instruction stringclasses 1
value | input stringlengths 172 433 | id stringlengths 7 12 | output stringlengths 43 458 |
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Below is a description of a material. | The chemical formula is: Ba2YOsO6.
The XRD pattern shows main peaks at: 18.2°(0.08), 30.0°(1.0), 42.9°(0.27), 53.3°(0.38), 62.3°(0.16), 70.7°(0.17), 78.7°(0.06), 86.4°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-167948 | 5.96 5.96 5.96
60 60 59
Ba 0.250 0.250 0.250
Ba 0.750 0.750 0.750
Y 0.500 0.500 0.500
Os 0.000 -0.000 0.000
O 0.764 0.236 0.236
O 0.764 0.236 0.764
O 0.764 0.764 0.236
O 0.236 0.764 0.764
O 0.236 0.764 0.236
O 0.236 0.236 0.764 |
Below is a description of a material. | The chemical formula is: HfMn2.
The XRD pattern shows main peaks at: 21.0°(0.19), 21.9°(0.12), 23.8°(0.14), 30.6°(0.14), 36.9°(0.71), 39.6°(1.0), 42.9°(0.14), 43.3°(0.93), 44.4°(0.42), 55.2°(0.05), 61.2°(0.13), 66.5°(0.12), 68.3°(0.36), 70.9°(0.21), 73.6°(0.26), 78.5°(0.2), 85.3°(0.13).
Generate atomic structure descri... | JVASP-21693 | 4.87 4.87 8.12
90 90 119
Hf 0.333 0.667 0.564
Hf 0.667 0.333 0.064
Hf 0.667 0.333 0.436
Hf 0.333 0.667 0.936
Mn 0.171 0.829 0.250
Mn 0.829 0.658 0.750
Mn 0.342 0.171 0.750
Mn 0.658 0.829 0.250
Mn 0.000 0.000 0.000
Mn 0.000 0.000 0.500
Mn 0.829 0.171 0.750
Mn 0.171 0.342 0.250 |
Below is a description of a material. | The chemical formula is: HfTaB4.
The XRD pattern shows main peaks at: 26.0°(0.45), 33.2°(0.89), 42.7°(1.0), 53.6°(0.1), 59.3°(0.22), 64.5°(0.27), 65.8°(0.23), 69.6°(0.1), 75.7°(0.19), 84.0°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-173040 | 3.12 3.12 6.84
90 90 119
Hf 1.000 -0.000 -0.000
Ta 1.000 -0.000 0.500
B 0.333 0.667 0.255
B 0.333 0.667 0.745
B 0.667 0.333 0.255
B 0.667 0.333 0.745 |
Below is a description of a material. | The chemical formula is: Nb2RuH2.
The XRD pattern shows main peaks at: 14.2°(0.14), 36.9°(1.0), 42.6°(0.42), 43.6°(0.1), 47.4°(0.17), 61.8°(0.14), 62.6°(0.13), 74.2°(0.25), 75.7°(0.11), 78.6°(0.06), 81.4°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-193945 | 3.00 3.00 6.58
76 76 90
Ru 0.000 -0.000 -0.000
Nb 0.358 0.358 0.283
Nb 0.642 0.642 0.717
H 0.750 0.250 0.500
H 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: RbInH3.
The XRD pattern shows main peaks at: 29.2°(1.0), 41.7°(0.19), 51.7°(0.38), 60.5°(0.13), 68.6°(0.16), 83.6°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-109904 | 6.12 6.12 6.12
60 60 60
Rb 0.250 0.250 0.250
Rb 0.750 0.750 0.750
In 0.000 0.000 0.000
In 0.500 0.500 0.500
H 0.237 0.763 0.763
H 0.237 0.763 0.237
H 0.763 0.237 0.763
H 0.763 0.763 0.237
H 0.237 0.237 0.763
H 0.763 0.237 0.237 |
Below is a description of a material. | The chemical formula is: Ca3AsBr3.
The XRD pattern shows main peaks at: 21.3°(0.06), 26.2°(0.34), 30.3°(1.0), 43.4°(0.71), 51.4°(0.17), 53.8°(0.23), 63.0°(0.11), 69.5°(0.07), 71.5°(0.3), 79.6°(0.23), 85.5°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-3783 | 5.90 5.90 5.90
90 90 90
Ca 0.500 0.000 0.000
Ca 0.000 0.500 0.000
Ca 0.000 0.000 0.500
As 0.000 0.000 0.000
Br 0.000 0.500 0.500
Br 0.500 0.000 0.500
Br 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: ZrNiP.
The XRD pattern shows main peaks at: 27.4°(0.11), 30.0°(0.07), 37.0°(1.0), 48.4°(0.4), 50.0°(0.12), 62.5°(0.18), 72.2°(0.21), 82.7°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-190808 | 3.76 3.76 7.29
90 90 120
Ni 0.333 0.667 0.250
Ni 0.667 0.333 0.750
Zr -0.000 0.000 0.500
Zr -0.000 0.000 -0.000
P 0.667 0.333 0.250
P 0.333 0.667 0.750 |
Below is a description of a material. | The chemical formula is: MgTePb2O6.
The XRD pattern shows main peaks at: 19.1°(0.13), 22.1°(0.35), 31.4°(1.0), 38.7°(0.2), 45.0°(0.45), 55.8°(0.42), 56.3°(0.16), 65.3°(0.13), 65.8°(0.14), 74.4°(0.14), 74.7°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-107049 | 5.71 5.68 5.71
59 60 59
Mg 0.995 0.000 0.003
Te 0.495 0.500 0.503
Pb 0.744 0.754 0.751
Pb 0.246 0.247 0.254
O 0.214 0.744 0.740
O 0.295 0.745 0.220
O 0.735 0.742 0.303
O 0.776 0.255 0.265
O 0.695 0.254 0.785
O 0.256 0.257 0.702 |
Below is a description of a material. | The chemical formula is: BeTeIr.
The XRD pattern shows main peaks at: 13.9°(0.26), 28.1°(0.37), 30.6°(1.0), 36.7°(0.15), 42.6°(0.38), 45.0°(0.06), 46.8°(0.45), 51.8°(0.27), 61.8°(0.19), 69.2°(0.11), 70.5°(0.18), 74.2°(0.11), 78.0°(0.06), 81.0°(0.2).
Generate atomic structure description with lattice lengths, angles, co... | JVASP-67625 | 6.70 6.70 6.70
154 154 36
Be 0.889 0.889 -0.000
Te 0.658 0.658 -0.000
Ir 0.453 0.453 -0.000 |
Below is a description of a material. | The chemical formula is: Ce3Cu3Sb4.
The XRD pattern shows main peaks at: 28.9°(0.5), 34.4°(1.0), 41.4°(0.31), 43.5°(0.1), 45.5°(0.17), 47.5°(0.11), 51.3°(0.07), 58.3°(0.15), 59.9°(0.13), 61.6°(0.08), 64.8°(0.08), 69.4°(0.07), 70.9°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates a... | JVASP-155072 | 8.45 8.45 8.45
109 109 109
Ce 0.625 0.375 0.250
Ce 0.875 0.125 0.750
Ce 0.250 0.625 0.375
Ce 0.750 0.875 0.125
Ce 0.375 0.250 0.625
Ce 0.125 0.750 0.875
Cu 0.625 0.750 0.375
Cu 0.875 0.250 0.125
Cu 0.750 0.375 0.625
Cu 0.375 0.625 0.750
Cu 0.125 0.875 0.250
Cu 0.250 0.125 0.875
Sb 0.500 0.000 0.837
Sb 0.163 0.163 0.163... |
Below is a description of a material. | The chemical formula is: AlH.
The XRD pattern shows main peaks at: 31.4°(1.0), 31.9°(0.85), 34.1°(0.77), 47.1°(0.82), 55.8°(0.19), 56.3°(0.18), 56.8°(0.16), 65.4°(0.1), 66.0°(0.1), 66.6°(0.1), 67.1°(0.2), 67.5°(0.2), 67.9°(0.2), 71.9°(0.09), 75.9°(0.14), 76.4°(0.14), 77.0°(0.13), 80.6°(0.21).
Generate atomic structure ... | JVASP-139262 | 2.63 3.30 3.24
120 90 90
Al 0.929 0.943 -0.004
H 0.929 0.281 0.667 |
Below is a description of a material. | The chemical formula is: K3Zn.
The XRD pattern shows main peaks at: 15.4°(0.05), 21.9°(0.05), 26.9°(1.0), 31.2°(0.49), 44.7°(0.33), 52.9°(0.39), 55.5°(0.11), 71.7°(0.15), 73.9°(0.12), 82.3°(0.1), 88.5°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-104584 | 5.74 5.74 5.74
90 90 90
K 0.500 0.000 0.500
K 0.500 0.500 0.000
K 0.000 0.500 0.500
Zn 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: W.
