. | The chemical formula is: GeH4.
The XRD pattern shows main peaks at: 16.5°(0.98), 31.5°(1.0), 33.3°(0.23), 39.6°(0.54), 41.7°(0.12), 45.1°(0.25), 48.4°(0.13), 50.9°(0.06), 52.7°(0.23), 54.4°(0.1), 57.3°(0.09), 63.2°(0.06), 65.8°(0.11), 68.9°(0.09), 69.8°(0.09), 73.3°(0.08), 74.7°(0.14), 79.6°(0.07), 84.3°(0.06), 85.3°(0... | JVASP-150860 | 5.74 5.74 4.33
90 90 139
Ge 0.750 0.250 0.750
Ge 0.250 0.750 0.250
H 0.527 0.473 0.750
H 0.473 0.527 0.250
H 0.543 0.457 0.250
H 0.457 0.543 0.750
H 0.035 0.965 0.998
H 0.965 0.035 0.498
H 0.035 0.965 0.502
H 0.965 0.035 0.002 |
Below is a description of a material. | The chemical formula is: ZnBi4O8.
The XRD pattern shows main peaks at: 14.4°(0.23), 21.6°(0.96), 26.3°(0.49), 28.4°(0.78), 28.7°(0.96), 29.2°(0.97), 30.7°(0.77), 31.4°(1.0), 32.3°(0.56), 34.2°(0.23), 35.4°(0.33), 39.8°(0.25), 41.3°(0.29), 44.1°(0.32), 48.7°(0.72), 50.2°(0.36), 52.4°(0.25), 53.2°(0.24), 54.4°(0.3), 56.2... | JVASP-10738 | 3.64 7.05 8.97
108 102 106
Zn 0.574 0.257 0.760
Bi 0.322 0.732 0.942
Bi 0.207 0.089 0.347
Bi 0.706 0.790 0.589
Bi 0.797 0.445 0.182
O 0.369 0.431 0.340
O 0.402 0.945 0.805
O 0.618 0.077 0.184
O 0.653 0.566 0.768
O 0.917 0.771 0.106
O 0.935 0.139 0.620
O 0.128 0.420 0.965
O 0.101 0.770 0.415 |
Below is a description of a material. | The chemical formula is: HoMoC2.
The XRD pattern shows main peaks at: 29.4°(0.12), 31.4°(0.06), 32.0°(0.23), 32.5°(0.35), 33.3°(0.33), 35.2°(1.0), 40.0°(0.19), 40.4°(0.21), 46.4°(0.07), 50.3°(0.07), 53.3°(0.1), 54.5°(0.13), 56.3°(0.2), 61.8°(0.14), 64.9°(0.1), 65.4°(0.1), 70.0°(0.08), 72.0°(0.06), 79.7°(0.06).
Generate... | JVASP-154396 | 3.37 5.69 10.77
90 90 90
Ho 0.250 0.087 0.863
Ho 0.750 0.413 0.363
Ho 0.750 0.913 0.137
Ho 0.250 0.587 0.637
Mo 0.250 0.400 0.110
Mo 0.750 0.100 0.610
Mo 0.750 0.600 0.890
Mo 0.250 0.900 0.390
C 0.250 0.158 0.247
C 0.750 0.342 0.747
C 0.750 0.842 0.753
C 0.250 0.658 0.253
C 0.250 0.726 0.985
C 0.750 0.774 0.485
C 0.750... |
Below is a description of a material. | The chemical formula is: CuH6BrN2.
The XRD pattern shows main peaks at: 14.0°(0.43), 18.5°(0.28), 22.1°(0.29), 25.5°(1.0), 27.2°(0.41), 28.6°(0.38), 30.3°(0.46), 32.1°(0.76), 33.9°(0.13), 37.2°(0.14), 37.6°(0.13), 38.4°(0.22), 43.2°(0.18), 43.9°(0.16), 45.0°(0.26), 45.3°(0.24), 48.8°(0.23), 60.6°(0.12), 62.1°(0.13), 62... | JVASP-39990 | 5.72 6.83 7.19
61 101 113
Cu -0.000 -0.000 -0.000
Cu 0.500 -0.000 0.000
H 0.213 0.825 0.771
H 0.287 0.404 0.771
H 0.514 0.861 0.743
H 0.986 0.396 0.743
H 0.412 0.092 0.618
H 0.088 0.290 0.618
H 0.912 0.710 0.382
H 0.014 0.604 0.257
H 0.486 0.139 0.257
H 0.713 0.596 0.229
H 0.787 0.175 0.230
H 0.588 0.908 0.382
Br 0.250... |
Below is a description of a material. | The chemical formula is: La3AlC.
