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: KLaS2.
The XRD pattern shows main peaks at: 12.2°(0.57), 24.4°(0.33), 25.4°(0.32), 29.2°(1.0), 37.7°(0.16), 41.1°(0.38), 42.3°(0.39), 50.2°(0.06), 52.2°(0.2), 60.4°(0.11), 69.3°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-79772 | 7.68 7.68 7.68
32 32 32
K 0.500 0.500 0.500
La 0.000 0.000 0.000
S 0.737 0.737 0.737
S 0.263 0.263 0.263 |
Below is a description of a material. | The chemical formula is: SrF2.
The XRD pattern shows main peaks at: 26.5°(1.0), 30.7°(0.15), 44.0°(0.79), 52.2°(0.47), 54.7°(0.05), 64.0°(0.12), 70.6°(0.21), 72.7°(0.08), 81.0°(0.25), 87.1°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-78811 | 4.11 4.11 4.11
60 60 60
Sr 0.000 0.000 0.000
F 0.250 0.250 0.250
F 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: U3V.
The XRD pattern shows main peaks at: 16.1°(0.19), 18.2°(0.21), 24.4°(0.29), 32.6°(0.14), 35.7°(0.97), 36.9°(0.65), 37.5°(1.0), 40.3°(0.72), 49.9°(0.16), 52.2°(0.61), 63.4°(0.5), 66.0°(0.12), 66.9°(0.2), 68.8°(0.15), 71.2°(0.08), 78.1°(0.16), 78.5°(0.35), 80.1°(0.08), 87.2°(0.25), 89.3°(0.1... | JVASP-123541 | 2.83 5.50 4.88
90 90 90
U 0.500 0.396 0.250
U 0.500 0.602 0.750
U 0.000 0.916 0.250
V 0.000 0.086 0.750 |
Below is a description of a material. | The chemical formula is: Al2InGe2.
The XRD pattern shows main peaks at: 17.4°(0.07), 27.4°(0.56), 32.7°(1.0), 39.1°(0.51), 45.2°(0.05), 48.9°(0.27), 51.9°(0.42), 56.5°(0.17), 61.6°(0.07), 63.9°(0.1), 64.3°(0.23), 66.8°(0.2), 77.9°(0.06), 80.2°(0.1), 81.1°(0.05), 84.0°(0.05), 87.6°(0.09), 88.4°(0.05).
Generate atomic st... | JVASP-155763 | 6.04 6.04 6.04
135 135 65
Al 0.750 0.250 0.500
Al 0.250 0.750 0.500
In 0.000 0.000 0.000
Ge 0.376 0.376 0.000
Ge 0.624 0.624 -0.000 |
Below is a description of a material. | The chemical formula is: RbHO.
The XRD pattern shows main peaks at: 23.0°(0.29), 26.9°(0.61), 31.5°(1.0), 32.9°(0.54), 39.5°(0.34), 43.2°(0.18), 43.7°(0.17), 49.5°(0.09), 52.4°(0.24), 55.4°(0.33), 55.9°(0.12), 63.2°(0.1), 64.1°(0.08), 71.9°(0.08), 73.1°(0.16), 80.5°(0.09), 86.1°(0.06), 87.4°(0.06).
Generate atomic stru... | JVASP-51017 | 4.14 4.19 5.80
90 110 90
Rb 0.140 0.761 0.279
Rb 0.860 0.261 0.721
H 0.467 0.899 0.935
H 0.533 0.399 0.065
O 0.400 0.738 0.802
O 0.600 0.238 0.198 |
Below is a description of a material. | The chemical formula is: SmThCN.
The XRD pattern shows main peaks at: 14.8°(0.07), 29.5°(1.0), 34.3°(0.88), 49.1°(0.31), 49.5°(0.29), 58.5°(0.33), 61.2°(0.16), 61.9°(0.05), 72.2°(0.09), 82.2°(0.14), 82.8°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-109690 | 6.37 6.37 6.37
33 33 33
Sm 0.750 0.750 0.750
Th 0.249 0.249 0.249
C 0.997 0.997 0.997
N 0.504 0.504 0.504 |
Below is a description of a material. | The chemical formula is: Sc2InPd2.
The XRD pattern shows main peaks at: 26.5°(0.32), 33.6°(0.1), 35.8°(0.18), 37.7°(1.0), 43.2°(0.12), 46.7°(0.26), 51.4°(0.1), 54.7°(0.09), 68.3°(0.16), 69.4°(0.1), 70.6°(0.06), 73.1°(0.09), 76.9°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-141963 | 7.55 7.55 6.72
90 90 90
Sc 0.162 0.162 0.000
Sc 0.838 0.838 0.000
Sc 0.662 0.338 0.500
Sc 0.338 0.662 0.500
Sc 0.676 0.324 0.000
Sc 0.324 0.676 0.000
Sc 0.824 0.824 0.500
Sc 0.176 0.176 0.500
In 0.000 0.500 0.750
In 0.000 0.500 0.250
In 0.500 0.000 0.750
In 0.500 0.000 0.250
Pd 0.370 0.370 0.237
Pd 0.630 0.630 0.763
Pd... |
Below is a description of a material. | The chemical formula is: KUSiO7.
The XRD pattern shows main peaks at: 13.3°(1.0), 16.6°(0.27), 18.5°(0.35), 20.8°(0.15), 24.8°(0.32), 25.1°(0.31), 26.9°(0.32), 28.5°(0.44), 30.2°(0.82), 35.9°(0.22), 37.1°(0.12), 40.6°(0.17), 41.7°(0.09), 44.0°(0.05), 45.4°(0.16), 47.5°(0.3), 48.3°(0.1), 51.6°(0.19), 53.5°(0.13).
Genera... | JVASP-133253 | 7.09 6.71 6.86
75 90 90
K 0.051 0.805 0.563
K 0.551 0.195 0.437
U 0.731 0.862 0.025
U 0.231 0.138 0.975
Si 0.730 0.350 0.935
Si 0.230 0.650 0.065
O 0.727 0.463 0.677
O 0.227 0.537 0.323
O 0.229 0.478 0.940
O 0.729 0.522 0.060
O 0.055 0.813 0.011
O 0.555 0.187 0.989
O 0.725 0.907 0.749
O 0.410 0.805 0.042
O 0.053 0.458 ... |
Below is a description of a material. | The chemical formula is: ZnCo4O8.
The XRD pattern shows main peaks at: 18.3°(0.95), 19.2°(0.28), 22.0°(0.17), 37.0°(0.13), 37.4°(0.23), 39.0°(0.31), 44.8°(1.0), 58.3°(0.13), 63.9°(0.24), 66.5°(0.28), 83.8°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-137764 | 5.84 5.84 5.84
57 57 57
Zn 0.500 0.500 0.500
Co -0.000 0.500 0.500
Co 0.500 -0.000 0.500
Co 0.500 0.500 0.000
Co 0.000 0.000 0.000
O 0.271 0.762 0.762
O 0.238 0.238 0.729
O 0.729 0.238 0.238
O 0.238 0.729 0.238
O 0.269 0.269 0.269
O 0.731 0.731 0.731
O 0.762 0.271 0.762
O 0.762 0.762 0.271 |
Below is a description of a material. | The chemical formula is: UAs2.
The XRD pattern shows main peaks at: 22.6°(0.54), 24.7°(0.38), 25.0°(0.22), 27.7°(0.35), 31.1°(0.31), 34.1°(0.64), 35.4°(0.54), 36.7°(0.14), 38.1°(0.18), 38.9°(1.0), 42.6°(0.31), 45.7°(0.11), 46.5°(0.29), 48.0°(0.14), 52.3°(0.24), 57.0°(0.11), 60.3°(0.21), 64.9°(0.19), 73.6°(0.21), 81.1°(... | JVASP-111409 | 3.91 7.12 9.44
90 90 90
U 0.250 0.207 0.649
U 0.250 0.707 0.851
U 0.750 0.793 0.351
U 0.750 0.293 0.149
As 0.250 0.107 0.953
As 0.250 0.607 0.547
As 0.750 0.893 0.047
As 0.750 0.393 0.453
As 0.250 0.094 0.332
As 0.250 0.594 0.168
As 0.750 0.906 0.668
As 0.750 0.406 0.832 |
Below is a description of a material. | The chemical formula is: NaZrBe.
The XRD pattern shows main peaks at: 11.1°(1.0), 22.3°(0.33), 33.8°(0.16), 35.2°(0.21), 37.0°(0.71), 42.1°(0.37), 49.6°(0.21), 58.9°(0.15), 63.1°(0.09), 64.3°(0.06), 67.8°(0.09), 69.6°(0.07), 73.5°(0.09), 75.4°(0.07).
Generate atomic structure description with lattice lengths, angles, c... | JVASP-71664 | 2.95 2.95 7.96
90 90 119
Na 0.667 0.333 0.308
Zr 0.333 0.667 0.707
Be 0.000 0.000 0.984 |
Below is a description of a material. | The chemical formula is: K2UO4.