The XRD pattern shows main peaks at: 35.3°(0.37), 39.7°(1.0), 43.6°(0.82), 63.4°(0.09), 66.3°(0.24), 69.2°(0.41), 74.7°(0.17), 85.4°(0.12), 88.1°(0.23).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-16490 | 5.08 5.08 5.08
90 90 90
W 0.250 0.000 0.500
W 0.750 0.000 0.500
W 0.000 0.500 0.250
W 0.000 0.500 0.750
W 0.500 0.750 0.000
W 0.500 0.250 0.000
W 0.000 0.000 0.000
W 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: AcSc3.
The XRD pattern shows main peaks at: 14.7°(0.24), 22.0°(0.77), 25.6°(0.37), 29.6°(0.27), 32.8°(0.28), 34.0°(1.0), 42.0°(0.2), 43.0°(0.26), 44.8°(0.16), 52.6°(0.18), 59.3°(0.21), 63.3°(0.22), 64.1°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and ... | JVASP-110747 | 6.97 6.97 5.46
90 90 120
Ac 0.333 0.667 0.750
Ac 0.667 0.333 0.250
Sc 0.156 0.312 0.250
Sc 0.688 0.844 0.250
Sc 0.156 0.844 0.250
Sc 0.844 0.688 0.750
Sc 0.312 0.156 0.750
Sc 0.844 0.156 0.750 |
Below is a description of a material. | The chemical formula is: Ca2AgRh.
The XRD pattern shows main peaks at: 25.2°(0.24), 36.0°(1.0), 51.8°(0.17), 64.7°(0.23), 87.4°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-80153 | 12.21 8.64 8.64
33 19 19
Ca 0.750 0.000 0.000
Ca 0.250 1.000 1.000
Ag 0.500 0.000 0.000
Rh 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Te6MoW2.
The XRD pattern shows main peaks at: 4.1°(0.3), 8.2°(0.07), 12.4°(1.0), 28.9°(0.74), 31.0°(0.15), 34.2°(0.9), 35.0°(0.97), 51.1°(0.58), 52.8°(0.15), 59.8°(0.06), 63.0°(0.14), 63.5°(0.12), 85.3°(0.09), 85.8°(0.09).
Generate atomic structure description with lattice lengths, angles, coor... | JVASP-28482 | 3.57 3.57 21.54
94 90 120
Te 0.362 0.724 0.432
Te 0.527 0.054 0.930
Te 0.749 0.499 0.595
Te 0.584 0.168 0.098
Te 0.806 0.613 0.765
Te 0.305 0.610 0.262
Mo 0.222 0.444 0.014
W 0.445 0.889 0.680
W 0.667 0.333 0.347 |
Below is a description of a material. | The chemical formula is: MgAuO3.
The XRD pattern shows main peaks at: 22.1°(0.91), 31.5°(1.0), 38.9°(0.13), 45.2°(0.32), 50.9°(0.43), 56.1°(0.4), 65.8°(0.2), 70.4°(0.2), 74.8°(0.19), 79.1°(0.07), 83.4°(0.07), 87.7°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-115451 | 4.01 4.01 4.01
90 90 90
Mg 0.000 0.000 0.000
Au 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: V2WO6.
The XRD pattern shows main peaks at: 20.1°(0.2), 21.5°(0.62), 27.0°(1.0), 33.9°(0.22), 36.1°(0.72), 38.6°(0.19), 41.1°(0.06), 43.9°(0.11), 44.6°(0.21), 49.7°(0.08), 53.9°(0.64), 55.7°(0.23), 57.5°(0.06), 63.0°(0.15), 66.9°(0.07), 68.2°(0.19), 69.8°(0.06), 74.1°(0.05), 81.2°(0.11).
Genera... | JVASP-89125 | 4.66 4.66 8.82
90 90 90
V 0.000 0.000 0.333
V 0.500 0.500 0.833
V 0.500 0.500 0.167
V 0.000 0.000 0.667
W 0.000 0.000 0.000
W 0.500 0.500 0.500
O 0.703 0.703 0.000
O 0.299 0.299 0.337
O 0.201 0.799 0.837
O 0.701 0.701 0.663
O 0.297 0.297 0.000
O 0.799 0.201 0.837
O 0.799 0.201 0.163
O 0.201 0.799 0.163
O 0.701 0.701 0.... |
Below is a description of a material. | The chemical formula is: Sc3ZnRu2.
The XRD pattern shows main peaks at: 9.0°(0.09), 27.5°(0.14), 39.1°(1.0), 48.5°(0.07), 56.9°(0.15), 71.2°(0.3).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-190384 | 3.24 3.24 9.83
90 90 90
Sc 0.000 -0.000 -0.000
Sc 0.000 0.000 0.684
Sc -0.000 -0.000 0.316
Ru 0.500 0.500 0.834
Ru 0.500 0.500 0.166
Zn 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: YSF.
The XRD pattern shows main peaks at: 25.3°(1.0), 29.3°(0.08), 41.9°(0.88), 49.5°(0.43), 60.7°(0.14), 66.8°(0.18), 76.5°(0.26), 82.1°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-134866 | 4.32 4.32 4.32
60 60 60
Y 0.000 0.000 0.000
S 0.750 0.750 0.750
F 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: Ce2O3.
The XRD pattern shows main peaks at: 26.9°(0.28), 29.7°(0.28), 30.8°(1.0), 40.5°(0.27), 47.6°(0.31), 53.4°(0.28), 57.1°(0.26), 57.8°(0.16), 64.2°(0.07), 74.3°(0.1), 78.0°(0.15), 81.4°(0.09), 83.7°(0.06), 85.9°(0.08).
Generate atomic structure description with lattice lengths, angles, coo... | JVASP-15029 | 3.82 3.82 6.02
90 90 120
Ce 0.333 0.667 0.244
Ce 0.667 0.333 0.756
O 0.333 0.667 0.642
O 0.667 0.333 0.358
O 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Sc2ZnOs.
The XRD pattern shows main peaks at: 23.6°(0.24), 27.4°(0.28), 39.1°(1.0), 46.2°(0.14), 48.4°(0.09), 56.5°(0.16), 62.1°(0.06), 63.9°(0.11), 70.8°(0.33), 84.0°(0.1), 88.8°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-40343 | 4.61 4.61 4.61
59 60 59
Sc 0.000 0.000 -0.000
Sc 0.500 0.500 0.500
Zn 0.750 0.750 0.750
Os 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: AlCu3.
The XRD pattern shows main peaks at: 26.2°(0.06), 27.2°(0.07), 40.1°(0.23), 42.8°(0.32), 45.7°(1.0), 60.1°(0.15), 72.6°(0.12), 80.5°(0.18), 88.2°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-176615 | 4.22 4.51 5.19
90 90 90
Al 0.000 0.000 0.000
Al 0.500 0.333 0.500
Cu 0.000 -0.000 0.500
Cu 0.500 0.333 0.000
Cu 0.000 0.501 0.251
Cu 0.000 0.501 0.749
Cu 0.500 0.832 0.249
Cu 0.500 0.832 0.751 |
Below is a description of a material. | The chemical formula is: CdPd.
The XRD pattern shows main peaks at: 34.0°(0.26), 39.8°(1.0), 40.8°(0.19), 54.1°(0.13), 60.8°(0.18), 73.5°(0.15), 75.2°(0.14), 75.8°(0.19).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-127772 | 3.05 3.05 4.43
90 90 120
Cd 0.333 0.667 0.250
Pd 0.667 0.333 0.750 |
Below is a description of a material. | The chemical formula is: Ba4TaTc.
The XRD pattern shows main peaks at: 26.7°(0.27), 31.4°(1.0), 32.8°(0.38), 47.1°(0.12), 50.1°(0.32), 54.9°(0.27), 62.1°(0.05), 64.7°(0.12), 65.5°(0.16), 75.2°(0.06), 77.6°(0.22).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-66177 | 6.68 6.68 6.68
60 60 60
Ba 0.124 0.625 0.625
Ba 0.625 0.625 0.625
Ba 0.625 0.124 0.625
Ba 0.625 0.625 0.124
Ta 0.250 0.250 0.250
Tc 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: BeVRu.
The XRD pattern shows main peaks at: 12.6°(1.0), 25.4°(0.31), 36.5°(0.66), 38.7°(0.41), 45.0°(0.28), 52.5°(0.24), 54.1°(0.45), 59.2°(0.12), 67.0°(0.21), 77.4°(0.07), 78.6°(0.07), 88.8°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-134108 | 2.46 2.46 7.00
90 90 90
Be 0.000 0.000 0.350
V 0.000 0.000 0.681
Ru 0.000 0.000 0.034 |
Below is a description of a material. | The chemical formula is: CdTe.
The XRD pattern shows main peaks at: 27.5°(0.43), 32.3°(0.21), 35.2°(1.0), 42.9°(0.19), 53.8°(0.28), 56.8°(0.05), 57.6°(0.16), 65.0°(0.22), 69.3°(0.12), 82.0°(0.08), 82.7°(0.08), 85.2°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-130570 | 3.20 3.20 6.49
90 90 120
Cd 0.333 0.667 0.250
Te 0.667 0.333 0.750 |
Below is a description of a material. | The chemical formula is: V4HC3.