The XRD pattern shows main peaks at: 17.0°(0.23), 24.2°(0.14), 29.7°(1.0), 34.5°(0.6), 38.7°(0.13), 42.6°(0.06), 49.6°(0.4), 52.8°(0.06), 58.9°(0.46), 61.8°(0.14), 72.7°(0.07), 80.5°(0.18), 83.0°(0.19).
Generate atomic structure description with lattice lengths, angles, coordinates and ... | JVASP-92298 | 5.20 5.20 5.20
90 90 90
La 0.500 0.500 0.000
La 0.500 0.000 0.500
La 0.000 0.500 0.500
Al 0.000 0.000 0.000
C 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: NO.
The XRD pattern shows main peaks at: 17.5°(0.35), 32.5°(1.0), 34.7°(0.62), 35.3°(0.22), 40.8°(0.91), 54.9°(0.05), 55.8°(0.14), 62.2°(0.06), 67.4°(0.1), 71.6°(0.09), 74.3°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-99051 | 3.29 5.97 5.88
58 90 90
N 0.000 0.127 0.181
N 0.500 0.873 0.319
N -0.000 0.873 0.819
N 0.500 0.127 0.681
O 0.000 0.271 0.949
O 0.500 0.729 0.551
O -0.000 0.729 0.051
O 0.500 0.271 0.449 |
Below is a description of a material. | The chemical formula is: PrCo2P2.
The XRD pattern shows main peaks at: 24.7°(0.48), 33.2°(0.32), 34.2°(0.78), 37.2°(1.0), 47.6°(0.4), 48.4°(0.18), 59.3°(0.19), 60.0°(0.29), 62.0°(0.31), 69.7°(0.17), 88.8°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-92449 | 3.82 3.82 6.04
108 108 89
Pr 0.000 0.000 0.000
Co 0.250 0.750 0.500
Co 0.750 0.250 0.500
P 0.644 0.644 0.287
P 0.356 0.356 0.713 |
Below is a description of a material. | The chemical formula is: CuS2.
The XRD pattern shows main peaks at: 26.5°(0.27), 30.7°(1.0), 34.4°(0.25), 37.8°(0.24), 44.0°(0.48), 52.1°(0.69), 54.6°(0.15), 57.0°(0.13), 59.4°(0.15), 70.5°(0.15), 72.6°(0.1), 80.8°(0.1), 86.9°(0.32).
Generate atomic structure description with lattice lengths, angles, coordinates and at... | JVASP-85835 | 5.83 5.83 5.83
90 89 90
Cu 0.000 0.500 0.500
Cu 0.000 0.000 0.000
Cu 0.500 0.500 0.000
Cu 0.500 0.000 0.500
S 0.101 0.601 0.899
S 0.899 0.399 0.101
S 0.399 0.101 0.899
S 0.899 0.101 0.601
S 0.601 0.601 0.601
S 0.399 0.399 0.399
S 0.101 0.899 0.399
S 0.601 0.899 0.101 |
Below is a description of a material. | The chemical formula is: BeVRh.
The XRD pattern shows main peaks at: 15.0°(0.78), 30.2°(0.25), 38.7°(0.26), 41.7°(1.0), 46.0°(0.19), 49.8°(0.53), 61.6°(0.15), 70.0°(0.14), 72.0°(0.07), 76.2°(0.17), 78.1°(0.08), 84.9°(0.11), 87.9°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-74562 | 2.69 2.69 5.92
90 90 119
Be 0.000 0.000 0.991
V 0.333 0.667 0.326
Rh 0.667 0.333 0.683 |
Below is a description of a material. | The chemical formula is: NaErPO4F.
The XRD pattern shows main peaks at: 14.3°(0.89), 19.9°(0.79), 20.8°(0.79), 25.8°(1.0), 28.5°(0.79), 29.6°(0.4), 30.7°(0.89), 33.3°(0.99), 35.9°(0.28), 38.7°(0.53), 42.2°(0.49), 42.9°(0.09), 43.8°(0.15), 48.7°(0.39), 50.0°(0.32), 50.5°(0.22), 52.3°(0.28), 53.1°(0.4), 54.5°(0.22), 56.0... | JVASP-58266 | 5.63 5.63 6.46
77 77 75
Na 0.705 0.295 0.500
Na 0.295 0.705 0.500
Er 0.283 0.283 0.117
Er 0.717 0.717 0.883
P 0.847 0.847 0.276
P 0.153 0.153 0.724
O 0.983 0.629 0.153
O 0.371 0.017 0.847
O 0.020 0.020 0.272
O 0.980 0.980 0.728
O 0.742 0.742 0.510
O 0.258 0.258 0.490
O 0.017 0.371 0.847
O 0.629 0.983 0.153
F 0.519 0.51... |
Below is a description of a material. | The chemical formula is: MgScGaCu.