The XRD pattern shows main peaks at: 13.3°(1.0), 21.5°(0.98), 26.8°(0.1), 28.8°(0.97), 29.1°(0.63), 32.1°(0.24), 39.7°(0.27), 40.6°(0.17), 41.6°(0.31), 43.9°(0.22), 50.7°(0.22), 51.4°(0.42), 59.6°(0.2), 60.4°(0.1).
Generate atomic structure description with lattice lengths, angles, coord... | JVASP-86427 | 4.34 4.34 7.34
107 107 90
K 0.347 0.347 0.694
K 0.653 0.653 0.306
U 0.000 0.000 0.000
O 0.500 -0.000 -0.000
O 0.000 0.500 0.000
O 0.853 0.853 0.706
O 0.147 0.147 0.294 |
Below is a description of a material. | The chemical formula is: NbSBr.
The XRD pattern shows main peaks at: 10.5°(0.7), 28.0°(1.0), 30.0°(0.24), 31.9°(0.22), 40.0°(0.37), 41.5°(0.1), 42.9°(0.47), 52.0°(0.41), 57.9°(0.11), 60.1°(0.13), 65.5°(0.16), 67.6°(0.1), 74.7°(0.21), 81.5°(0.11).
Generate atomic structure description with lattice lengths, angles, coord... | JVASP-136124 | 3.19 3.19 8.42
90 90 90
Nb 0.000 0.000 0.692
S 0.000 0.000 -0.043
Br 0.000 0.000 0.394 |
Below is a description of a material. | The chemical formula is: SnI2.
The XRD pattern shows main peaks at: 14.0°(0.27), 19.5°(0.27), 24.1°(0.44), 27.6°(1.0), 28.3°(0.51), 31.1°(0.14), 34.5°(0.16), 39.5°(0.41), 39.9°(0.54), 47.6°(0.14), 49.2°(0.26), 57.2°(0.08), 64.7°(0.1), 71.8°(0.16).
Generate atomic structure description with lattice lengths, angles, coor... | JVASP-135201 | 8.98 4.56 11.05
145 35 120
Sn 0.511 -0.117 -0.089
I 0.012 0.729 0.335
I 0.513 0.774 0.358 |
Below is a description of a material. | The chemical formula is: SnICl.
The XRD pattern shows main peaks at: 17.4°(0.12), 20.3°(0.16), 20.8°(0.11), 22.6°(0.23), 28.8°(1.0), 30.5°(0.45), 32.7°(0.26), 35.0°(0.23), 41.0°(0.22), 41.4°(0.25), 42.3°(0.16), 46.4°(0.1), 47.3°(0.07), 48.2°(0.26), 49.6°(0.08), 53.4°(0.12), 54.1°(0.07), 59.7°(0.17), 66.2°(0.07), 67.3°(... | JVASP-32820 | 4.40 8.53 10.19
90 90 90
Sn 0.750 0.647 0.852
Sn 0.250 0.353 0.148
Sn 0.750 0.147 0.648
Sn 0.250 0.853 0.352
I 0.750 0.992 0.169
I 0.250 0.508 0.669
I 0.750 0.492 0.331
I 0.250 0.008 0.831
Cl 0.250 0.646 0.053
Cl 0.750 0.854 0.553
Cl 0.250 0.146 0.447
Cl 0.750 0.354 0.947 |
Below is a description of a material. | The chemical formula is: CaSn4O8.
The XRD pattern shows main peaks at: 11.2°(0.57), 11.8°(0.25), 14.6°(0.25), 17.9°(0.86), 23.3°(0.28), 27.6°(0.22), 28.4°(0.42), 29.4°(0.78), 32.1°(0.65), 32.5°(1.0), 33.4°(0.37), 33.8°(0.22), 34.2°(0.43), 46.2°(0.33), 46.8°(0.25), 49.5°(0.35), 54.4°(0.28), 56.0°(0.22), 59.0°(0.23), 64.... | JVASP-10737 | 3.29 7.83 8.20
76 78 77
Ca 0.643 0.896 0.818
Sn 0.369 0.829 0.432
Sn 0.892 0.428 0.787
Sn 0.150 0.544 0.156
Sn 0.665 0.194 0.475
O 0.126 0.354 0.395
O 0.535 0.672 0.258
O 0.516 0.247 0.721
O 0.857 0.711 0.576
O 0.838 0.003 0.322
O 0.166 0.729 0.940
O 0.195 0.016 0.594
O 0.753 0.400 0.094 |
Below is a description of a material. | The chemical formula is: RbNaF.
The XRD pattern shows main peaks at: 10.5°(0.48), 20.9°(1.0), 23.4°(0.33), 29.7°(0.52), 31.6°(0.14), 36.7°(0.24), 38.5°(0.16), 42.4°(0.14), 44.1°(0.1), 47.8°(0.27), 48.3°(0.18), 49.0°(0.08), 52.8°(0.16), 53.2°(0.12), 54.1°(0.06), 58.6°(0.1), 62.1°(0.07), 66.2°(0.13), 69.9°(0.09), 73.9°(0... | JVASP-138866 | 4.26 4.26 8.40
90 90 90
Rb 0.000 0.000 -0.056
Na 0.000 0.000 0.475
F 0.000 0.000 0.231 |
Below is a description of a material. | The chemical formula is: MnZn13.
The XRD pattern shows main peaks at: 32.1°(0.07), 35.5°(0.24), 36.3°(0.08), 39.6°(0.08), 41.0°(0.6), 41.5°(0.73), 42.7°(1.0), 43.7°(0.25), 44.7°(0.27), 45.4°(0.09), 47.2°(0.14), 58.0°(0.08), 59.1°(0.07), 73.6°(0.18), 74.5°(0.15), 76.7°(0.19), 85.0°(0.07), 85.8°(0.1), 87.2°(0.11).
Genera... | JVASP-171510 | 5.17 6.59 6.59
71 81 81
Mn 0.500 0.000 0.000
Zn 0.200 0.991 0.358
Zn 0.800 0.009 0.642
Zn 0.800 0.642 0.009
Zn 0.200 0.358 0.991
Zn 0.314 0.213 0.635
Zn 0.686 0.787 0.365
Zn 0.686 0.365 0.787
Zn 0.314 0.635 0.213
Zn -0.000 0.000 0.000
Zn 0.053 0.616 0.616
Zn 0.947 0.384 0.384
Zn 0.383 0.772 0.772
Zn 0.617 0.228 0.228 |
Below is a description of a material. | The chemical formula is: Fe5SiB2.
The XRD pattern shows main peaks at: 28.8°(0.06), 34.9°(0.16), 37.1°(0.08), 37.6°(0.78), 42.2°(0.43), 45.4°(1.0), 46.7°(0.21), 48.5°(0.72), 52.6°(0.55), 53.5°(0.06), 58.5°(0.13), 71.2°(0.14), 72.9°(0.05), 73.8°(0.1), 75.4°(0.2), 76.6°(0.18), 77.6°(0.07), 78.9°(0.11), 83.5°(0.28).
Gener... | JVASP-62200 | 6.44 6.44 6.44
129 129 74
Fe 0.000 0.000 0.000
Fe 0.500 0.500 0.000
Fe 0.305 0.467 0.500
Fe 0.967 0.805 0.500
Fe 0.467 0.967 0.163
Fe 0.805 0.305 0.837
Fe 0.195 0.695 0.163
Fe 0.533 0.033 0.837
Fe 0.033 0.195 0.500
Fe 0.695 0.533 0.500
Si 0.250 0.250 0.000
Si 0.750 0.750 0.000
B 0.380 0.120 0.500
B 0.620 0.880 0.500
B ... |
Below is a description of a material. | The chemical formula is: PmAg3.
The XRD pattern shows main peaks at: 36.3°(1.0), 52.2°(0.15), 65.3°(0.33), 77.0°(0.1), 88.2°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-42101 | 4.95 4.95 4.95
59 59 59
Pm 0.750 0.750 0.750
Ag -0.000 -0.000 -0.000
Ag 0.500 0.500 0.500
Ag 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: PaTc2As2.
The XRD pattern shows main peaks at: 22.5°(0.18), 29.3°(0.11), 34.6°(1.0), 36.8°(0.07), 41.9°(0.44), 48.1°(0.05), 51.3°(0.15), 55.3°(0.28), 56.9°(0.08), 60.7°(0.15), 64.9°(0.16), 68.3°(0.13), 71.8°(0.24), 86.7°(0.08).
Generate atomic structure description with lattice lengths, angles,... | JVASP-155545 | 5.76 5.76 5.76
136 136 63
Pa 0.000 0.000 0.000
Tc 0.750 0.250 0.500
Tc 0.250 0.750 0.500
As 0.369 0.369 -0.000
As 0.631 0.631 0.000 |
Below is a description of a material. | The chemical formula is: Ga2FeIr.