The XRD pattern shows main peaks at: 37.7°(0.85), 43.9°(1.0), 63.6°(0.29), 76.5°(0.19), 80.5°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-194185 | 9.62 9.62 9.62
17 17 17
H 0.000 -0.000 0.000
C 0.253 0.253 0.253
C 0.500 0.500 0.500
C 0.747 0.747 0.747
V 0.877 0.877 0.877
V 0.123 0.123 0.123
V 0.376 0.376 0.376
V 0.624 0.624 0.624 |
Below is a description of a material. | The chemical formula is: Rb2CuBrCl3.
The XRD pattern shows main peaks at: 10.9°(0.26), 18.6°(0.09), 22.0°(0.12), 24.3°(0.27), 25.3°(1.0), 27.6°(0.07), 33.2°(0.36), 33.7°(0.68), 36.0°(0.77), 42.2°(0.21), 44.8°(0.1), 49.8°(0.44), 51.9°(0.28), 58.6°(0.21), 63.3°(0.24), 76.5°(0.08), 87.6°(0.06).
Generate atomic structure d... | JVASP-133425 | 8.82 8.82 7.05
90 90 132
Rb 0.861 0.139 0.500
Rb 0.361 0.639 0.000
Rb 0.136 0.864 0.500
Rb 0.636 0.364 0.000
Cu 0.504 0.496 0.500
Cu 0.004 0.996 0.000
Br 0.344 0.656 0.500
Br 0.844 0.156 0.000
Cl 0.654 0.346 0.500
Cl 0.154 0.846 0.000
Cl 0.270 0.268 0.269
Cl 0.732 0.730 0.731
Cl 0.232 0.230 0.769
Cl 0.770 0.768 0.231 |
Below is a description of a material. | The chemical formula is: BaBi2Au.
The XRD pattern shows main peaks at: 31.0°(1.0), 34.9°(0.18), 36.5°(0.33), 51.4°(0.26), 52.6°(0.11), 60.2°(0.15), 62.3°(0.29), 64.7°(0.12), 84.0°(0.13), 85.2°(0.06), 85.8°(0.06), 87.9°(0.06), 88.8°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates a... | JVASP-183520 | 4.93 4.93 5.14
90 90 90
Ba 0.500 0.500 0.500
Bi 0.000 0.500 -0.000
Bi 0.500 0.000 -0.000
Au 0.000 -0.000 0.500 |
Below is a description of a material. | The chemical formula is: VAg2PO6.
The XRD pattern shows main peaks at: 14.0°(0.27), 19.9°(0.25), 28.3°(0.11), 28.8°(1.0), 31.5°(0.94), 32.4°(0.14), 34.8°(0.72), 40.8°(0.32), 42.8°(0.22), 43.2°(0.39), 43.5°(0.29), 52.0°(0.17), 52.5°(0.2), 53.3°(0.11), 54.1°(0.18), 54.5°(0.21), 54.9°(0.16), 58.5°(0.18), 66.5°(0.14), 68.0... | JVASP-57331 | 6.31 6.34 6.95
90 116 90
V 0.616 0.088 0.233
V 0.384 0.912 0.767
Ag 0.363 0.615 0.232
Ag 0.869 0.615 0.232
Ag 0.637 0.385 0.768
Ag 0.131 0.385 0.768
P 0.847 0.851 0.695
P 0.153 0.149 0.305
O 0.492 0.208 0.984
O 0.704 0.287 0.408
O 0.903 0.635 0.807
O 0.920 0.021 0.236
O 0.278 0.178 0.555
O 0.097 0.365 0.193
O 0.296 0.7... |
Below is a description of a material. | The chemical formula is: NbSe.
The XRD pattern shows main peaks at: 39.1°(1.0), 56.5°(0.16), 70.9°(0.35), 84.1°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-129392 | 3.26 3.26 3.26
90 90 90
Nb 0.500 0.500 0.500
Se 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Pm2CuAu.
The XRD pattern shows main peaks at: 21.3°(0.12), 35.1°(1.0), 50.4°(0.18), 62.9°(0.39), 74.1°(0.12), 84.7°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-108887 | 5.12 5.12 5.12
60 60 60
Pm 0.250 0.250 0.250
Pm 0.750 0.750 0.750
Cu 0.000 0.000 0.000
Au 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Er2S2O.
The XRD pattern shows main peaks at: 20.4°(0.39), 25.7°(0.28), 26.6°(0.45), 27.2°(0.53), 29.4°(0.7), 30.7°(1.0), 33.3°(0.14), 35.6°(0.21), 37.6°(0.13), 38.0°(0.15), 39.3°(0.31), 40.0°(0.28), 42.2°(0.28), 43.2°(0.22), 44.1°(0.15), 45.8°(0.19), 51.7°(0.18), 55.8°(0.25), 57.1°(0.17), 58.1°... | JVASP-96631 | 6.80 6.82 8.18
90 99 90
Er 0.177 0.355 0.424
Er 0.823 0.645 0.576
Er 0.677 0.145 0.424
Er 0.251 0.446 0.862
Er 0.249 0.946 0.138
Er 0.749 0.554 0.138
Er 0.751 0.054 0.862
Er 0.323 0.855 0.576
S 0.421 0.632 0.318
S 0.079 0.132 0.682
S 0.579 0.368 0.682
S 0.970 0.722 0.924
S 0.530 0.222 0.076
S 0.030 0.278 0.076
S 0.470 ... |
Below is a description of a material. | The chemical formula is: LiTl.
The XRD pattern shows main peaks at: 25.7°(1.0), 36.7°(0.91), 45.4°(0.28), 52.9°(0.16), 59.7°(0.41), 66.1°(0.33), 78.0°(0.1), 83.8°(0.2), 89.5°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-19904 | 3.46 3.46 3.46
90 90 90
Li 0.000 0.000 0.000
Tl 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: LiBe2Tc.
The XRD pattern shows main peaks at: 14.7°(1.0), 29.7°(0.18), 33.3°(0.24), 36.6°(0.43), 45.2°(0.39), 47.9°(0.15), 50.4°(0.16), 57.3°(0.21), 67.9°(0.06), 72.0°(0.09), 81.7°(0.13), 87.4°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types... | JVASP-69472 | 2.69 2.69 6.02
90 90 90
Li 0.500 0.500 0.000
Be 0.000 0.000 0.763
Be 0.000 0.000 0.237
Tc 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: MgBe2Pt.
The XRD pattern shows main peaks at: 26.8°(1.0), 31.0°(0.81), 44.4°(0.72), 52.6°(0.46), 55.2°(0.21), 64.7°(0.11), 71.3°(0.2), 73.4°(0.27), 81.8°(0.25), 88.0°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-179185 | 4.08 4.08 4.08
60 60 60
Mg 0.500 0.500 0.500
Be 0.750 0.750 0.750
Be 0.250 0.250 0.250
Pt 0.000 -0.000 0.000 |
Below is a description of a material. | The chemical formula is: TiAsW2.
The XRD pattern shows main peaks at: 24.4°(0.27), 40.3°(1.0), 47.7°(0.14), 58.3°(0.17), 64.1°(0.06), 73.3°(0.33), 87.1°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-75856 | 4.48 4.48 4.48
60 60 60
Ti 0.250 0.250 0.250
As 0.500 0.500 0.500
W 0.000 0.000 0.000
W 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: Pm2SnPd.
The XRD pattern shows main peaks at: 34.0°(1.0), 48.9°(0.16), 60.9°(0.34), 71.6°(0.11), 81.7°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-41023 | 5.27 5.27 5.27
60 60 60
Pm 0.000 0.000 0.000
Pm 0.500 0.500 0.500
Sn 0.750 0.750 0.750
Pd 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: InTeO.
The XRD pattern shows main peaks at: 28.6°(0.16), 30.8°(0.27), 32.5°(1.0), 42.5°(0.11), 50.6°(0.21), 55.8°(0.21), 60.4°(0.24), 61.4°(0.15), 78.6°(0.07), 83.5°(0.13), 85.8°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-184171 | 3.61 3.61 5.81
90 90 120
In 0.333 0.667 0.500
Te 0.000 0.000 0.000
O 0.667 0.333 0.500 |
Below is a description of a material. | The chemical formula is: YSi2Pd2.
The XRD pattern shows main peaks at: 17.8°(0.21), 23.1°(0.07), 34.5°(0.17), 35.4°(1.0), 36.0°(0.14), 43.4°(0.39), 47.8°(0.15), 50.8°(0.07), 57.7°(0.14), 63.1°(0.12), 64.4°(0.15), 74.4°(0.22).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types... | JVASP-15453 | 4.17 4.17 5.79
111 111 90
Y 0.000 0.000 0.000
Si 0.617 0.617 0.234
Si 0.383 0.383 0.766
Pd 0.250 0.750 0.500
Pd 0.750 0.250 0.500 |
Below is a description of a material. | The chemical formula is: YTi2Ge2.