The XRD pattern shows main peaks at: 27.5°(0.15), 39.3°(1.0), 56.9°(0.17), 71.3°(0.32), 84.6°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-189199 | 4.58 4.58 4.58
60 60 60
Sc 0.500 0.500 0.500
Mg 0.000 -0.000 -0.000
Cu 0.250 0.250 0.250
Ga 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: RbInO.
The XRD pattern shows main peaks at: 13.7°(0.21), 16.8°(0.14), 27.6°(0.56), 28.3°(0.54), 29.0°(0.11), 30.6°(0.95), 33.1°(1.0), 33.9°(0.1), 35.8°(0.42), 42.1°(0.13), 43.8°(0.12), 49.0°(0.27), 50.0°(0.23), 50.3°(0.13), 51.0°(0.16), 54.8°(0.09), 58.9°(0.2), 59.3°(0.13), 61.1°(0.12), 63.8°(0... | JVASP-183168 | 6.99 6.99 6.42
106 106 29
Rb 0.119 0.119 0.341
Rb 0.881 0.881 0.659
In 0.648 0.648 0.854
In 0.352 0.352 0.146
O 0.751 0.751 0.198
O 0.249 0.249 0.802 |
Below is a description of a material. | The chemical formula is: Ba2LaSbO6.
The XRD pattern shows main peaks at: 28.9°(1.0), 29.2°(0.96), 41.5°(0.52), 51.4°(0.47), 51.9°(0.19), 59.9°(0.17), 60.5°(0.17), 68.0°(0.18), 68.4°(0.18), 75.5°(0.08), 82.7°(0.18), 83.2°(0.1), 83.8°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates a... | JVASP-151356 | 6.12 6.12 6.12
60 60 60
Ba 0.748 0.748 0.748
Ba 0.252 0.252 0.252
La 0.000 0.000 0.000
Sb 0.500 0.500 0.500
O 0.273 0.683 0.778
O 0.683 0.778 0.273
O 0.778 0.273 0.683
O 0.727 0.317 0.222
O 0.317 0.222 0.727
O 0.222 0.727 0.317 |
Below is a description of a material. | The chemical formula is: Ge2SbO6.
The XRD pattern shows main peaks at: 13.2°(0.29), 18.6°(0.65), 23.6°(0.51), 27.9°(1.0), 29.6°(0.8), 30.0°(0.11), 32.9°(0.26), 33.5°(0.44), 34.8°(0.49), 36.1°(0.09), 37.1°(0.16), 41.3°(0.12), 42.0°(0.12), 43.7°(0.12), 45.7°(0.14), 52.1°(0.25), 52.5°(0.18), 53.8°(0.18), 56.9°(0.13), 64.3... | JVASP-10319 | 5.68 6.92 6.92
85 75 75
Ge 0.731 0.389 0.223
Ge 0.769 0.777 0.611
Ge 0.269 0.611 0.777
Ge 0.231 0.223 0.389
Sb 0.750 0.887 0.113
Sb 0.250 0.113 0.887
O 0.638 0.949 0.820
O 0.862 0.180 0.051
O 0.669 0.618 0.092
O 0.831 0.908 0.382
O 0.331 0.382 0.908
O 0.529 0.660 0.597
O 0.971 0.403 0.340
O 0.138 0.820 0.949
O 0.029 0.... |
Below is a description of a material. | The chemical formula is: Zr2ScInH.
The XRD pattern shows main peaks at: 20.0°(0.08), 28.2°(0.08), 34.8°(1.0), 39.9°(0.19), 40.6°(0.35), 58.2°(0.24), 58.7°(0.12), 69.1°(0.12), 70.1°(0.26), 73.4°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-191229 | 4.45 4.45 4.52
90 90 90
Sc 0.000 0.000 0.500
H 0.000 0.000 0.000
Zr 0.000 0.500 0.000
Zr 0.500 0.000 0.000
In 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: CaBeAs.
The XRD pattern shows main peaks at: 11.4°(0.79), 22.8°(0.33), 29.4°(1.0), 31.6°(0.31), 34.5°(0.29), 37.6°(0.34), 42.1°(0.37), 43.7°(0.12), 46.0°(0.51), 48.4°(0.18), 55.5°(0.27), 61.0°(0.1), 66.1°(0.06), 67.6°(0.1), 69.2°(0.16), 70.4°(0.07), 72.1°(0.12), 73.9°(0.09), 75.4°(0.07), 79.7°(... | JVASP-137128 | 3.04 3.04 7.79
90 90 90
Ca 0.000 0.000 -0.019
Be 0.000 0.000 0.619
As 0.000 0.000 0.342 |
Below is a description of a material. | The chemical formula is: TiSi2O6.