The XRD pattern shows main peaks at: 25.9°(0.27), 30.0°(0.09), 42.9°(1.0), 50.8°(0.14), 62.3°(0.16), 68.6°(0.06), 78.6°(0.32).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-183825 | 4.21 4.21 4.21
60 60 60
Ga 0.750 0.750 0.750
Ga 0.250 0.250 0.250
Fe 0.500 0.500 0.500
Ir -0.000 -0.000 -0.000 |
Below is a description of a material. | The chemical formula is: ZrPbS3.
The XRD pattern shows main peaks at: 17.5°(0.32), 24.2°(0.26), 25.0°(1.0), 25.4°(0.25), 30.2°(0.13), 31.1°(0.21), 35.4°(0.27), 35.8°(0.24), 38.9°(0.17), 39.8°(0.21), 43.1°(0.2), 43.7°(0.11), 44.4°(0.38), 51.2°(0.2), 53.1°(0.1), 54.0°(0.14), 58.2°(0.14), 64.8°(0.14), 66.7°(0.08), 70.4°(0... | JVASP-115377 | 5.01 5.08 5.08
87 90 90
Zr 0.500 0.481 0.481
Pb 0.000 0.074 0.074
S 0.500 -0.039 0.430
S 0.500 0.430 -0.039
S 0.000 0.447 0.447 |
Below is a description of a material. | The chemical formula is: YbLaPt2.
The XRD pattern shows main peaks at: 35.8°(1.0), 51.5°(0.18), 64.3°(0.36), 75.8°(0.12), 86.7°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-106539 | 5.02 5.02 5.02
60 60 59
Yb 0.000 0.000 0.000
La 0.500 0.500 0.500
Pt 0.250 0.250 0.250
Pt 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: LiAlO2.
The XRD pattern shows main peaks at: 18.7°(0.83), 37.3°(0.16), 45.0°(1.0), 59.1°(0.13), 64.9°(0.23), 66.2°(0.24), 69.5°(0.1), 83.7°(0.12), 84.8°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-12870 | 5.01 5.01 5.01
32 32 32
Li 0.000 0.000 0.000
Al 0.500 0.500 0.500
O 0.239 0.239 0.239
O 0.761 0.761 0.761 |
Below is a description of a material. | The chemical formula is: LiTeH.
The XRD pattern shows main peaks at: 13.2°(1.0), 26.7°(0.24), 28.2°(0.42), 31.2°(0.55), 39.2°(0.33), 40.2°(0.16), 42.5°(0.23), 48.9°(0.17), 50.0°(0.16), 58.4°(0.12), 60.0°(0.09), 62.9°(0.08), 65.1°(0.07), 65.9°(0.08), 67.6°(0.11), 70.3°(0.05), 72.4°(0.11), 73.3°(0.05), 80.3°(0.08), 84.3°... | JVASP-116149 | 3.17 3.17 6.68
90 90 90
Li 0.000 0.000 0.281
Te 0.000 0.000 0.691
H 0.000 0.000 0.022 |
Below is a description of a material. | The chemical formula is: K2LiTlCl6.
The XRD pattern shows main peaks at: 15.1°(1.0), 17.4°(0.68), 24.7°(0.7), 29.1°(0.71), 35.2°(0.76), 38.5°(0.34), 39.5°(0.32), 43.5°(0.27), 46.3°(0.07), 50.7°(0.47), 53.2°(0.09), 63.2°(0.17), 85.1°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates ... | JVASP-109840 | 7.21 7.21 7.21
60 60 60
K 0.750 0.750 0.750
K 0.250 0.250 0.250
Li 0.500 0.500 0.500
Tl 0.000 0.000 0.000
Cl 0.745 0.255 0.255
Cl 0.255 0.255 0.745
Cl 0.255 0.745 0.745
Cl 0.255 0.745 0.255
Cl 0.745 0.255 0.745
Cl 0.745 0.745 0.255 |
Below is a description of a material. | The chemical formula is: BeHgGe4.
The XRD pattern shows main peaks at: 19.4°(0.28), 22.5°(0.31), 32.0°(0.3), 37.7°(1.0), 39.4°(0.35), 50.2°(0.08), 51.6°(0.14), 57.0°(0.12), 60.8°(0.34), 66.8°(0.2), 70.4°(0.05), 71.5°(0.07), 76.0°(0.05), 79.4°(0.11), 80.5°(0.13).
Generate atomic structure description with lattice length... | JVASP-70101 | 5.60 5.60 5.60
60 60 60
Be 0.000 0.000 0.000
Hg 0.250 0.250 0.250
Ge 0.122 0.626 0.626
Ge 0.626 0.626 0.626
Ge 0.626 0.122 0.626
Ge 0.626 0.626 0.122 |
Below is a description of a material. | The chemical formula is: Sc3Zn.
The XRD pattern shows main peaks at: 20.4°(0.11), 34.8°(0.25), 36.6°(1.0), 37.5°(0.25), 48.0°(0.06), 52.1°(0.14), 53.4°(0.09), 63.6°(0.11), 65.4°(0.07), 67.1°(0.22), 77.9°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-185303 | 4.79 5.94 3.43
73 89 113
Sc 0.891 0.901 0.827
Sc 0.173 0.465 0.046
Sc 0.455 0.029 0.263
Zn 0.673 0.465 0.545 |
Below is a description of a material. | The chemical formula is: Tb8Ca.
The XRD pattern shows main peaks at: 3.4°(0.74), 6.8°(0.18), 10.2°(0.07), 29.1°(0.35), 29.7°(0.32), 32.1°(1.0), 33.8°(0.96), 51.2°(0.42), 61.7°(0.15), 62.7°(0.16), 84.2°(0.13), 85.1°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-130044 | 3.57 3.57 25.92
90 90 120
Tb 0.000 0.000 0.226
Tb 0.667 0.333 0.119
Tb 0.667 0.333 0.336
Tb 0.667 0.333 0.555
Tb 0.333 0.667 0.445
Tb 0.333 0.667 0.664
Tb 0.333 0.667 0.881
Tb 0.000 0.000 0.774
Ca 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: LiCuTe.
The XRD pattern shows main peaks at: 19.8°(1.0), 22.7°(0.57), 30.3°(0.55), 39.8°(0.46), 40.2°(0.15), 44.9°(0.65), 46.7°(0.16), 50.8°(0.12), 57.9°(0.32), 66.5°(0.11), 72.3°(0.08), 75.8°(0.13), 76.4°(0.13), 86.1°(0.09), 89.3°(0.09).
Generate atomic structure description with lattice lengt... | JVASP-136515 | 4.53 4.53 4.48
90 90 119
Li 0.333 0.667 0.000
Cu 0.000 0.000 0.000
Te 0.667 0.333 0.000 |
Below is a description of a material. | The chemical formula is: Mg2V3InS8.
The XRD pattern shows main peaks at: 14.9°(0.78), 17.1°(0.1), 24.6°(0.17), 28.0°(0.28), 28.6°(0.61), 34.6°(1.0), 45.5°(0.21), 45.9°(0.13), 49.0°(0.44), 50.5°(0.43), 62.6°(0.14), 73.0°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom type... | JVASP-139955 | 7.44 7.44 7.44
58 58 58
Mg 0.880 0.880 0.880
Mg 0.133 0.133 0.133
V 0.511 0.511 0.980
V 0.980 0.511 0.511
V 0.511 -0.020 0.511
In 0.492 0.492 0.492
S 0.746 0.746 0.746
S 0.243 0.243 0.726
S 0.243 0.726 0.243
S 0.726 0.243 0.243
S 0.743 0.282 0.743
S 0.282 0.743 0.743
S 0.267 0.267 0.267
S 0.743 0.743 0.282 |
Below is a description of a material. | The chemical formula is: YWN3.
The XRD pattern shows main peaks at: 17.2°(0.12), 18.8°(0.08), 24.3°(0.27), 25.6°(0.15), 26.5°(1.0), 27.6°(0.33), 30.6°(0.49), 32.1°(0.11), 32.9°(0.4), 34.9°(0.16), 36.0°(0.08), 37.5°(0.17), 41.3°(0.13), 42.7°(0.07), 45.0°(0.08), 47.8°(0.21), 48.4°(0.08), 50.6°(0.19), 55.6°(0.1), 60.3°(0.... | JVASP-36679 | 6.25 7.25 7.25
98 105 74
Y 0.750 0.299 0.299
Y 0.750 0.912 0.912
Y 0.250 0.701 0.701
Y 0.250 0.088 0.088
W 0.237 0.199 0.618
W 0.763 0.801 0.382
W 0.263 0.618 0.199
W 0.737 0.382 0.801
N 0.953 0.366 0.646
N 0.047 0.634 0.354
N 0.547 0.646 0.366
N 0.351 0.372 0.103
N 0.649 0.628 0.897
N 0.453 0.354 0.634
N 0.851 0.897 0... |
Below is a description of a material. | The chemical formula is: CaAlO.
The XRD pattern shows main peaks at: 12.9°(0.07), 24.4°(1.0), 25.9°(0.17), 34.7°(0.42), 35.9°(0.25), 43.8°(0.15), 46.8°(0.08), 49.9°(0.13), 53.4°(0.07), 56.3°(0.17), 57.1°(0.07), 59.4°(0.11), 63.0°(0.1), 65.2°(0.09), 81.2°(0.08).