The XRD pattern shows main peaks at: 31.4°(0.29), 31.8°(0.7), 34.9°(1.0), 44.5°(0.61), 44.9°(0.57), 56.1°(0.27), 63.0°(0.07), 65.1°(0.38), 65.4°(0.18), 74.4°(0.06), 76.4°(0.18), 80.7°(0.14), 82.6°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates an... | JVASP-155631 | 4.03 4.03 6.55
107 107 89
Y 0.000 0.000 0.000
Ti 0.750 0.250 0.500
Ti 0.250 0.750 0.500
Ge 0.608 0.608 0.216
Ge 0.392 0.392 0.784 |
Below is a description of a material. | The chemical formula is: Ti2NbCdH.
The XRD pattern shows main peaks at: 22.1°(0.12), 29.6°(0.14), 37.3°(1.0), 42.4°(0.34), 45.2°(0.14), 48.3°(0.07), 61.5°(0.11), 63.7°(0.18), 74.1°(0.22), 78.2°(0.1), 79.5°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-187479 | 4.27 4.27 4.01
90 90 90
H 0.000 0.000 -0.000
Nb 0.000 0.000 0.500
Ti 0.000 0.500 0.000
Ti 0.500 0.000 -0.000
Cd 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: HCSNO2.
The XRD pattern shows main peaks at: 18.2°(0.51), 20.5°(0.26), 23.9°(0.18), 25.7°(0.37), 28.5°(1.0), 30.8°(0.11), 32.3°(0.16), 33.3°(0.12), 33.9°(0.12), 34.6°(0.21), 36.8°(0.15), 37.3°(0.11), 41.3°(0.08), 41.8°(0.1), 48.9°(0.06), 50.2°(0.09), 53.2°(0.06), 54.3°(0.07), 57.7°(0.05).
Gener... | JVASP-101857 | 4.46 5.65 6.76
68 79 77
H 0.636 0.571 0.260
H 0.636 0.071 0.760
C 0.092 0.720 0.266
C 0.092 0.220 0.766
S 0.180 0.440 0.234
S 0.180 0.940 0.734
N 0.601 0.772 0.185
N 0.601 0.272 0.685
O 0.805 0.361 0.780
O 0.805 0.861 0.280
O 0.295 0.862 0.277
O 0.295 0.362 0.777 |
Below is a description of a material. | The chemical formula is: Al2O3.
The XRD pattern shows main peaks at: 9.8°(0.15), 19.3°(0.3), 19.8°(1.0), 22.3°(0.88), 24.6°(0.6), 29.4°(0.7), 36.5°(0.42), 37.9°(0.09), 40.2°(0.31), 41.2°(0.21), 43.8°(0.4), 45.5°(0.06), 50.9°(0.13), 52.6°(0.08), 56.3°(0.18), 57.9°(0.18), 60.5°(0.26), 61.1°(0.23), 65.2°(0.19), 66.6°(0.3)... | JVASP-85600 | 2.86 4.92 9.13
80 89 89
Al 0.693 0.837 0.948
Al 0.193 0.085 0.409
Al 0.693 0.634 0.229
Al 0.193 0.386 0.768
O 0.693 0.119 0.546
O 0.693 0.905 0.342
O 0.193 0.047 0.881
O 0.693 0.566 0.836
O 0.193 0.424 0.297
O 0.693 0.352 0.632 |
Below is a description of a material. | The chemical formula is: ScAgSe.
The XRD pattern shows main peaks at: 21.1°(0.23), 25.4°(0.84), 33.2°(0.14), 37.0°(0.9), 45.4°(1.0), 52.1°(0.1), 65.6°(0.29), 66.6°(0.14), 72.5°(0.22), 78.7°(0.09), 84.3°(0.15), 89.4°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-136438 | 4.86 4.86 3.51
90 90 120
Sc 0.333 0.667 0.000
Ag 0.000 0.000 0.000
Se 0.667 0.333 0.000 |
Below is a description of a material. | The chemical formula is: Li2YSn2.
The XRD pattern shows main peaks at: 14.1°(0.38), 22.1°(0.33), 28.5°(0.08), 29.8°(1.0), 30.0°(0.9), 33.1°(0.28), 41.8°(0.72), 42.6°(0.42), 45.1°(0.09), 52.0°(0.06), 53.0°(0.34), 59.0°(0.05), 61.2°(0.44), 61.8°(0.14), 67.4°(0.13), 70.1°(0.21), 75.4°(0.11), 77.5°(0.12).
Generate atomic s... | JVASP-188150 | 4.25 4.25 6.95
72 72 90
Y 0.000 0.000 -0.000
Sn 0.388 0.388 0.223
Sn 0.612 0.612 0.777
Li 0.750 0.250 0.500
Li 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: Sr2NCl.
The XRD pattern shows main peaks at: 12.6°(0.12), 25.3°(0.09), 26.9°(0.07), 27.9°(0.45), 31.6°(1.0), 34.1°(0.32), 38.4°(0.16), 40.2°(0.16), 43.6°(0.21), 46.8°(0.42), 54.0°(0.08), 55.2°(0.12), 57.5°(0.16), 62.1°(0.23), 63.7°(0.13), 77.2°(0.15).
Generate atomic structure description with ... | JVASP-118099 | 7.38 7.38 7.38
30 30 30
Sr 0.769 0.769 0.769
Sr 0.231 0.231 0.231
N 0.500 0.500 0.500
Cl 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Sr3CaSn4O12.
The XRD pattern shows main peaks at: 21.9°(0.18), 31.2°(1.0), 44.6°(0.36), 55.2°(0.2), 55.6°(0.32), 65.0°(0.15), 73.7°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-117194 | 8.11 5.71 5.78
90 90 90
Sr 0.000 0.006 0.964
Sr 0.500 0.509 0.534
Sr 0.500 0.990 0.040
Ca 0.000 0.489 0.451
Sn 0.248 0.500 0.998
Sn 0.753 0.999 0.501
Sn 0.752 0.500 0.998
Sn 0.247 0.999 0.501
O 0.000 0.900 0.518
O 0.000 0.577 0.041
O 0.198 0.298 0.703
O 0.793 0.212 0.213
O 0.708 0.711 0.287
O 0.802 0.298 0.703
O 0.292 ... |
Below is a description of a material. | The chemical formula is: Zr5Sb4.
The XRD pattern shows main peaks at: 30.0°(0.08), 34.4°(0.51), 35.1°(0.86), 36.3°(1.0), 45.3°(0.23), 51.4°(0.24), 56.1°(0.12), 62.2°(0.08), 63.8°(0.2), 73.5°(0.19).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-86296 | 8.85 8.85 5.97
90 90 120
Zr 0.282 0.282 0.750
Zr 0.667 0.333 0.000
Zr 0.333 0.667 0.000
Zr 0.000 0.718 0.750
Zr 0.667 0.333 0.500
Zr 0.282 0.000 0.250
Zr -0.000 0.282 0.250
Zr 0.718 0.000 0.750
Zr 0.718 0.718 0.250
Zr 0.333 0.667 0.500
Sb 0.000 0.388 0.750
Sb 0.000 0.000 0.500
Sb 0.612 0.612 0.750
Sb 0.388 0.000 0.750
... |
Below is a description of a material. | The chemical formula is: BaSiF6.
The XRD pattern shows main peaks at: 18.9°(0.27), 24.6°(1.0), 29.1°(0.58), 31.2°(0.08), 38.4°(0.23), 40.2°(0.55), 43.3°(0.09), 46.2°(0.62), 50.4°(0.12), 65.2°(0.1), 66.1°(0.21), 79.5°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-21069 | 4.79 4.79 4.79
98 98 98
Ba 0.500 0.500 0.500
Si 0.000 0.000 0.000
F 0.746 0.746 0.077
F 0.746 0.077 0.746
F 0.254 0.923 0.254
F 0.254 0.254 0.923
F 0.923 0.254 0.254
F 0.077 0.746 0.746 |
Below is a description of a material. | The chemical formula is: Ba4CoGe.
The XRD pattern shows main peaks at: 15.9°(0.34), 26.1°(0.11), 30.7°(1.0), 32.1°(0.63), 37.2°(0.16), 40.7°(0.1), 49.0°(0.35), 53.7°(0.33), 56.4°(0.07), 63.1°(0.12), 63.9°(0.24), 75.6°(0.21), 79.4°(0.05), 87.5°(0.06), 88.2°(0.05).
Generate atomic structure description with lattice lengt... | JVASP-63908 | 6.83 6.83 6.83
60 60 60
Ba 0.124 0.625 0.625
Ba 0.625 0.625 0.625
Ba 0.625 0.124 0.625
Ba 0.625 0.625 0.124
Co 0.250 0.250 0.250
Ge 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Tb3Au.