The XRD pattern shows main peaks at: 14.0°(0.36), 19.8°(0.67), 20.2°(0.47), 25.1°(0.38), 29.6°(1.0), 31.2°(0.58), 32.1°(0.11), 35.7°(0.33), 37.0°(0.2), 41.7°(0.17), 42.4°(0.1), 45.0°(0.08), 46.8°(0.17), 55.6°(0.16), 57.0°(0.17), 58.4°(0.11), 66.1°(0.08), 68.4°(0.12), 70.0°(0.1), 75.1°(... | JVASP-12680 | 6.54 6.54 5.35
75 104 95
Ti 0.893 0.893 0.250
Ti 0.107 0.107 0.750
Si 0.786 0.383 0.247
Si 0.617 0.214 0.747
Si 0.383 0.786 0.253
Si 0.214 0.617 0.753
O 0.954 0.187 0.365
O 0.813 0.046 0.865
O 0.899 0.619 0.222
O 0.046 0.813 0.635
O 0.650 0.367 0.953
O 0.350 0.633 0.047
O 0.619 0.899 0.278
O 0.367 0.650 0.547
O 0.101 0... |
Below is a description of a material. | The chemical formula is: BeBiSb2.
The XRD pattern shows main peaks at: 9.6°(0.19), 19.4°(0.07), 26.9°(0.27), 28.7°(0.87), 29.2°(0.57), 33.4°(1.0), 38.5°(0.57), 40.2°(0.19), 48.3°(0.13), 49.0°(0.54), 55.5°(0.2), 57.4°(0.26), 62.8°(0.06), 64.0°(0.24), 66.4°(0.26), 70.7°(0.08), 76.6°(0.07), 82.4°(0.07), 84.0°(0.19), 89.7°... | JVASP-71319 | 3.31 3.31 9.17
90 90 90
Be 0.000 0.000 0.481
Bi 0.500 0.500 0.686
Sb 0.000 0.000 0.006
Sb 0.500 0.500 0.326 |
Below is a description of a material. | The chemical formula is: HfBe2Ge.
The XRD pattern shows main peaks at: 15.1°(0.35), 28.9°(1.0), 30.5°(0.44), 32.8°(0.26), 41.3°(0.47), 42.5°(0.83), 44.2°(0.1), 52.2°(0.39), 59.8°(0.14), 63.5°(0.06), 67.8°(0.18), 68.7°(0.17), 69.9°(0.06), 71.3°(0.15), 76.2°(0.28), 78.6°(0.12).
Generate atomic structure description with ... | JVASP-67043 | 3.09 3.09 5.86
90 90 90
Hf 0.500 0.500 0.500
Be 0.000 0.000 0.801
Be 0.000 0.000 0.199
Ge 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: Co5BiO12.
The XRD pattern shows main peaks at: 10.4°(0.23), 20.8°(1.0), 21.3°(0.09), 22.7°(0.08), 24.5°(0.07), 26.7°(0.06), 35.4°(0.08), 36.0°(0.39), 38.0°(0.42), 42.3°(0.06), 43.3°(0.13), 45.5°(0.37), 50.5°(0.26), 62.5°(0.17), 63.2°(0.17), 67.4°(0.19), 69.3°(0.07).
Generate atomic structure de... | JVASP-30337 | 5.09 5.09 8.71
84 78 59
Co 0.167 0.667 0.500
Co 0.667 0.667 0.000
Co 0.333 0.333 -0.000
Co 0.833 0.333 0.500
Co 0.500 -0.000 0.500
Bi 0.000 0.000 0.000
O 0.039 0.378 0.881
O 0.339 -0.000 0.119
O 0.582 0.378 0.119
O 0.800 0.667 0.601
O 0.131 -0.000 0.605
O 0.200 0.333 0.399
O 0.533 0.667 0.399
O 0.661 0.000 0.881
O 0.41... |
Below is a description of a material. | The chemical formula is: Na3CeF7.
The XRD pattern shows main peaks at: 16.5°(0.36), 18.1°(1.0), 22.2°(0.17), 23.3°(0.08), 27.8°(0.43), 28.7°(0.54), 29.7°(0.22), 36.6°(0.18), 41.1°(0.11), 43.9°(0.09), 45.2°(0.22), 47.2°(0.49), 47.7°(0.13), 54.5°(0.08).
Generate atomic structure description with lattice lengths, angles, ... | JVASP-165150 | 5.53 5.53 6.71
115 115 87
Na 0.233 0.774 0.517
Na 0.504 0.504 0.974
Na 0.774 0.233 0.517
Ce 0.959 0.959 0.976
F 0.170 0.170 0.862
F 0.100 0.624 0.739
F 0.359 0.927 0.237
F 0.624 0.100 0.739
F 0.608 0.608 0.715
F 0.927 0.359 0.237
F 0.868 0.868 0.237 |
Below is a description of a material. | The chemical formula is: UAlFe.