Generate atomic structure description with lattice lengths... | JVASP-118367 | 3.66 3.66 6.88
90 90 90
Ca 0.000 0.000 -0.024
Al 0.000 0.000 0.437
O 0.000 0.000 0.681 |
Below is a description of a material. | The chemical formula is: Y2MgScO.
The XRD pattern shows main peaks at: 18.2°(0.06), 20.2°(0.27), 25.9°(0.16), 33.0°(1.0), 37.0°(0.5), 41.0°(0.19), 42.5°(0.15), 49.1°(0.06), 53.3°(0.17), 56.4°(0.27), 57.5°(0.06), 64.1°(0.29), 69.3°(0.14), 78.7°(0.05), 88.0°(0.06).
Generate atomic structure description with lattice lengt... | JVASP-192875 | 4.86 4.86 4.40
90 90 90
Y 0.000 0.500 0.000
Y 0.500 0.000 -0.000
Sc -0.000 0.000 0.500
Mg 0.500 0.500 0.500
O -0.000 0.000 -0.000 |
Below is a description of a material. | The chemical formula is: I.
The XRD pattern shows main peaks at: 23.8°(0.45), 30.0°(1.0), 39.3°(0.24), 45.9°(0.31), 46.4°(0.27), 48.6°(0.06), 56.8°(0.08), 62.4°(0.12), 64.2°(0.11), 65.6°(0.19), 69.1°(0.09), 75.9°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-106479 | 4.39 4.39 3.24
68 68 43
I 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Li2S.
The XRD pattern shows main peaks at: 26.6°(0.43), 28.6°(1.0), 30.2°(0.77), 37.3°(0.05), 39.4°(0.45), 44.7°(0.28), 47.1°(0.12), 48.1°(0.17), 50.5°(0.22), 51.5°(0.2), 53.9°(0.23), 56.9°(0.23), 59.2°(0.08), 71.7°(0.08), 72.3°(0.15), 76.9°(0.05), 79.6°(0.07), 81.3°(0.06), 82.1°(0.07), 85.9°(0... | JVASP-9077 | 3.79 6.27 7.20
90 90 90
Li 0.250 0.859 0.072
Li 0.750 0.141 0.928
Li 0.250 0.359 0.428
Li 0.750 0.641 0.572
Li 0.750 0.021 0.335
Li 0.250 0.979 0.665
Li 0.750 0.521 0.165
Li 0.250 0.479 0.835
S 0.250 0.245 0.110
S 0.750 0.755 0.890
S 0.250 0.745 0.390
S 0.750 0.255 0.610 |
Below is a description of a material. | The chemical formula is: CdClO.
The XRD pattern shows main peaks at: 19.0°(0.58), 27.3°(0.22), 29.0°(1.0), 33.5°(0.13), 38.6°(0.14), 40.0°(0.75), 48.3°(0.37), 52.4°(0.23), 56.8°(0.09), 57.3°(0.13), 63.5°(0.17), 64.5°(0.18), 78.2°(0.11), 84.5°(0.17).
Generate atomic structure description with lattice lengths, angles, co... | JVASP-93797 | 3.77 3.77 9.34
90 90 119
Cd 0.333 0.667 0.479
Cd 0.667 0.333 0.979
Cl 0.333 0.667 0.165
Cl 0.667 0.333 0.665
O 0.000 -0.000 0.419
O -0.000 0.000 0.919 |
Below is a description of a material. | The chemical formula is: ZrO2.
The XRD pattern shows main peaks at: 23.6°(0.19), 29.1°(1.0), 31.1°(0.1), 34.1°(0.11), 35.6°(0.12), 41.9°(0.06), 46.9°(0.09), 48.2°(0.1), 50.4°(0.18), 51.0°(0.11), 51.4°(0.16), 58.1°(0.15), 60.4°(0.2), 62.1°(0.06), 62.8°(0.11), 67.6°(0.06), 78.9°(0.06), 85.6°(0.05).
Generate atomic struct... | JVASP-151841 | 5.25 5.75 5.00
90 90 90
Zr 0.285 0.563 0.750
Zr 0.785 0.437 0.250
Zr 0.285 0.063 0.250
Zr 0.785 0.937 0.750
O 0.108 0.852 0.524
O 0.608 0.148 0.476
O 0.108 0.352 0.476
O 0.608 0.648 0.524
O 0.963 0.648 0.977
O 0.463 0.352 0.023
O 0.963 0.148 0.023
O 0.463 0.852 0.977 |
Below is a description of a material. | The chemical formula is: Ba4HfCl.
The XRD pattern shows main peaks at: 15.1°(0.2), 17.4°(0.09), 24.7°(0.21), 29.0°(1.0), 30.4°(0.52), 35.2°(0.09), 38.5°(0.06), 39.5°(0.06), 43.5°(0.09), 46.3°(0.39), 50.6°(0.32), 59.4°(0.13), 60.2°(0.23), 71.0°(0.26), 74.4°(0.05), 81.8°(0.08).
Generate atomic structure description with ... | JVASP-64241 | 7.21 7.21 7.21
60 60 60
Ba 0.123 0.626 0.626
Ba 0.626 0.626 0.626
Ba 0.626 0.123 0.626
Ba 0.626 0.626 0.123
Hf 0.000 0.000 0.000
Cl 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: NaBeSb.
The XRD pattern shows main peaks at: 24.8°(0.91), 28.7°(1.0), 41.0°(0.91), 48.5°(0.46), 50.8°(0.27), 59.4°(0.15), 65.3°(0.06), 67.3°(0.31), 74.7°(0.29).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-78583 | 4.40 4.40 4.40
60 60 60
Na 0.000 0.000 0.000
Be 0.250 0.250 0.250
Sb 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Sr3Sn5.
The XRD pattern shows main peaks at: 15.5°(0.2), 27.8°(0.25), 28.3°(0.1), 31.3°(1.0), 31.7°(0.34), 32.2°(0.44), 32.8°(0.38), 33.5°(0.28), 36.4°(0.33), 36.8°(0.39), 42.7°(0.09), 43.6°(0.1), 44.4°(0.1), 46.6°(0.12), 47.6°(0.18), 53.3°(0.2), 61.6°(0.1), 62.1°(0.16), 64.0°(0.14), 67.3°(0.08... | JVASP-163248 | 6.88 6.88 10.92
90 90 102
Sr 0.641 0.641 0.250
Sr 0.359 0.359 0.750
Sr 0.796 0.204 0.500
Sr 0.796 0.204 -0.000
Sr 0.204 0.796 0.500
Sr 0.204 0.796 -0.000
Sn 0.038 0.038 0.250
Sn 0.962 0.962 0.750
Sn 0.309 0.309 0.052
Sn 0.691 0.691 0.948
Sn 0.309 0.309 0.448
Sn 0.691 0.691 0.552
Sn 0.086 0.491 0.250
Sn 0.509 0.914 0.75... |
Below is a description of a material. | The chemical formula is: NbCoO4.
The XRD pattern shows main peaks at: 14.3°(0.34), 15.2°(0.21), 17.4°(0.16), 23.9°(0.32), 24.5°(1.0), 28.8°(0.45), 29.6°(0.31), 30.7°(0.12), 32.9°(0.51), 35.2°(0.16), 36.2°(0.3), 38.8°(0.19), 43.7°(0.14), 44.4°(0.23), 47.5°(0.29), 51.2°(0.13), 56.5°(0.13), 58.1°(0.28), 61.8°(0.12), 67.1°... | JVASP-143959 | 6.41 6.41 6.52
73 73 34
Nb 0.104 0.104 0.762
Nb 0.896 0.896 0.238
Co 0.797 0.797 0.827
Co 0.203 0.203 0.173
O 0.942 0.942 0.865
O 0.058 0.058 0.135
O 0.738 0.738 0.136
O 0.143 0.143 0.470
O 0.643 0.643 0.801
O 0.857 0.857 0.530
O 0.262 0.262 0.864
O 0.357 0.357 0.199 |
Below is a description of a material. | The chemical formula is: Dy3Ir.
The XRD pattern shows main peaks at: 18.7°(0.14), 21.0°(0.19), 30.2°(0.28), 30.8°(0.18), 31.6°(0.44), 32.4°(1.0), 34.3°(0.26), 34.7°(0.96), 36.6°(0.27), 38.6°(0.3), 39.1°(0.31), 40.3°(0.27), 41.5°(0.2), 49.1°(0.25), 53.1°(0.14), 54.2°(0.16), 56.8°(0.15), 58.1°(0.12), 59.3°(0.17), 59.7°(0... | JVASP-142709 | 6.34 7.17 9.23
90 90 90
Dy 0.328 0.678 0.061
Dy 0.172 0.178 0.439
Dy 0.672 0.322 0.561
Dy 0.828 0.822 0.939
Dy 0.672 0.322 0.939
Dy 0.828 0.822 0.561
Dy 0.328 0.678 0.439
Dy 0.172 0.178 0.061
Dy 0.869 0.532 0.250
Dy 0.631 0.032 0.250
Dy 0.131 0.468 0.750
Dy 0.369 0.968 0.750
Ir 0.049 0.884 0.250
Ir 0.451 0.384 0.250
Ir... |
Below is a description of a material. | The chemical formula is: TiNbC2.