The XRD pattern shows main peaks at: 33.1°(1.0), 38.3°(0.5), 55.4°(0.36), 66.0°(0.46), 69.3°(0.12), 82.1°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-109306 | 4.69 4.69 4.69
90 90 90
Tb 0.000 0.500 0.500
Tb 0.500 0.000 0.500
Tb 0.500 0.500 0.000
Au 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: RbMgO.
The XRD pattern shows main peaks at: 11.1°(0.33), 22.2°(1.0), 24.8°(0.22), 31.6°(0.66), 33.6°(0.14), 38.9°(0.19), 40.6°(0.1), 45.3°(0.14), 46.7°(0.1), 51.0°(0.35), 52.3°(0.06), 56.2°(0.21), 62.4°(0.06), 66.0°(0.08), 70.5°(0.16), 74.9°(0.08), 79.3°(0.05), 87.8°(0.05).
Generate atomic stru... | JVASP-121226 | 4.01 4.01 8.00
90 90 90
Rb 0.000 0.000 0.068
Mg 0.000 0.000 0.553
O 0.000 0.000 0.776 |
Below is a description of a material. | The chemical formula is: Pr2Zn5Sn.
The XRD pattern shows main peaks at: 27.4°(0.1), 28.5°(0.36), 31.4°(0.06), 32.3°(1.0), 33.5°(0.65), 36.2°(0.39), 38.0°(0.31), 39.7°(0.2), 40.2°(0.51), 44.2°(0.28), 45.2°(0.1), 47.8°(0.13), 52.9°(0.08), 53.5°(0.15), 56.5°(0.19), 57.8°(0.12), 61.3°(0.16), 68.1°(0.11), 68.7°(0.2), 86.8°(... | JVASP-169819 | 4.49 8.63 9.09
90 90 105
Pr 0.794 0.589 0.250
Pr 0.206 0.411 0.750
Pr -0.000 -0.000 0.500
Pr -0.000 -0.000 -0.000
Zn 0.185 0.370 0.392
Zn 0.815 0.630 0.608
Zn 0.185 0.370 0.108
Zn 0.815 0.630 0.892
Zn 0.344 0.687 0.484
Zn 0.656 0.313 0.516
Zn 0.344 0.687 0.016
Zn 0.656 0.313 0.984
Zn 0.605 0.209 0.250
Zn 0.395 0.791 0.... |
Below is a description of a material. | The chemical formula is: Li6MnO6.
The XRD pattern shows main peaks at: 19.5°(1.0), 20.6°(0.15), 22.9°(0.61), 33.3°(0.11), 37.7°(0.07), 38.3°(0.39), 39.5°(0.06), 46.8°(0.08), 50.2°(0.08), 51.8°(0.11), 53.7°(0.26), 56.8°(0.15), 57.8°(0.08), 62.0°(0.08).
Generate atomic structure description with lattice lengths, angles, ... | JVASP-48258 | 5.38 5.39 5.39
62 62 62
Li 0.078 0.717 0.495
Li 0.505 0.922 0.283
Li 0.283 0.505 0.922
Li 0.717 0.495 0.078
Li 0.495 0.078 0.717
Li 0.922 0.283 0.505
Mn 0.000 0.000 0.000
O 0.202 0.905 0.651
O 0.349 0.798 0.095
O 0.095 0.349 0.798
O 0.905 0.651 0.202
O 0.651 0.202 0.905
O 0.798 0.095 0.349 |
Below is a description of a material. | The chemical formula is: NaBiSe2.
The XRD pattern shows main peaks at: 15.2°(0.49), 20.9°(0.5), 26.0°(0.08), 29.7°(1.0), 30.7°(0.43), 33.5°(0.28), 37.5°(0.22), 42.5°(0.38), 43.3°(0.7), 45.4°(0.14), 47.8°(0.12), 53.4°(0.38), 57.9°(0.13), 61.7°(0.13), 64.0°(0.1), 70.0°(0.16), 70.5°(0.17), 72.1°(0.22), 78.3°(0.24), 79.9°(... | JVASP-99403 | 4.25 4.25 5.82
90 90 90
Na 0.000 0.000 0.000
Bi 0.500 0.500 0.500
Se 0.000 0.000 0.500
Se 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: LiMn2O4.
The XRD pattern shows main peaks at: 18.9°(1.0), 36.7°(0.49), 38.4°(0.11), 44.6°(0.53), 59.1°(0.06), 65.0°(0.33), 82.3°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-34813 | 5.74 5.74 5.74
60 60 60
Li 0.125 0.125 0.125
Li 0.875 0.875 0.875
Mn 0.500 0.500 0.500
Mn 0.500 0.000 0.500
Mn 0.000 0.500 0.500
Mn 0.500 0.500 0.000
O 0.262 0.262 0.713
O 0.738 0.738 0.738
O 0.738 0.738 0.287
O 0.262 0.713 0.262
O 0.262 0.262 0.262
O 0.287 0.738 0.738
O 0.738 0.287 0.738
O 0.713 0.262 0.262 |
Below is a description of a material. | The chemical formula is: ThAlRh.
The XRD pattern shows main peaks at: 14.2°(0.16), 21.4°(0.29), 24.7°(0.36), 28.6°(0.35), 32.9°(0.9), 36.0°(1.0), 38.1°(0.24), 43.6°(0.32), 44.1°(0.19), 50.7°(0.1), 52.9°(0.34), 57.7°(0.34), 63.3°(0.11), 70.9°(0.2), 75.1°(0.12), 80.3°(0.12).
Generate atomic structure description with lat... | JVASP-169434 | 4.15 7.21 7.21
120 90 90
Th 0.500 0.582 0.000
Th 0.500 0.418 0.418
Th 0.500 1.000 0.582
Al -0.000 0.229 0.000
Al 0.000 0.771 0.771
Al -0.000 1.000 0.229
Rh 0.000 0.333 0.667
Rh -0.000 0.667 0.333
Rh 0.500 -0.000 -0.000 |
Below is a description of a material. | The chemical formula is: Sc2BeCu.
The XRD pattern shows main peaks at: 12.1°(0.3), 24.2°(0.1), 29.7°(0.23), 32.1°(0.48), 36.7°(0.25), 38.7°(1.0), 42.5°(0.56), 44.3°(0.06), 47.9°(0.24), 49.6°(0.07), 57.4°(0.25), 61.7°(0.15), 71.5°(0.13), 74.0°(0.1), 75.2°(0.24), 79.3°(0.07), 81.7°(0.08).
Generate atomic structure descri... | JVASP-71012 | 3.01 3.01 7.34
90 90 90
Sc 0.000 0.000 0.949
Sc 0.500 0.500 0.303
Be 0.000 0.000 0.555
Cu 0.500 0.500 0.693 |
Below is a description of a material. | The chemical formula is: LiGaO3.
The XRD pattern shows main peaks at: 24.8°(0.65), 35.4°(0.79), 43.7°(1.0), 50.9°(0.53), 57.4°(0.27), 63.5°(0.3), 74.9°(0.28), 80.3°(0.14), 85.6°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-184032 | 3.59 3.59 3.59
90 90 90
Li 0.500 0.500 0.500
Ga 0.000 0.000 0.000
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: HfGeB2.
The XRD pattern shows main peaks at: 25.4°(1.0), 29.5°(0.15), 42.1°(0.86), 49.9°(0.51), 61.1°(0.15), 67.3°(0.22), 69.3°(0.06), 77.0°(0.3), 82.7°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-51290 | 4.29 4.29 4.29
60 60 60
Hf 0.250 0.250 0.250
Ge 0.500 0.500 0.500
B 0.000 0.000 0.000
B 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: PaAs2.
The XRD pattern shows main peaks at: 21.7°(0.24), 24.6°(0.81), 31.4°(0.44), 32.8°(0.28), 33.3°(0.43), 38.5°(1.0), 39.9°(0.53), 45.1°(0.49), 46.1°(0.07), 49.9°(0.08), 50.5°(0.11), 52.0°(0.24), 56.8°(0.23), 61.0°(0.13), 61.7°(0.3), 65.7°(0.26), 74.6°(0.09), 75.3°(0.11), 78.8°(0.26), 79.6°(... | JVASP-16401 | 4.02 4.02 8.20
90 90 90
Pa 0.500 0.000 0.279
Pa 0.000 0.500 0.721
As 0.500 0.000 0.639
As 0.000 0.500 0.361
As 0.000 0.000 0.000
As 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: CrAsPt2.
The XRD pattern shows main peaks at: 24.7°(0.3), 40.9°(1.0), 48.4°(0.16), 59.3°(0.17), 65.2°(0.07), 74.5°(0.32), 79.9°(0.05), 88.7°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-75726 | 4.41 4.41 4.41
60 60 60
Cr 0.750 0.750 0.750
As 0.500 0.500 0.500
Pt 0.000 0.000 0.000
Pt 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: LiY2O2.