The XRD pattern shows main peaks at: 15.7°(0.22), 22.3°(0.5), 27.3°(0.46), 31.6°(0.47), 35.6°(0.93), 39.1°(1.0), 42.3°(0.31), 45.6°(0.25), 48.3°(0.25), 53.9°(0.14), 56.5°(0.2), 58.9°(0.29), 63.8°(0.57), 77.4°(0.37), 79.8°(0.13).
Generate atomic structure description with lattice lengths,... | JVASP-150423 | 6.53 6.53 3.98
90 90 120
U 0.577 -0.000 0.500
U -0.000 0.577 0.500
U 0.423 0.423 0.500
Al 0.235 -0.000 0.000
Al -0.000 0.235 0.000
Al 0.765 0.765 0.000
Fe 0.333 0.667 0.000
Fe 0.667 0.333 0.000
Fe 0.000 0.000 0.500 |
Below is a description of a material. | The chemical formula is: GeSbAu.
The XRD pattern shows main peaks at: 23.3°(0.64), 38.5°(1.0), 45.5°(0.32), 55.6°(0.16), 61.0°(0.13), 69.6°(0.36), 74.5°(0.11), 82.5°(0.1), 87.1°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-156451 | 4.68 4.68 4.68
60 60 60
Ge 0.250 0.250 0.250
Sb 0.750 0.750 0.750
Au 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Ta.
The XRD pattern shows main peaks at: 38.4°(1.0), 55.5°(0.19), 69.5°(0.37), 82.4°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-1014 | 2.87 2.87 2.87
109 109 109
Ta 0.000 0.000 -0.000 |
Below is a description of a material. | The chemical formula is: CO2.
The XRD pattern shows main peaks at: 28.1°(0.26), 29.7°(1.0), 35.9°(0.75), 44.7°(0.21), 45.1°(0.21), 53.6°(0.05), 58.0°(0.05), 65.4°(0.09), 80.6°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-173477 | 4.50 4.50 8.11
90 90 90
C 0.000 -0.000 0.750
C -0.000 0.000 0.250
C 0.500 0.500 0.500
C 0.500 0.500 -0.000
O 0.684 0.316 0.500
O 0.316 0.684 0.000
O 0.816 0.816 0.250
O 0.184 0.184 0.750
O 0.684 0.316 -0.000
O 0.316 0.684 0.500
O 0.816 0.816 0.750
O 0.184 0.184 0.250 |
Below is a description of a material. | The chemical formula is: NbNi3.
The XRD pattern shows main peaks at: 39.5°(0.12), 40.4°(0.29), 42.4°(0.49), 45.1°(0.59), 45.8°(1.0), 59.3°(0.07), 60.0°(0.17), 72.2°(0.17), 74.0°(0.08), 79.4°(0.1), 80.0°(0.19), 87.5°(0.2), 89.2°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and at... | JVASP-11955 | 4.26 4.56 5.13
90 90 90
Nb 0.250 0.349 0.750
Nb 0.750 0.651 0.250
Ni 0.250 0.318 0.250
Ni 0.750 0.682 0.750
Ni 0.750 0.159 0.500
Ni 0.250 0.841 0.500
Ni 0.250 0.841 1.000
Ni 0.750 0.159 0.000 |
Below is a description of a material. | The chemical formula is: ThRhPb.
The XRD pattern shows main peaks at: 22.6°(0.11), 26.2°(0.46), 37.3°(1.0), 44.1°(0.05), 46.2°(0.14), 53.8°(0.18), 60.8°(0.2), 67.4°(0.36), 79.6°(0.12), 85.5°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-160501 | 4.82 4.82 4.82
60 60 60
Th 0.750 0.750 0.750
Rh 0.000 0.000 0.000
Pb 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: Li4FeSi2O7.
The XRD pattern shows main peaks at: 13.2°(0.21), 18.9°(0.78), 24.9°(1.0), 26.6°(0.13), 33.5°(0.22), 35.6°(0.99), 36.2°(0.99), 40.5°(0.06), 43.0°(0.05), 44.9°(0.09), 59.4°(0.3), 60.4°(0.31), 62.2°(0.14), 70.2°(0.11), 71.8°(0.09), 73.7°(0.09).
Generate atomic structure description wi... | JVASP-47371 | 4.48 5.27 6.79
80 90 64
Li 0.164 0.702 0.435
Li 0.721 0.575 0.147
Li 0.295 0.425 0.853
Li 0.866 0.298 0.565
Fe 0.001 0.000 -0.000
Si 0.567 0.848 0.710
Si 0.415 0.152 0.290
O 0.338 0.894 0.227
O 0.864 0.733 0.890
O 0.494 0.591 0.654
O 0.085 0.409 0.346
O 0.597 0.267 0.110
O 0.232 0.106 0.773
O 0.688 0.000 0.500 |
Below is a description of a material. | The chemical formula is: CoTe.