The XRD pattern shows main peaks at: 17.4°(0.2), 33.5°(0.13), 35.1°(1.0), 40.8°(0.83), 44.6°(0.07), 59.0°(0.51), 70.5°(0.34), 74.2°(0.15), 88.3°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-191718 | 5.42 5.42 5.42
33 33 33
Nb 0.000 -0.000 0.000
C 0.753 0.753 0.753
C 0.247 0.247 0.247
Ti 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: BeBiMo.
The XRD pattern shows main peaks at: 18.6°(0.31), 28.4°(1.0), 37.6°(0.2), 38.3°(0.6), 39.2°(0.94), 42.9°(0.17), 54.8°(0.27), 55.3°(0.22), 57.9°(0.06), 58.8°(0.07), 63.3°(0.23), 68.8°(0.15), 69.8°(0.38), 71.5°(0.13), 75.2°(0.15), 82.0°(0.09), 84.2°(0.09).
Generate atomic structure descri... | JVASP-66780 | 5.33 5.33 5.33
143 143 52
Be 0.048 0.048 0.000
Bi 0.325 0.325 -0.000
Mo 0.627 0.627 -0.000 |
Below is a description of a material. | The chemical formula is: LiScO.
The XRD pattern shows main peaks at: 13.5°(0.98), 26.8°(1.0), 30.1°(0.56), 38.2°(0.36), 40.7°(0.23), 41.2°(0.08), 47.5°(0.1), 49.8°(0.17), 55.2°(0.1), 57.4°(0.1), 62.4°(0.15), 63.0°(0.12), 64.1°(0.1), 69.3°(0.06), 69.8°(0.08), 77.5°(0.07), 82.4°(0.05), 88.6°(0.09).
Generate atomic struct... | JVASP-135319 | 3.33 3.33 6.58
90 90 90
Li 0.000 0.000 0.450
Sc 0.000 0.000 -0.023
O 0.000 0.000 0.710 |
Below is a description of a material. | The chemical formula is: La2ZnPd.
The XRD pattern shows main peaks at: 34.1°(1.0), 49.0°(0.17), 61.1°(0.37), 71.9°(0.11), 82.0°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-157160 | 5.25 5.25 5.25
60 60 60
La 0.000 0.000 0.000
La 0.500 0.500 0.500
Zn 0.750 0.750 0.750
Pd 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: ScFe4P2.
The XRD pattern shows main peaks at: 18.2°(0.45), 31.1°(0.07), 38.6°(1.0), 41.5°(0.42), 45.1°(0.68), 47.6°(0.08), 49.0°(0.72), 51.2°(0.34), 55.0°(0.29), 61.3°(0.08), 67.9°(0.16), 73.7°(0.16), 74.1°(0.1), 78.5°(0.2), 88.1°(0.08).
Generate atomic structure description with lattice length... | JVASP-26957 | 6.89 6.89 3.57
90 90 90
Sc 0.000 0.000 0.500
Sc 0.500 0.500 0.000
Fe 0.580 0.158 0.500
Fe 0.842 0.420 0.500
Fe 0.080 0.342 0.000
Fe 0.920 0.658 0.000
Fe 0.420 0.842 0.500
Fe 0.158 0.580 0.500
Fe 0.342 0.080 0.000
Fe 0.658 0.920 0.000
P 0.720 0.720 0.500
P 0.220 0.780 0.000
P 0.280 0.280 0.500
P 0.780 0.220 0.000 |
Below is a description of a material. | The chemical formula is: Y7Sc.
The XRD pattern shows main peaks at: 31.2°(1.0), 36.2°(0.52), 52.2°(0.33), 62.1°(0.38), 65.2°(0.11), 76.9°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-188639 | 7.01 7.01 7.01
60 60 60
Sc -0.000 0.000 0.000
Y -0.000 0.500 -0.000
Y 0.000 0.500 0.500
Y 0.500 0.500 0.000
Y 0.500 0.000 0.500
Y 0.500 0.000 0.000
Y 0.000 0.000 0.500
Y 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Ba4SiGe.
The XRD pattern shows main peaks at: 15.8°(0.52), 25.9°(0.08), 30.5°(1.0), 31.9°(0.7), 37.0°(0.22), 40.4°(0.15), 48.6°(0.35), 53.3°(0.34), 55.9°(0.12), 62.6°(0.13), 63.4°(0.3), 66.6°(0.06), 68.9°(0.06), 75.0°(0.23), 78.7°(0.06), 86.7°(0.07), 87.4°(0.07).
Generate atomic structure descr... | JVASP-66305 | 6.88 6.88 6.88
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
Si 0.000 0.000 0.000
Ge 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: I2Cl.
The XRD pattern shows main peaks at: 16.3°(1.0), 23.0°(0.84), 28.4°(0.54), 29.3°(0.42), 33.0°(0.34), 33.8°(0.35), 37.6°(0.46), 40.6°(0.35), 41.3°(0.4), 44.8°(0.26), 47.1°(0.12), 50.1°(0.11), 50.9°(0.38), 56.4°(0.14), 58.7°(0.12), 59.2°(0.14), 64.6°(0.11), 67.0°(0.16), 75.8°(0.12), 81.6°(0... | JVASP-135132 | 5.43 3.86 6.09
90 89 90
I -0.033 0.000 -0.033
I -0.033 0.000 0.467
Cl 0.467 0.000 -0.033 |
Below is a description of a material. | The chemical formula is: InF3.
The XRD pattern shows main peaks at: 23.1°(1.0), 31.3°(0.39), 34.5°(0.18), 41.9°(0.18), 47.2°(0.15), 51.0°(0.33), 53.5°(0.09), 55.3°(0.15), 59.8°(0.12), 61.8°(0.11), 65.2°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-2502 | 5.78 5.78 5.78
53 53 53
In 0.500 0.500 0.500
In 0.000 0.000 0.000
F 0.403 0.750 0.097
F 0.750 0.097 0.403
F 0.903 0.597 0.250
F 0.250 0.903 0.597
F 0.597 0.250 0.903
F 0.097 0.403 0.750 |
Below is a description of a material. | The chemical formula is: ScCuO2.
The XRD pattern shows main peaks at: 31.2°(0.23), 32.4°(0.18), 33.7°(1.0), 38.4°(0.33), 53.8°(0.26), 57.1°(0.25), 63.5°(0.17), 66.5°(0.14), 67.9°(0.1), 70.9°(0.05), 82.2°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-8064 | 6.03 6.03 6.03
31 31 31
Sc 0.500 0.500 0.500
Cu 0.000 0.000 0.000
O 0.893 0.893 0.893
O 0.107 0.107 0.107 |
Below is a description of a material. | The chemical formula is: Nb2VRe.
The XRD pattern shows main peaks at: 24.2°(0.24), 40.0°(1.0), 47.3°(0.13), 57.9°(0.16), 72.7°(0.33), 86.4°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-186952 | 4.51 4.51 4.51
60 60 60
Re 0.500 0.500 0.500
Nb 0.250 0.250 0.250
Nb 0.750 0.750 0.750
V 0.000 -0.000 0.000 |
Below is a description of a material. | The chemical formula is: RbTaP2O8.
The XRD pattern shows main peaks at: 10.7°(0.91), 19.8°(0.92), 20.8°(0.66), 21.6°(0.35), 22.2°(0.56), 24.1°(0.29), 28.9°(1.0), 30.0°(0.65), 31.2°(0.21), 34.0°(0.31), 35.8°(0.54), 40.6°(0.25), 43.4°(0.12), 45.3°(0.23), 46.8°(0.15), 47.9°(0.14), 49.4°(0.29), 57.7°(0.12), 58.7°(0.13), 59... | JVASP-97409 | 5.03 5.03 8.25
86 86 63
Rb 0.000 0.000 0.000
Ta -0.000 -0.000 0.500
P 0.637 0.637 0.707
P 0.363 0.363 0.293
O 0.319 0.319 0.122
O 0.774 0.300 0.665
O 0.226 0.700 0.335
O 0.300 0.774 0.665
O 0.700 0.226 0.335
O 0.681 0.681 0.878
O 0.221 0.221 0.424
O 0.779 0.779 0.576 |
Below is a description of a material. | The chemical formula is: PmGaNi.
The XRD pattern shows main peaks at: 24.4°(0.3), 28.3°(0.39), 40.4°(1.0), 47.8°(0.15), 50.1°(0.1), 58.5°(0.17), 64.3°(0.06), 66.2°(0.14), 73.5°(0.33), 87.4°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-156475 | 4.46 4.46 4.46
60 60 60
Pm 0.750 0.750 0.750
Ga 0.250 0.250 0.250
Ni 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Ho2OsC2.