The XRD pattern shows main peaks at: 15.1°(0.62), 23.5°(0.54), 31.6°(0.38), 32.0°(1.0), 44.4°(0.22), 45.3°(0.27), 46.4°(0.06), 48.0°(0.11), 51.6°(0.13), 56.5°(0.41), 57.2°(0.25), 59.7°(0.07), 66.0°(0.07), 66.8°(0.09), 75.1°(0.09), 76.8°(0.07).
Generate atomic structure description with ... | JVASP-188149 | 4.01 4.01 6.52
72 72 90
Y 0.338 0.338 0.323
Y 0.662 0.662 0.677
O 0.750 0.250 0.500
O 0.250 0.750 0.500
Li -0.000 0.000 -0.000 |
Below is a description of a material. | The chemical formula is: VZnS.
The XRD pattern shows main peaks at: 26.4°(0.1), 36.8°(1.0), 46.6°(0.46), 51.8°(0.1), 60.8°(0.21), 72.2°(0.22), 79.9°(0.17), 86.5°(0.07), 87.8°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-185130 | 3.90 3.90 3.53
90 90 120
V 0.667 0.333 0.500
Zn -0.000 0.000 0.000
S 0.333 0.667 0.500 |
Below is a description of a material. | The chemical formula is: ZnCuGe2O6.
The XRD pattern shows main peaks at: 26.1°(0.12), 26.8°(0.23), 29.6°(1.0), 30.9°(0.21), 34.1°(0.6), 34.7°(0.46), 35.6°(0.34), 41.1°(0.17), 49.0°(0.07), 55.7°(0.23), 57.5°(0.13), 59.2°(0.08), 59.9°(0.14), 60.8°(0.1), 61.4°(0.25), 63.6°(0.23), 65.1°(0.08), 66.3°(0.07), 71.6°(0.08).
Gen... | JVASP-27668 | 5.20 6.77 6.77
86 79 79
Zn 0.750 0.265 0.735
Zn 0.250 0.735 0.265
Cu 0.750 0.905 0.095
Cu 0.250 0.095 0.905
Ge 0.787 0.393 0.207
Ge 0.713 0.793 0.607
Ge 0.213 0.607 0.793
Ge 0.287 0.207 0.393
O 0.623 0.977 0.796
O 0.877 0.204 0.023
O 0.615 0.625 0.137
O 0.885 0.863 0.375
O 0.385 0.375 0.863
O 0.911 0.573 0.708
O 0.089 ... |
Below is a description of a material. | The chemical formula is: Li2FeF4.
The XRD pattern shows main peaks at: 19.9°(0.22), 24.2°(1.0), 31.3°(0.16), 37.6°(0.19), 40.5°(0.31), 44.9°(0.45), 49.5°(0.07), 51.6°(0.22), 56.5°(0.11), 62.0°(0.27), 65.3°(0.12), 79.8°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types... | JVASP-42426 | 4.04 5.29 5.71
89 134 112
Li 0.996 0.500 0.748
Li 0.996 0.500 0.248
Fe 0.996 0.000 0.998
F 0.522 0.526 0.761
F 0.470 0.474 0.235
F 0.496 1.000 0.498
F 0.496 0.000 0.998 |
Below is a description of a material. | The chemical formula is: Ba3CoN3.
The XRD pattern shows main peaks at: 22.2°(0.17), 25.7°(0.14), 27.3°(1.0), 30.3°(0.87), 31.8°(0.53), 34.2°(0.53), 39.0°(0.18), 47.4°(0.43), 50.2°(0.21), 51.1°(0.15), 54.0°(0.16), 55.7°(0.16), 60.5°(0.23), 66.4°(0.06), 69.9°(0.14), 78.9°(0.11).
Generate atomic structure description with... | JVASP-139951 | 8.00 8.00 5.63
90 90 120
Ba 0.913 0.636 0.250
Ba 0.724 0.087 0.250
Ba 0.364 0.276 0.250
Ba 0.087 0.364 0.750
Ba 0.276 0.913 0.750
Ba 0.636 0.724 0.750
Co 0.667 0.333 0.750
Co 0.333 0.667 0.250
N 0.876 0.561 0.750
N 0.685 0.124 0.750
N 0.439 0.315 0.750
N 0.124 0.439 0.250
N 0.315 0.876 0.250
N 0.561 0.685 0.250 |
Below is a description of a material. | The chemical formula is: Rb2NaAuF6.
The XRD pattern shows main peaks at: 17.6°(0.59), 20.4°(0.07), 28.9°(1.0), 34.1°(0.34), 41.4°(0.44), 45.3°(0.12), 51.3°(0.47), 60.0°(0.27), 68.0°(0.19).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-106924 | 6.17 6.17 6.17
60 60 60
Rb 0.750 0.750 0.750
Rb 0.250 0.250 0.250
Na 0.500 0.500 0.500
Au 0.000 0.000 0.000
F 0.755 0.245 0.245
F 0.245 0.245 0.755
F 0.245 0.755 0.755
F 0.245 0.755 0.245
F 0.755 0.245 0.755
F 0.755 0.755 0.245 |
Below is a description of a material. | The chemical formula is: Mg6CrMo.
The XRD pattern shows main peaks at: 16.4°(0.52), 17.7°(0.11), 18.3°(0.29), 24.7°(0.24), 25.6°(0.1), 31.5°(0.08), 33.1°(0.12), 35.7°(0.39), 36.7°(0.1), 37.2°(0.48), 38.1°(0.71), 40.5°(1.0), 50.3°(0.11), 52.5°(0.26), 60.9°(0.18), 67.7°(0.13), 69.3°(0.18), 73.6°(0.2), 78.1°(0.1), 78.7°(0... | JVASP-92876 | 6.10 5.67 4.84
90 90 117
Mg 0.650 0.325 0.250
Mg 0.650 0.825 0.250
Mg 0.329 0.163 0.750
Mg 0.329 0.666 0.750
Mg 0.874 0.187 0.750
Mg 0.863 0.681 0.750
Cr 0.157 0.328 0.250
Mo 0.148 0.824 0.250 |
Below is a description of a material. | The chemical formula is: ScAu3.
The XRD pattern shows main peaks at: 21.1°(0.17), 30.0°(0.15), 37.0°(1.0), 43.0°(0.46), 48.3°(0.08), 53.3°(0.07), 62.4°(0.33), 74.8°(0.39), 78.7°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-126927 | 4.21 4.21 4.21
90 90 90
Sc 0.000 0.000 0.000
Au 0.000 0.500 0.500
Au 0.500 0.000 0.500
Au 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: YbAc3.
The XRD pattern shows main peaks at: 27.9°(1.0), 32.3°(0.47), 46.4°(0.39), 55.0°(0.47), 57.7°(0.14), 67.7°(0.06), 74.8°(0.18), 77.0°(0.16), 86.0°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-100946 | 5.54 5.54 5.54
90 90 90
Yb 0.000 0.000 0.000
Ac 0.000 0.500 0.500
Ac 0.500 0.000 0.500
Ac 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: Ti2NbNi.
The XRD pattern shows main peaks at: 28.6°(0.08), 40.7°(1.0), 58.5°(0.07), 59.1°(0.14), 73.8°(0.13), 74.2°(0.27), 88.0°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-191081 | 3.12 3.12 6.31
90 90 90
Ni 0.500 0.500 0.000
Nb 0.500 0.500 0.500
Ti -0.000 -0.000 0.767
Ti 0.000 0.000 0.233 |
Below is a description of a material. | The chemical formula is: BeTe2Ru.
The XRD pattern shows main peaks at: 11.3°(0.22), 22.7°(0.27), 27.8°(0.12), 30.0°(1.0), 34.3°(0.18), 36.1°(0.44), 39.7°(0.59), 44.7°(0.65), 46.2°(0.18), 53.4°(0.2), 57.3°(0.22), 62.6°(0.13), 66.1°(0.22), 68.6°(0.09), 69.7°(0.13), 73.4°(0.11), 75.5°(0.27), 76.7°(0.06), 85.4°(0.07), 86.8... | JVASP-71379 | 3.21 3.21 7.84
90 90 90
Be 0.000 0.000 0.573
Te 0.000 0.000 0.908
Te 0.500 0.500 0.339
Ru 0.500 0.500 0.680 |
Below is a description of a material. | The chemical formula is: V3O5F.
The XRD pattern shows main peaks at: 26.9°(1.0), 27.9°(1.0), 36.5°(0.94), 39.1°(0.11), 41.3°(0.21), 42.0°(0.2), 43.3°(0.09), 54.0°(0.56), 55.2°(0.57), 57.7°(0.19), 63.2°(0.08), 64.8°(0.08), 69.2°(0.38), 84.1°(0.06).
Generate atomic structure description with lattice lengths, angles, coor... | JVASP-139817 | 4.61 4.61 8.73
90 90 92
V 0.988 0.012 0.653
V 0.988 0.012 0.347
V 0.983 0.017 0.000
V 0.487 0.513 0.500
V 0.525 0.475 0.831
V 0.525 0.475 0.169
O 0.198 0.802 0.500
O 0.703 0.696 0.000
O 0.701 0.702 0.331
O 0.701 0.702 0.669
O 0.304 0.297 0.000
O 0.805 0.195 0.832
O 0.298 0.299 0.669
O 0.805 0.195 0.168
O 0.791 0.209 0.... |
Below is a description of a material. | The chemical formula is: YNiF5.