The XRD pattern shows main peaks at: 31.2°(1.0), 43.1°(0.55), 46.4°(0.48), 57.0°(0.17), 58.5°(0.21), 65.1°(0.15), 76.4°(0.15), 77.7°(0.07), 83.7°(0.13), 86.0°(0.08), 88.6°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-19832 | 3.92 3.92 5.35
90 90 120
Co 0.000 0.000 0.000
Co 0.000 0.000 0.500
Te 0.333 0.667 0.750
Te 0.667 0.333 0.250 |
Below is a description of a material. | The chemical formula is: SrI3.
The XRD pattern shows main peaks at: 9.0°(0.06), 23.9°(0.15), 27.2°(0.12), 28.7°(1.0), 31.5°(0.51), 35.3°(0.11), 42.1°(0.14), 45.1°(0.18), 49.0°(0.09), 51.7°(0.09), 54.4°(0.29), 65.7°(0.05), 74.7°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and a... | JVASP-131963 | 4.02 4.02 9.84
90 90 90
Sr 0.250 0.250 0.125
I 0.250 0.250 0.625
I 0.750 0.750 0.319
I 0.750 0.750 0.931 |
Below is a description of a material. | The chemical formula is: Mg6CoSn.
The XRD pattern shows main peaks at: 16.5°(0.48), 24.8°(0.41), 28.8°(0.08), 33.4°(0.25), 34.4°(0.17), 37.3°(0.25), 38.4°(1.0), 41.0°(0.09), 44.8°(0.06), 50.9°(0.16), 54.7°(0.06), 59.8°(0.13), 68.0°(0.18), 72.6°(0.16), 73.3°(0.1).
Generate atomic structure description with lattice lengt... | JVASP-94150 | 6.18 6.18 4.83
90 90 119
Mg 0.163 0.819 0.250
Mg 0.681 0.337 0.250
Mg 0.667 0.833 0.250
Mg 0.325 0.643 0.750
Mg 0.857 0.175 0.750
Mg 0.831 0.669 0.750
Co 0.146 0.354 0.250
Sn 0.329 0.171 0.750 |
Below is a description of a material. | The chemical formula is: Pr2Al2Fe15.
The XRD pattern shows main peaks at: 25.5°(0.12), 30.2°(0.29), 37.0°(0.22), 37.9°(0.19), 43.1°(1.0), 48.5°(0.16), 62.7°(0.17), 78.8°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-112530 | 6.40 6.40 6.40
82 82 82
Pr 0.653 0.653 0.653
Pr 0.347 0.347 0.347
Al 0.898 0.898 0.898
Al 0.102 0.102 0.102
Fe 0.662 0.662 0.158
Fe 0.338 0.842 0.338
Fe 0.842 0.338 0.338
Fe 0.338 0.338 0.842
Fe 0.285 0.715 -0.000
Fe 0.715 0.000 0.285
Fe 0.285 -0.000 0.715
Fe 0.158 0.662 0.662
Fe 0.000 0.715 0.285
Fe 0.715 0.285 0.000
... |
Below is a description of a material. | The chemical formula is: NbO2F.
The XRD pattern shows main peaks at: 21.4°(1.0), 22.7°(1.0), 23.8°(0.91), 29.6°(0.24), 32.1°(0.2), 33.1°(0.47), 38.3°(0.07), 43.6°(0.22), 46.3°(0.18), 47.3°(0.15), 48.7°(0.18), 49.2°(0.08), 50.1°(0.12), 52.0°(0.08), 52.8°(0.14), 53.7°(0.16), 54.4°(0.12), 57.8°(0.06), 61.5°(0.07), 69.4°(0... | JVASP-136602 | 3.74 3.94 4.18
96 90 90
Nb 0.068 0.041 -0.034
O 0.071 0.504 0.029
O 0.568 0.954 0.874
F 0.066 0.043 0.455 |
Below is a description of a material. | The chemical formula is: CuAgS.
The XRD pattern shows main peaks at: 26.1°(0.41), 28.3°(0.07), 33.9°(1.0), 43.8°(0.18), 45.4°(0.16), 51.2°(0.41), 51.7°(0.13), 53.1°(0.1), 53.7°(0.06), 65.0°(0.11), 71.3°(0.08), 76.5°(0.08), 88.3°(0.08), 89.1°(0.06).