The XRD pattern shows main peaks at: 22.9°(0.09), 28.9°(0.08), 30.9°(0.2), 32.8°(0.87), 33.4°(0.32), 34.2°(1.0), 35.3°(0.76), 35.7°(0.6), 39.5°(0.21), 46.8°(0.16), 47.6°(0.12), 49.4°(0.19), 54.0°(0.19), 60.0°(0.15), 60.4°(0.15), 61.7°(0.17), 62.6°(0.18), 63.6°(0.18), 69.9°(0.09), 74.6°... | JVASP-145314 | 5.09 6.43 9.73
90 90 90
Ho 0.250 0.682 0.553
Ho 0.750 0.318 0.447
Ho 0.750 0.818 0.053
Ho 0.250 0.182 0.947
Ho 0.250 0.526 0.218
Ho 0.750 0.474 0.782
Ho 0.750 0.974 0.718
Ho 0.250 0.026 0.282
Os 0.250 0.221 0.633
Os 0.750 0.779 0.367
Os 0.750 0.279 0.133
Os 0.250 0.721 0.867
C 0.250 0.458 0.758
C 0.750 0.542 0.242
C 0.... |
Below is a description of a material. | The chemical formula is: CeNiAs.
The XRD pattern shows main peaks at: 25.0°(0.12), 34.0°(1.0), 44.0°(0.44), 46.3°(0.12), 56.7°(0.21), 65.8°(0.25), 74.5°(0.19), 77.8°(0.09), 80.9°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-78476 | 3.92 4.12 4.12
119 90 90
Ce 0.000 -0.000 1.000
Ni 0.500 0.667 0.333
As 0.500 0.333 0.667 |
Below is a description of a material. | The chemical formula is: Fe5NiN4.
The XRD pattern shows main peaks at: 23.0°(0.07), 31.5°(0.13), 37.1°(0.07), 38.8°(0.53), 39.4°(1.0), 41.0°(0.64), 43.4°(0.91), 50.8°(0.08), 52.4°(0.08), 54.7°(0.06), 57.7°(0.77), 65.8°(0.16), 70.6°(0.14), 73.4°(0.16), 79.1°(0.43), 82.2°(0.24), 83.2°(0.07).
Generate atomic structure des... | JVASP-143225 | 6.99 5.67 4.65
90 90 90
Fe 0.559 0.488 0.251
Fe 0.750 0.750 0.713
Fe 0.059 0.988 0.749
Fe 0.441 0.988 0.749
Fe 0.059 0.512 0.749
Fe 0.250 0.250 0.287
Fe 0.941 0.012 0.251
Fe 0.559 0.012 0.251
Fe 0.941 0.488 0.251
Fe 0.441 0.512 0.749
Ni 0.750 0.250 0.730
Ni 0.250 0.750 0.270
N 0.477 0.250 0.512
N 0.750 0.986 0.989
N 0.... |
Below is a description of a material. | The chemical formula is: TiVSe4.
The XRD pattern shows main peaks at: 14.5°(0.14), 29.3°(0.13), 33.2°(1.0), 42.2°(0.38), 52.7°(0.26), 54.4°(0.21), 60.7°(0.06), 61.4°(0.08), 63.7°(0.13), 69.7°(0.06), 84.6°(0.09), 87.3°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-102659 | 3.47 6.02 6.10
89 90 90
Ti 0.000 0.000 0.000
V 0.500 0.500 -0.000
Se 0.000 0.662 0.747
Se 0.500 0.170 0.743
Se 0.500 0.830 0.257
Se 0.000 0.338 0.253 |
Below is a description of a material. | The chemical formula is: MoXe.
The XRD pattern shows main peaks at: 24.9°(0.43), 29.6°(0.22), 32.2°(1.0), 39.1°(0.21), 48.7°(0.3), 51.1°(0.06), 52.6°(0.16), 59.0°(0.22), 60.2°(0.06), 63.0°(0.14), 73.3°(0.09), 74.5°(0.09), 76.4°(0.11), 86.5°(0.12).
Generate atomic structure description with lattice lengths, angles, coor... | JVASP-128581 | 3.48 3.48 7.14
90 90 119
Mo 0.333 0.667 0.250
Xe 0.667 0.333 0.750 |
Below is a description of a material. | The chemical formula is: CaCl2O4.
The XRD pattern shows main peaks at: 14.4°(0.06), 31.0°(1.0), 38.0°(0.08), 41.6°(0.06), 44.7°(0.16), 55.0°(0.16), 64.6°(0.06), 73.9°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-57149 | 5.72 5.75 6.80
115 90 90
Ca 0.750 0.250 0.500
Ca 0.250 0.750 0.500
Cl 0.250 0.077 0.154
Cl 0.750 0.577 0.154
Cl 0.250 0.423 0.846
Cl 0.750 0.923 0.846
O 0.410 0.988 0.300
O 0.410 0.512 0.700
O 0.590 0.012 0.700
O 0.090 0.188 0.700
O 0.910 0.688 0.700
O 0.910 0.812 0.300
O 0.590 0.488 0.300
O 0.090 0.312 0.300 |
Below is a description of a material. | The chemical formula is: MgGaRhPt.
The XRD pattern shows main peaks at: 25.0°(0.15), 28.9°(0.32), 41.4°(1.0), 51.3°(0.09), 59.9°(0.15), 75.5°(0.31).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-190169 | 4.36 4.36 4.36
60 60 60
Mg 0.750 0.750 0.750
Rh 0.500 0.500 0.500
Ga 0.250 0.250 0.250
Pt -0.000 0.000 -0.000 |
Below is a description of a material. | The chemical formula is: LaCeSn6.
The XRD pattern shows main peaks at: 32.5°(1.0), 37.7°(0.49), 54.3°(0.38), 64.7°(0.3), 68.0°(0.13), 89.4°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-104731 | 4.78 4.78 9.56
90 90 90
La 0.000 0.000 0.500
Ce 0.000 0.000 0.000
Sn 0.500 0.500 0.000
Sn 0.500 0.500 0.500
Sn 0.500 0.000 0.246
Sn 0.500 0.000 0.754
Sn 0.000 0.500 0.246
Sn 0.000 0.500 0.754 |
Below is a description of a material. | The chemical formula is: Li2SiNiO4.
The XRD pattern shows main peaks at: 21.5°(0.42), 22.6°(1.0), 24.7°(0.21), 27.1°(0.11), 27.8°(0.14), 29.1°(0.11), 33.3°(0.33), 34.1°(0.31), 34.9°(0.42), 35.8°(0.09), 37.0°(0.12), 42.8°(0.07), 46.6°(0.08), 48.0°(0.09), 49.0°(0.07), 58.4°(0.14), 60.4°(0.13), 61.0°(0.13), 62.1°(0.2), 74... | JVASP-46765 | 5.15 5.40 6.14
92 89 93
Li 0.800 0.828 0.241
Li 0.312 0.685 0.487
Li 0.691 0.320 0.010
Li 0.200 0.170 0.756
Si 0.821 0.825 0.742
Si 0.179 0.175 0.256
Ni 0.307 0.663 0.991
Ni 0.687 0.332 0.521
O 0.210 0.871 0.242
O 0.141 0.806 0.746
O 0.695 0.685 0.956
O 0.693 0.700 0.514
O 0.313 0.304 0.041
O 0.303 0.310 0.482
O 0.860 ... |
Below is a description of a material. | The chemical formula is: AlNO.
The XRD pattern shows main peaks at: 24.4°(1.0), 29.1°(0.07), 38.3°(0.08), 50.0°(0.1), 51.5°(0.28), 57.8°(0.38), 74.7°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-121170 | 3.55 3.55 3.65
90 90 120
Al 0.000 0.000 0.000
N 0.333 0.667 0.000
O 0.667 0.333 0.000 |
Below is a description of a material. | The chemical formula is: BeSnBi.
The XRD pattern shows main peaks at: 16.7°(0.07), 18.4°(0.13), 24.9°(1.0), 28.0°(0.47), 33.8°(0.28), 37.2°(0.19), 37.8°(0.69), 41.1°(0.07), 44.5°(0.27), 47.2°(0.19), 50.4°(0.08), 51.2°(0.15), 55.4°(0.13), 59.3°(0.18), 63.2°(0.17), 64.0°(0.17), 67.5°(0.1), 68.8°(0.07), 80.9°(0.08), 84.3°... | JVASP-133998 | 5.30 4.83 3.19
90 90 89
Be -0.076 -0.102 0.000
Sn -0.077 0.402 0.000
Bi 0.424 -0.028 0.000 |
Below is a description of a material. | The chemical formula is: FePd3.
The XRD pattern shows main peaks at: 22.9°(0.06), 40.3°(1.0), 46.8°(0.53), 68.4°(0.32), 82.4°(0.38), 87.0°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-126472 | 3.88 3.88 3.88
90 90 90
Fe 0.500 0.000 0.000
Pd 0.500 0.500 0.500
Pd 0.000 0.000 0.500
Pd 0.000 0.500 0.000 |
Below is a description of a material. | The chemical formula is: DyCrO4.