The XRD pattern shows main peaks at: 22.0°(0.85), 24.0°(0.07), 25.0°(1.0), 26.1°(0.67), 33.5°(0.23), 34.3°(0.2), 43.4°(0.26), 44.8°(0.25), 45.4°(0.35), 49.2°(0.19), 51.0°(0.2), 51.4°(0.19), 52.0°(0.25), 52.6°(0.15), 53.6°(0.09), 64.2°(0.14), 65.7°(0.18), 71.4°(0.08).
Generate atomic stru... | JVASP-8384 | 4.17 5.69 5.69
73 68 68
Y 0.500 0.500 0.500
Ni 0.000 0.000 0.000
F 0.500 0.819 0.181
F 0.500 0.181 0.819
F 0.771 0.229 0.229
F 0.229 0.771 0.771
F 0.000 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Be2NbPt.
The XRD pattern shows main peaks at: 13.9°(0.83), 27.9°(0.21), 32.0°(0.1), 35.0°(1.0), 42.4°(0.2), 43.0°(0.65), 45.9°(0.36), 48.2°(0.17), 54.6°(0.14), 64.3°(0.24), 66.9°(0.1), 67.5°(0.16), 68.7°(0.05), 74.0°(0.05), 77.9°(0.19), 82.5°(0.11), 83.0°(0.22).
Generate atomic structure descri... | JVASP-67220 | 2.80 2.80 6.39
90 90 90
Be 0.000 0.000 0.021
Be 0.500 0.500 0.198
Nb 0.000 0.000 0.472
Pt 0.500 0.500 0.809 |
Below is a description of a material. | The chemical formula is: Na2ZrS3.
The XRD pattern shows main peaks at: 13.5°(0.39), 15.3°(0.07), 16.0°(0.12), 17.8°(0.1), 20.5°(0.07), 27.1°(0.11), 32.5°(1.0), 42.1°(0.09), 45.9°(0.3), 47.3°(0.3), 49.4°(0.07), 56.2°(0.06), 58.5°(0.15), 68.0°(0.07), 76.4°(0.07), 78.4°(0.11), 86.9°(0.06).
Generate atomic structure descri... | JVASP-171508 | 6.66 6.66 6.92
80 71 60
Na 0.342 0.316 0.500
Na 0.658 0.684 0.500
Na 0.500 -0.000 0.000
Na 0.000 -0.000 0.500
Zr 0.168 0.663 0.000
Zr 0.832 0.337 -0.000
S 0.216 0.000 0.777
S 0.784 -0.000 0.223
S 0.575 0.360 0.776
S 0.425 0.640 0.224
S 0.065 0.360 0.224
S 0.935 0.640 0.776 |
Below is a description of a material. | The chemical formula is: LiVF3.
The XRD pattern shows main peaks at: 23.1°(0.71), 23.8°(1.0), 33.4°(0.63), 35.7°(0.22), 38.1°(0.28), 39.0°(0.32), 39.9°(0.13), 41.5°(0.17), 42.7°(0.15), 44.8°(0.17), 47.2°(0.15), 48.6°(0.27), 53.5°(0.35), 54.5°(0.36), 55.0°(0.13), 59.3°(0.16), 60.0°(0.34), 60.5°(0.38), 70.1°(0.12), 86.1°... | JVASP-48941 | 5.27 5.32 7.70
90 90 90
Li 0.018 0.021 0.250
Li 0.518 0.479 0.750
Li 0.482 0.521 0.250
Li 0.982 0.979 0.750
V 0.500 0.000 0.000
V 0.500 0.000 0.500
V 0.000 0.500 0.000
V 0.000 0.500 0.500
F 0.840 0.838 0.076
F 0.340 0.662 0.576
F 0.340 0.662 0.924
F 0.866 0.607 0.750
F 0.134 0.393 0.250
F 0.160 0.162 0.576
F 0.660 0.33... |
Below is a description of a material. | The chemical formula is: Ba3Sm.
The XRD pattern shows main peaks at: 24.7°(0.23), 26.9°(0.23), 28.2°(1.0), 36.8°(0.16), 43.5°(0.2), 48.3°(0.21), 51.9°(0.24), 52.7°(0.16), 67.0°(0.08), 72.9°(0.09), 76.5°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-110751 | 8.32 8.32 6.64
90 90 120
Ba 0.828 0.172 0.750
Ba 0.343 0.172 0.750
Ba 0.828 0.657 0.750
Ba 0.172 0.828 0.250
Ba 0.657 0.828 0.250
Ba 0.172 0.343 0.250
Sm 0.667 0.333 0.250
Sm 0.333 0.667 0.750 |
Below is a description of a material. | The chemical formula is: Y2Br.
The XRD pattern shows main peaks at: 30.4°(1.0), 37.5°(0.71), 49.0°(0.26), 58.8°(0.25), 63.3°(0.32), 80.0°(0.14), 84.0°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-185239 | 8.09 3.72 3.72
60 76 62
Y 0.316 0.110 0.603
Y 0.681 0.079 -0.064
Br -0.001 0.095 0.269 |
Below is a description of a material. | The chemical formula is: KCoO2.
The XRD pattern shows main peaks at: 14.4°(0.21), 16.6°(0.68), 29.0°(0.62), 30.1°(0.87), 31.8°(1.0), 35.6°(0.22), 42.3°(0.77), 43.6°(0.83), 54.5°(0.13), 56.4°(0.2), 57.7°(0.2), 62.5°(0.15), 62.9°(0.2), 65.8°(0.09), 66.3°(0.09), 74.1°(0.13).
Generate atomic structure description with latt... | JVASP-119519 | 6.39 5.95 7.01
65 76 90
K 0.817 0.634 0.732
K 0.317 0.634 0.732
K 0.183 0.366 0.268
K 0.683 0.366 0.268
Co 0.949 0.899 0.203
Co 0.551 0.101 0.797
Co 0.449 0.899 0.203
Co 0.051 0.101 0.797
O 0.000 0.238 0.000
O 0.500 0.238 0.000
O -0.000 0.762 1.000
O 0.500 0.762 1.000
O 0.841 0.181 0.637
O 0.341 0.181 0.637
O 0.159 0.8... |
Below is a description of a material. | The chemical formula is: YAlS.
The XRD pattern shows main peaks at: 11.6°(0.33), 23.2°(0.15), 24.9°(1.0), 27.5°(0.21), 34.3°(0.22), 35.5°(0.37), 37.4°(0.09), 42.8°(0.11), 43.5°(0.31), 50.8°(0.22), 54.3°(0.05), 56.8°(0.05), 57.6°(0.18), 62.9°(0.07), 63.5°(0.11), 69.3°(0.16), 85.8°(0.06).
Generate atomic structure descri... | JVASP-139497 | 3.58 3.58 7.66
90 90 90
Y 0.000 0.000 0.686
Al 0.000 0.000 0.290
S 0.000 0.000 0.008 |
Below is a description of a material. | The chemical formula is: ZnPPd2.
The XRD pattern shows main peaks at: 17.1°(0.15), 31.4°(0.32), 34.6°(0.13), 37.3°(1.0), 41.3°(0.07), 43.9°(0.98), 51.8°(0.17), 53.8°(0.32), 63.6°(0.09), 65.6°(0.07), 66.6°(0.05), 71.8°(0.4), 79.1°(0.14), 79.5°(0.1), 85.0°(0.06).
Generate atomic structure description with lattice lengths... | JVASP-184757 | 3.41 3.41 5.18
90 90 90
Zn 0.500 0.500 0.590
P -0.000 0.000 0.927
Pd -0.000 -0.000 0.409
Pd 0.500 0.500 0.084 |
Below is a description of a material. | The chemical formula is: Be2CoSi.
The XRD pattern shows main peaks at: 26.3°(0.1), 29.7°(1.0), 37.9°(0.08), 46.8°(0.72), 48.6°(0.24), 54.2°(0.12), 54.7°(0.24), 63.5°(0.21), 76.2°(0.11), 80.6°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-69724 | 4.13 4.13 4.13
132 132 70
Be 0.000 0.000 0.000
Be 0.250 0.750 0.500
Co 0.500 0.500 0.000
Si 0.750 0.250 0.500 |
Below is a description of a material. | The chemical formula is: NbZn3Ga3.
The XRD pattern shows main peaks at: 19.0°(0.09), 19.8°(0.21), 38.5°(0.41), 40.2°(1.0), 46.3°(0.7), 66.4°(0.22), 68.7°(0.2), 79.4°(0.12), 81.6°(0.22), 82.7°(0.12), 86.9°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-105434 | 5.64 5.64 5.64
57 57 57
Nb 0.000 0.000 0.000
Zn -0.000 -0.000 0.500
Zn 0.500 0.000 -0.000
Zn 0.000 0.500 0.000
Ga 0.500 0.500 -0.000
Ga 0.000 0.500 0.500
Ga 0.500 0.000 0.500 |
Below is a description of a material. | The chemical formula is: MnAlCu2.