Generate atomic structure description with lattice lengths, angles, coo... | JVASP-94306 | 3.96 3.96 8.26
90 90 119
Cu 0.470 0.530 0.281
Cu 0.530 0.470 0.781
Ag -0.000 0.000 0.031
Ag 0.000 -0.000 0.531
S 0.808 0.192 0.281
S 0.192 0.808 0.781 |
Below is a description of a material. | The chemical formula is: ZrGeO.
The XRD pattern shows main peaks at: 22.7°(0.59), 30.2°(0.68), 38.1°(0.33), 39.9°(1.0), 46.4°(0.09), 50.8°(0.93), 56.4°(0.1), 62.7°(0.08), 72.5°(0.15), 77.0°(0.25), 80.5°(0.22), 86.1°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-134942 | 4.52 4.52 2.96
90 90 120
Zr 0.667 0.333 0.000
Ge 0.000 0.000 0.000
O 0.333 0.667 0.000 |
Below is a description of a material. | The chemical formula is: LiCdGe.
The XRD pattern shows main peaks at: 24.4°(1.0), 28.2°(0.06), 40.3°(0.81), 47.7°(0.49), 58.4°(0.13), 64.2°(0.19), 73.3°(0.26), 78.6°(0.14), 87.2°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-156340 | 4.47 4.47 4.47
60 60 60
Li 0.750 0.750 0.750
Cd 0.250 0.250 0.250
Ge 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: FeHO2.
The XRD pattern shows main peaks at: 11.9°(1.0), 26.1°(0.32), 33.4°(0.06), 41.0°(0.16), 44.2°(0.07), 47.2°(0.1), 48.0°(0.16), 48.8°(0.1), 62.5°(0.07), 64.3°(0.07), 69.6°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-91611 | 2.46 3.85 7.57
90 99 90
Fe 0.690 0.814 0.379
Fe 0.310 0.314 0.621
H 0.558 0.813 0.116
H 0.442 0.313 0.884
O 0.715 0.314 0.431
O 0.285 0.814 0.569
O 0.083 0.813 0.167
O 0.917 0.313 0.833 |
Below is a description of a material. | The chemical formula is: VAu2.
The XRD pattern shows main peaks at: 20.6°(0.11), 28.1°(0.36), 37.2°(0.71), 41.1°(1.0), 42.9°(0.08), 53.6°(0.23), 61.6°(0.08), 65.0°(0.06), 69.7°(0.45), 77.3°(0.16), 79.3°(0.08), 89.1°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-18625 | 4.83 4.83 4.94
119 90 90
V 0.500 0.470 -0.000
V 0.000 0.970 0.000
Au 0.500 0.808 0.677
Au 0.500 0.131 0.323
Au 0.000 0.632 0.323
Au 0.000 0.309 0.677 |
Below is a description of a material. | The chemical formula is: Er2Co3Si5.
The XRD pattern shows main peaks at: 18.7°(0.21), 24.5°(0.65), 25.6°(0.09), 31.9°(0.24), 32.5°(0.26), 34.8°(0.07), 36.4°(1.0), 37.2°(0.59), 37.7°(0.56), 42.2°(0.1), 46.1°(0.53), 50.2°(0.11), 52.5°(0.09), 53.6°(0.26), 59.8°(0.21), 60.6°(0.21), 61.2°(0.11), 68.0°(0.18), 73.7°(0.1), 80.... | JVASP-155115 | 7.85 7.85 7.85
138 105 88
Er 0.132 0.365 0.767
Er 0.868 0.635 0.233
Er 0.598 0.865 0.733
Er 0.402 0.135 0.267
Co 0.747 0.139 0.608
Co -0.000 0.250 0.250
Co 0.530 0.639 0.892
Co 0.470 0.361 0.108
Co -0.000 0.750 0.750
Co 0.253 0.861 0.392
Si 0.060 0.900 0.160
Si 0.500 0.250 0.750
Si 0.500 0.750 0.250
Si 0.226 0.476 0.25... |
Below is a description of a material. | The chemical formula is: PbWO4.
The XRD pattern shows main peaks at: 27.2°(1.0), 29.6°(0.16), 32.5°(0.27), 44.5°(0.31), 46.6°(0.13), 51.0°(0.18), 54.8°(0.28), 56.2°(0.14), 71.2°(0.08), 71.6°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-51629 | 5.51 5.51 7.19
112 112 90
Pb 0.626 0.375 0.249
Pb 0.376 0.625 0.749
W 0.126 0.875 0.249
W 0.876 0.125 0.749
O 0.810 0.649 0.083
O 0.649 0.275 0.583
O 0.353 0.726 0.414
O 0.276 0.936 0.083
O 0.065 0.191 0.414
O 0.192 0.352 0.914
O 0.726 0.065 0.914
O -0.063 0.810 0.583 |
Below is a description of a material. | The chemical formula is: AsBr2.