The XRD pattern shows main peaks at: 18.8°(0.37), 25.0°(1.0), 31.5°(0.12), 33.7°(0.69), 35.6°(0.24), 40.6°(0.15), 45.2°(0.1), 48.2°(0.13), 49.8°(0.62), 51.2°(0.16), 57.8°(0.15), 62.7°(0.18), 65.0°(0.12), 70.8°(0.1), 74.2°(0.14), 81.8°(0.06), 85.1°(0.12), 86.2°(0.06), 87.2°(0.12).
Genera... | JVASP-152577 | 5.94 5.94 5.94
116 106 106
Dy 0.750 0.875 0.625
Dy 0.250 0.125 0.375
Cr 0.750 0.375 0.125
Cr 0.250 0.625 0.875
O 0.566 0.200 0.767
O 0.934 0.200 0.134
O 0.066 0.800 0.866
O 0.434 0.800 0.233
O 0.566 0.366 0.300
O 0.934 0.733 0.300
O 0.434 0.634 0.700
O 0.066 0.267 0.700 |
Below is a description of a material. | The chemical formula is: HfNi2RuH.
The XRD pattern shows main peaks at: 22.6°(0.14), 23.4°(0.06), 32.8°(0.06), 33.4°(0.11), 40.7°(1.0), 46.2°(0.17), 47.9°(0.3), 53.6°(0.06), 58.2°(0.05), 68.8°(0.2), 70.1°(0.1), 81.8°(0.11), 84.4°(0.22), 88.2°(0.1).
Generate atomic structure description with lattice lengths, angles, coo... | JVASP-187608 | 3.80 3.80 3.93
90 90 90
Ru 0.000 0.000 0.500
Hf 0.500 0.500 0.500
H 0.000 0.000 0.000
Ni 0.000 0.500 -0.000
Ni 0.500 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Be2NiBr.
The XRD pattern shows main peaks at: 29.0°(1.0), 31.9°(0.5), 37.0°(0.49), 43.1°(0.89), 49.6°(0.2), 57.5°(0.17), 64.7°(0.25), 65.1°(0.09), 65.7°(0.18), 66.8°(0.06), 67.3°(0.21), 70.4°(0.15), 79.4°(0.1), 85.8°(0.06).
Generate atomic structure description with lattice lengths, angles, coo... | JVASP-70024 | 6.04 6.04 6.04
149 149 44
Be 0.000 0.000 0.000
Be 0.250 0.750 0.500
Ni 0.750 0.250 0.500
Br 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: Sc3NiC4.
The XRD pattern shows main peaks at: 14.9°(0.18), 21.6°(0.09), 30.4°(0.07), 34.5°(0.1), 36.5°(1.0), 41.3°(0.19), 43.2°(0.14), 45.3°(0.3), 46.4°(0.06), 51.9°(0.09), 53.4°(0.15), 54.9°(0.13), 63.2°(0.09), 69.6°(0.07), 71.0°(0.05), 72.5°(0.13), 87.3°(0.07).
Generate atomic structure descr... | JVASP-149874 | 6.57 6.57 6.57
149 141 50
Sc 0.500 0.000 0.500
Sc 0.813 0.813 -0.000
Sc 0.187 0.187 -0.000
Ni -0.000 0.500 0.500
C 0.459 0.625 0.834
C 0.791 0.625 0.166
C 0.209 0.375 0.834
C 0.541 0.375 0.166 |
Below is a description of a material. | The chemical formula is: YAlAg2.
The XRD pattern shows main peaks at: 22.6°(0.08), 26.1°(0.14), 37.2°(1.0), 53.7°(0.18), 67.1°(0.32), 79.4°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-41606 | 4.83 4.83 4.83
60 60 60
Y 0.750 0.750 0.750
Al 0.250 0.250 0.250
Ag 0.500 0.500 0.500
Ag 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: InPO2.
The XRD pattern shows main peaks at: 14.5°(0.42), 29.1°(0.56), 32.5°(1.0), 41.5°(0.77), 44.1°(0.14), 51.5°(0.33), 53.8°(0.22), 60.1°(0.14), 62.2°(0.07), 68.1°(0.18), 70.0°(0.22), 75.9°(0.15), 84.9°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-183162 | 3.08 3.08 6.13
90 90 90
In 0.500 0.500 0.569
P -0.000 -0.000 0.069
O -0.000 0.000 0.322
O 0.500 0.500 0.050 |
Below is a description of a material. | The chemical formula is: ZrGeN2.
The XRD pattern shows main peaks at: 32.3°(1.0), 46.2°(0.19), 57.6°(0.3), 67.7°(0.09), 76.8°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-104776 | 3.93 3.93 7.81
90 90 90
Zr 0.750 0.750 0.612
Zr 0.250 0.250 0.388
Ge 0.750 0.750 0.115
Ge 0.250 0.250 0.885
N 0.750 0.250 0.500
N 0.250 0.750 0.500
N 0.750 0.750 0.880
N 0.250 0.250 0.120 |
Below is a description of a material. | The chemical formula is: CeHg.
The XRD pattern shows main peaks at: 33.5°(1.0), 48.1°(0.17), 59.9°(0.36), 70.5°(0.11), 80.3°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-18943 | 3.78 3.78 3.78
90 90 90
Ce 0.000 0.000 0.000
Hg 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Ce3Sb4Pt3.
The XRD pattern shows main peaks at: 22.1°(0.27), 25.6°(0.09), 34.0°(1.0), 41.0°(0.45).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-121471 | 8.54 8.54 8.54
109 109 109
Ce 0.875 0.250 0.125
Ce 0.625 0.750 0.375
Ce 0.250 0.125 0.875
Ce 0.750 0.375 0.625
Ce 0.125 0.875 0.250
Ce 0.375 0.625 0.750
Sb 0.327 0.327 0.327
Sb 0.000 0.173 0.500
Sb 0.173 0.500 1.000
Sb 0.500 1.000 0.173
Sb 0.827 0.827 0.827
Sb 0.000 0.673 0.500
Sb 0.500 1.000 0.673
Sb 0.673 0.500 1.000... |
Below is a description of a material. | The chemical formula is: CaDyAl4.
The XRD pattern shows main peaks at: 19.4°(0.56), 22.4°(0.27), 31.9°(0.7), 37.6°(1.0), 39.4°(0.16), 56.9°(0.27), 66.7°(0.19).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-106124 | 5.61 5.61 5.61
60 60 60
Ca 0.250 0.250 0.250
Dy 0.000 0.000 0.000
Al 0.625 0.625 0.124
Al 0.625 0.124 0.625
Al 0.124 0.625 0.625
Al 0.625 0.625 0.625 |
Below is a description of a material. | The chemical formula is: BeNbZn2.
The XRD pattern shows main peaks at: 12.8°(0.11), 25.8°(0.12), 31.6°(0.15), 34.2°(0.31), 39.1°(0.13), 41.2°(1.0), 45.3°(0.39), 53.0°(0.1), 61.3°(0.12), 65.9°(0.12), 72.2°(0.13), 76.7°(0.1), 79.4°(0.06), 80.8°(0.26), 89.5°(0.07).
Generate atomic structure description with lattice length... | JVASP-68115 | 2.83 2.83 6.91
90 90 90
Be 0.000 0.000 0.474
Nb 0.500 0.500 0.725
Zn 0.000 0.000 0.020
Zn 0.500 0.500 0.281 |
Below is a description of a material. | The chemical formula is: BSbO.
The XRD pattern shows main peaks at: 24.9°(1.0), 30.0°(0.39), 39.4°(0.59), 43.9°(0.34), 51.1°(0.14), 54.0°(0.36), 60.4°(0.17), 68.2°(0.12), 69.6°(0.1), 77.6°(0.16), 79.3°(0.12), 80.6°(0.06), 84.7°(0.07), 88.3°(0.1).
Generate atomic structure description with lattice lengths, angles, coord... | JVASP-115501 | 4.13 4.13 2.98
90 90 120
B 0.000 0.000 0.000
Sb 0.667 0.333 0.000
O 0.333 0.667 0.000 |
Below is a description of a material. | The chemical formula is: Sc2PdPt.
The XRD pattern shows main peaks at: 23.4°(0.12), 27.1°(0.39), 38.7°(1.0), 45.7°(0.06), 47.8°(0.12), 55.8°(0.19), 63.1°(0.17), 69.9°(0.34), 82.9°(0.12), 89.2°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-188100 | 4.66 4.66 4.66
60 60 60
Sc 0.250 0.250 0.250
Sc 0.750 0.750 0.750
Pd 0.000 0.000 -0.000
Pt 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Ba4TiFe.
The XRD pattern shows main peaks at: 15.6°(0.49), 25.6°(0.08), 30.1°(1.0), 31.5°(0.72), 36.5°(0.23), 39.9°(0.14), 48.0°(0.33), 52.6°(0.36), 55.2°(0.11), 61.8°(0.12), 62.6°(0.3), 65.7°(0.05), 68.0°(0.06), 74.0°(0.22), 77.6°(0.06), 85.4°(0.06), 86.1°(0.06).