The XRD pattern shows main peaks at: 30.2°(0.08), 43.2°(1.0), 62.7°(0.16), 79.2°(0.29).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-79355 | 4.19 4.19 4.19
60 60 60
Mn 0.500 0.500 0.500
Al 0.000 0.000 0.000
Cu 0.250 0.250 0.250
Cu 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: ZrB.
The XRD pattern shows main peaks at: 31.5°(1.0), 36.5°(0.67), 52.6°(0.46), 62.6°(0.39), 65.8°(0.14), 77.6°(0.07), 89.0°(0.21).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-14727 | 3.48 3.48 3.48
60 60 60
Zr 0.500 0.500 0.500
B 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: CaBe2Cr.
The XRD pattern shows main peaks at: 14.1°(0.14), 28.4°(0.6), 29.2°(0.9), 41.1°(1.0), 41.7°(0.58), 51.2°(0.41), 58.7°(0.07), 60.5°(0.16), 66.9°(0.22), 68.1°(0.16), 68.5°(0.13), 74.6°(0.12), 75.7°(0.27), 89.3°(0.07).
Generate atomic structure description with lattice lengths, angles, co... | JVASP-68491 | 3.06 3.06 6.29
90 90 90
Ca 0.500 0.500 0.000
Be 0.000 0.000 0.670
Be 0.000 0.000 0.330
Cr 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Tc2RuRh.
The XRD pattern shows main peaks at: 40.7°(1.0), 47.0°(0.16), 47.5°(0.31), 69.0°(0.18), 69.5°(0.1), 83.8°(0.22), 88.1°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-188847 | 2.71 2.71 7.74
90 90 90
Rh 0.500 0.500 0.250
Ru 0.500 0.500 0.750
Tc -0.000 0.000 0.997
Tc 0.000 -0.000 0.503 |
Below is a description of a material. | The chemical formula is: Pr2CuAu.
The XRD pattern shows main peaks at: 20.9°(0.12), 34.5°(1.0), 40.7°(0.07), 49.6°(0.18), 61.8°(0.36), 72.8°(0.1), 83.1°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-157250 | 5.20 5.20 5.20
60 60 60
Pr 0.000 0.000 0.000
Pr 0.500 0.500 0.500
Cu 0.750 0.750 0.750
Au 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: YWN3.
The XRD pattern shows main peaks at: 22.3°(0.4), 31.4°(1.0), 32.0°(0.96), 45.5°(0.44), 50.8°(0.12), 51.6°(0.09), 55.5°(0.2), 56.7°(0.38), 57.1°(0.18), 65.5°(0.12), 66.9°(0.14), 74.8°(0.16), 75.8°(0.16), 84.7°(0.07).
Generate atomic structure description with lattice lengths, angles, coord... | JVASP-113705 | 3.99 3.99 3.99
88 88 88
Y 0.976 0.976 0.976
W 0.446 0.446 0.446
N 0.394 0.913 0.394
N 0.913 0.394 0.394
N 0.394 0.394 0.913 |
Below is a description of a material. | The chemical formula is: NdNi2B2C.
The XRD pattern shows main peaks at: 25.6°(0.6), 36.2°(0.41), 38.7°(1.0), 49.0°(0.3), 52.1°(0.11), 62.4°(0.21), 66.6°(0.2), 71.8°(0.09), 83.1°(0.1), 84.7°(0.19).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-15672 | 3.72 3.72 5.63
109 109 90
Nd 0.000 0.000 0.000
Ni 0.250 0.750 0.500
Ni 0.750 0.250 0.500
B 0.351 0.351 0.701
B 0.649 0.649 0.299
C 0.500 0.500 -0.000 |
Below is a description of a material. | The chemical formula is: LiSO4.
The XRD pattern shows main peaks at: 19.7°(0.61), 20.2°(0.43), 22.5°(1.0), 28.3°(0.1), 35.3°(0.09), 36.2°(0.06), 36.7°(0.19), 39.9°(0.07), 40.7°(0.05), 42.2°(0.07), 46.8°(0.08), 55.0°(0.07), 56.2°(0.07), 63.3°(0.07).
Generate atomic structure description with lattice lengths, angles, coo... | JVASP-116614 | 5.09 5.09 9.03
90 90 120
Li 0.667 0.333 0.172
Li 0.333 0.667 0.672
S 0.667 0.333 0.798
S 0.333 0.667 0.298
O 0.950 0.351 0.745
O 0.401 0.050 0.745
O 0.050 0.649 0.245
O 0.649 0.599 0.745
O 0.599 0.950 0.245
O 0.351 0.401 0.245
O 0.667 0.333 0.962
O 0.333 0.667 0.462 |
Below is a description of a material. | The chemical formula is: LiCoGeO4.
The XRD pattern shows main peaks at: 15.8°(0.52), 23.7°(1.0), 28.7°(0.33), 31.9°(0.15), 32.9°(0.32), 35.5°(0.28), 36.6°(0.18), 37.5°(0.34), 39.0°(0.06), 46.2°(0.15), 47.1°(0.24), 48.6°(0.08), 49.1°(0.1), 57.0°(0.09), 57.5°(0.17), 59.3°(0.09), 65.0°(0.18), 69.4°(0.14), 72.0°(0.1), 76.8... | JVASP-42938 | 5.06 5.61 8.03
90 129 90
Li 0.747 0.663 0.751
Li 0.747 0.337 0.251
Co 0.992 0.177 0.997
Co 0.992 0.823 0.497
Ge 0.501 0.842 0.001
Ge 0.501 0.158 0.501
O 0.832 0.867 0.981
O 0.384 0.135 0.022
O 0.139 0.704 0.762
O 0.659 0.328 0.736
O 0.384 0.865 0.522
O 0.832 0.133 0.481
O 0.139 0.296 0.262
O 0.659 0.672 0.236 |
Below is a description of a material. | The chemical formula is: KLiICl.
The XRD pattern shows main peaks at: 13.2°(0.2), 20.8°(0.85), 24.8°(0.93), 26.6°(0.7), 29.6°(1.0), 34.0°(0.49), 40.2°(0.79), 42.4°(0.38), 45.9°(0.18), 47.7°(0.2), 49.7°(0.29), 50.8°(0.41), 55.5°(0.23), 61.5°(0.11), 63.5°(0.19), 64.2°(0.13), 68.2°(0.16), 69.8°(0.15), 71.7°(0.14), 76.1°(0... | JVASP-35212 | 4.26 4.26 6.70
90 90 90
K 0.500 0.500 0.500
Li 0.000 0.000 0.000
I 0.500 0.500 0.000
Cl 0.000 0.000 0.500 |
Below is a description of a material. | The chemical formula is: CeAsRuO.
The XRD pattern shows main peaks at: 11.0°(0.12), 24.3°(0.08), 31.2°(1.0), 32.8°(0.37), 33.5°(0.09), 38.3°(0.5), 44.1°(0.53), 50.7°(0.11), 55.0°(0.4), 55.7°(0.34), 56.5°(0.09), 64.1°(0.17), 69.4°(0.09), 73.0°(0.08), 73.9°(0.07), 77.2°(0.12), 89.4°(0.11).
Generate atomic structure descr... | JVASP-90836 | 4.11 4.11 8.01
90 90 90
Ce 0.750 0.750 0.854
Ce 0.250 0.250 0.146
As 0.750 0.750 0.336
As 0.250 0.250 0.664
Ru 0.750 0.250 0.500
Ru 0.250 0.750 0.500
O 0.750 0.250 0.000
O 0.250 0.750 0.000 |
Below is a description of a material. | The chemical formula is: Ba4CdCu.
The XRD pattern shows main peaks at: 14.9°(0.19), 24.5°(0.16), 28.8°(1.0), 30.1°(0.54), 34.9°(0.11), 38.1°(0.05), 43.1°(0.07), 45.8°(0.36), 50.2°(0.32), 58.9°(0.12), 59.6°(0.23), 70.3°(0.22), 73.7°(0.05), 80.9°(0.07).
Generate atomic structure description with lattice lengths, angles, ... | JVASP-64870 | 7.28 7.28 7.28
60 60 60
Ba 0.125 0.625 0.625
Ba 0.625 0.625 0.625
Ba 0.625 0.125 0.625
Ba 0.625 0.625 0.125
Cd 0.250 0.250 0.250
Cu 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: CoGe.
The XRD pattern shows main peaks at: 35.5°(0.33), 44.2°(1.0), 52.2°(0.14), 63.8°(0.21), 64.7°(0.11), 80.8°(0.15), 86.8°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-129156 | 2.92 2.92 3.51
90 90 119
Co 0.667 0.333 0.750
Ge 0.333 0.667 0.250 |
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