The XRD pattern shows main peaks at: 12.0°(0.53), 22.6°(0.31), 24.1°(0.15), 25.9°(1.0), 28.6°(0.14), 33.3°(0.92), 34.6°(0.22), 35.7°(0.11), 36.7°(0.19), 42.6°(0.91), 46.1°(0.13), 49.4°(0.16), 52.7°(0.13), 53.2°(0.13), 53.6°(0.17), 56.6°(0.22), 59.6°(0.18), 64.2°(0.27), 75.9°(0.12), 78.1°... | JVASP-121282 | 3.94 3.44 7.38
90 90 90
As 0.394 0.000 0.000
Br 0.003 0.000 0.744
Br 0.003 0.000 0.256 |
Below is a description of a material. | The chemical formula is: NaNi2O3.
The XRD pattern shows main peaks at: 11.7°(0.69), 23.5°(0.12), 34.9°(0.08), 35.5°(0.23), 37.0°(0.52), 42.5°(1.0), 50.7°(0.07), 60.7°(0.29), 62.7°(0.29), 72.3°(0.07), 74.1°(0.11), 78.7°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types... | JVASP-108832 | 2.97 2.96 7.58
90 90 120
Na 1.000 -0.000 0.500
Ni 0.332 0.665 0.163
Ni 0.668 0.335 0.837
O 0.335 0.669 0.708
O 0.000 0.000 0.000
O 0.665 0.331 0.292 |
Below is a description of a material. | The chemical formula is: NaCu2Se2O10.
The XRD pattern shows main peaks at: 13.0°(0.22), 18.4°(0.6), 23.9°(1.0), 25.8°(0.23), 26.8°(0.46), 31.5°(0.49), 32.3°(0.36), 32.6°(0.4), 33.4°(0.11), 35.2°(0.56), 36.9°(0.1), 39.8°(0.22), 48.9°(0.13), 49.7°(0.11), 51.9°(0.3), 54.1°(0.15), 55.3°(0.13), 60.9°(0.14), 63.1°(0.12), 68.... | JVASP-170132 | 5.58 5.58 7.45
99 106 113
Na -0.000 -0.000 -0.000
Cu -0.000 -0.000 0.500
Cu 0.500 0.500 0.500
Se 0.779 0.417 0.196
Se 0.221 0.583 0.804
O 0.326 0.717 0.043
O 0.674 0.283 0.957
O 0.002 0.320 0.322
O 0.998 0.680 0.678
O 0.942 0.773 0.254
O 0.058 0.227 0.746
O 0.519 0.689 0.746
O 0.481 0.311 0.254
O 0.374 0.175 0.549
O 0.... |
Below is a description of a material. | The chemical formula is: MnCo.
The XRD pattern shows main peaks at: 45.0°(1.0), 65.6°(0.16), 83.1°(0.3).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-78386 | 2.85 2.85 2.85
90 90 90
Mn 0.000 0.000 0.000
Co 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: CaMn2S4.
The XRD pattern shows main peaks at: 14.4°(1.0), 14.9°(0.09), 17.2°(0.1), 28.4°(0.09), 28.9°(0.07), 33.6°(0.78), 34.5°(0.7), 34.7°(0.74), 43.7°(0.1), 44.7°(0.09), 45.4°(0.08), 47.3°(0.22), 49.1°(0.45), 49.7°(0.44), 50.5°(0.21), 60.0°(0.19), 62.7°(0.21), 70.6°(0.06), 81.2°(0.07), 83.1°(... | JVASP-59903 | 7.24 7.34 7.34
89 118 118
Ca 0.000 0.000 -0.000
Ca 0.500 0.500 0.500
Mn -0.000 0.500 -0.000
Mn 0.500 0.000 0.000
Mn 0.500 0.500 -0.000
Mn 0.000 0.500 0.500
S 0.955 0.699 0.223
S 0.989 0.271 0.240
S 0.545 0.277 0.801
S 0.489 0.740 0.771
S 0.455 0.723 0.199
S 0.011 0.729 0.760
S 0.511 0.260 0.229
S 0.045 0.301 0.777 |
Below is a description of a material. | The chemical formula is: Sn7Sb.
The XRD pattern shows main peaks at: 23.0°(1.0), 38.0°(0.81), 44.8°(0.48), 54.8°(0.15), 60.2°(0.22), 68.6°(0.31), 73.4°(0.17), 81.2°(0.1), 85.8°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-122607 | 6.70 6.70 6.70
90 90 90
Sn 0.253 0.253 0.753
Sn 0.000 0.500 0.000
Sn 0.253 0.747 0.247
Sn 0.500 0.000 0.000
Sn 0.747 0.253 0.247
Sn 0.500 0.500 0.500
Sn 0.747 0.747 0.753
Sb 0.000 0.000 0.500 |
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