Generate atomic structure desc... | JVASP-66447 | 6.96 6.96 6.96
60 60 60
Ba 0.127 0.624 0.624
Ba 0.624 0.624 0.624
Ba 0.624 0.127 0.624
Ba 0.624 0.624 0.127
Ti 0.000 0.000 0.000
Fe 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: BiOF2.
The XRD pattern shows main peaks at: 19.8°(0.76), 25.7°(0.92), 32.7°(1.0), 36.7°(0.74), 40.3°(0.18), 42.1°(0.51), 48.5°(0.52), 52.9°(0.24), 55.7°(0.27), 57.0°(0.22), 59.7°(0.2), 63.6°(0.32), 68.5°(0.28), 74.5°(0.42), 78.0°(0.07), 81.5°(0.09), 86.1°(0.07), 87.2°(0.08), 89.5°(0.11).
Genera... | JVASP-117717 | 3.46 3.46 4.47
90 90 90
Bi 0.500 0.500 0.677
O 0.000 0.000 0.823
F 0.000 0.000 0.357
F 0.500 0.500 0.153 |
Below is a description of a material. | The chemical formula is: Li3FeOF3.
The XRD pattern shows main peaks at: 8.9°(1.0), 18.4°(0.36), 18.9°(0.23), 21.8°(0.15), 36.1°(0.14), 41.2°(0.08), 43.8°(0.51), 46.3°(0.06), 62.8°(0.09), 63.6°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-43184 | 2.92 5.11 10.08
99 89 105
Li 0.756 0.508 0.132
Li 0.498 0.001 0.250
Li 0.498 0.001 0.750
Li 0.989 -0.002 0.496
Li 0.240 0.495 0.368
Li 0.007 0.005 0.004
Fe 0.719 0.487 0.646
Fe 0.278 0.515 0.854
O 0.905 0.777 0.821
O 0.092 0.226 0.679
F 0.871 0.749 0.311
F 0.611 0.244 0.428
F 0.634 0.268 0.951
F 0.125 0.254 0.189
F 0.3... |
Below is a description of a material. | The chemical formula is: TaVCN.
The XRD pattern shows main peaks at: 17.8°(0.7), 34.3°(0.42), 35.9°(0.96), 41.7°(1.0), 45.7°(0.24), 55.2°(0.14), 60.3°(0.33), 60.6°(0.28), 63.4°(0.06), 72.3°(0.32), 76.0°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-108733 | 5.28 5.28 5.28
33 33 33
Ta 0.746 0.746 0.746
V 0.259 0.259 0.259
C 0.995 0.995 0.995
N 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Nb3GeS6.
The XRD pattern shows main peaks at: 13.0°(0.8), 17.5°(0.1), 21.9°(0.14), 26.2°(0.07), 30.6°(0.35), 31.3°(0.15), 33.4°(0.34), 40.7°(1.0), 45.6°(0.06), 54.5°(0.28), 56.2°(0.09), 70.2°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-40488 | 5.84 5.84 13.62
90 90 120
Nb 0.333 0.667 0.500
Nb 0.000 0.000 0.500
Nb 0.000 0.000 0.000
Nb 0.333 0.667 0.000
Nb 0.667 0.333 0.000
Nb 0.667 0.333 0.500
Ge 0.000 0.000 0.250
Ge 0.000 0.000 0.750
S -0.000 0.336 0.616
S -0.000 0.336 0.384
S 0.336 -0.000 0.616
S 0.336 -0.000 0.384
S 0.664 0.000 0.116
S 0.336 0.336 0.116
S ... |
Below is a description of a material. | The chemical formula is: Co3B.
The XRD pattern shows main peaks at: 37.5°(0.15), 38.3°(0.46), 40.6°(0.2), 42.9°(0.47), 44.7°(1.0), 46.1°(0.69), 46.9°(0.51), 49.5°(0.55), 53.0°(0.27), 54.8°(0.11), 55.6°(0.07), 57.6°(0.22), 72.8°(0.13), 77.2°(0.12), 80.8°(0.13), 83.9°(0.29), 85.5°(0.13), 87.4°(0.13), 87.8°(0.11), 88.3°(0... | JVASP-59652 | 4.41 5.15 6.61
90 90 90
Co 0.650 0.815 0.941
Co 0.150 0.685 0.059
Co 0.850 0.315 0.559
Co 0.350 0.185 0.441
Co 0.867 0.024 0.250
Co 0.367 0.476 0.750
Co 0.633 0.524 0.250
Co 0.133 0.976 0.750
Co 0.650 0.815 0.559
Co 0.150 0.685 0.441
Co 0.850 0.315 0.941
Co 0.350 0.185 0.059
B 0.562 0.120 0.750
B 0.062 0.380 0.250
B 0.... |
Below is a description of a material. | The chemical formula is: Ba2PrNbO6.
The XRD pattern shows main peaks at: 29.1°(1.0), 41.5°(0.32), 51.7°(0.34), 60.5°(0.13), 68.3°(0.1), 83.4°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-172936 | 6.13 6.19 8.66
90 90 90
Ba 0.490 0.494 0.251
Ba 0.010 0.994 0.751
Ba 0.990 0.006 0.249
Ba 0.510 0.506 0.749
Pr 0.500 0.000 0.500
Pr 0.000 0.500 -0.000
Nb 0.500 0.000 -0.000
Nb 0.000 0.500 0.500
O 0.006 0.568 0.271
O 0.506 0.932 0.229
O 0.994 0.432 0.729
O 0.494 0.068 0.771
O 0.219 0.258 0.463
O 0.719 0.242 0.037
O 0.78... |
Below is a description of a material. | The chemical formula is: MgGa.
The XRD pattern shows main peaks at: 22.2°(0.19), 29.0°(0.19), 36.8°(1.0), 41.4°(0.36), 45.4°(0.13), 47.5°(0.11), 54.7°(0.07), 60.0°(0.11), 63.1°(0.2), 72.5°(0.26), 78.2°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-78561 | 3.08 3.08 4.00
90 90 90
Mg 0.500 0.500 0.500
Ga 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: RbTe.
The XRD pattern shows main peaks at: 25.1°(0.28), 29.9°(1.0), 32.4°(0.17), 41.4°(0.14), 44.2°(0.22), 54.3°(0.18), 55.9°(0.21), 56.3°(0.16), 72.5°(0.15), 74.2°(0.07), 84.7°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-126015 | 4.10 4.10 5.52
90 90 120
Rb 0.667 0.333 0.750
Te 0.333 0.667 0.250 |
Below is a description of a material. | The chemical formula is: PrGeRh.
The XRD pattern shows main peaks at: 23.0°(0.05), 26.1°(0.05), 33.4°(0.63), 33.8°(1.0), 34.3°(0.36), 38.0°(0.13), 39.1°(0.34), 39.9°(0.48), 41.2°(0.52), 52.6°(0.06), 53.6°(0.2), 56.3°(0.11), 57.1°(0.22), 63.1°(0.1), 66.3°(0.26), 68.6°(0.14), 72.9°(0.15), 73.3°(0.1), 77.3°(0.1).
Generate... | JVASP-171048 | 4.52 7.52 7.26
90 90 90
Pr 0.250 0.304 0.482
Pr 0.250 0.196 0.982
Pr 0.750 0.696 0.518
Pr 0.750 0.804 0.018
Ge 0.250 0.913 0.315
Ge 0.250 0.587 0.815
Ge 0.750 0.087 0.685
Ge 0.750 0.413 0.185
Rh 0.250 0.913 0.690
Rh 0.250 0.587 0.190
Rh 0.750 0.087 0.310
Rh 0.750 0.413 0.810 |
Below is a description of a material. | The chemical formula is: Na2Ti2O5.
The XRD pattern shows main peaks at: 15.6°(0.75), 20.1°(0.37), 25.3°(0.19), 30.5°(1.0), 30.8°(0.58), 31.5°(0.13), 32.8°(0.3), 35.5°(0.22), 37.3°(0.11), 38.8°(0.09), 47.2°(0.17), 49.3°(0.31), 51.2°(0.11), 52.9°(0.11), 53.8°(0.23), 59.3°(0.14), 60.5°(0.09), 61.3°(0.12), 63.1°(0.12), 63.... | JVASP-49946 | 3.70 6.16 5.76
81 90 72
Na 0.602 0.797 0.351
Na 0.398 0.203 0.649
Ti 0.146 0.708 0.896
Ti 0.854 0.292 0.104
O 0.128 0.745 0.593
O 0.678 0.644 0.004
O 0.322 0.356 0.996
O 0.872 0.255 0.407
O 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: MgAl2Se4.
The XRD pattern shows main peaks at: 6.8°(0.09), 20.6°(0.15), 26.8°(0.55), 27.6°(0.45), 28.8°(1.0), 31.0°(0.96), 32.3°(0.2), 35.2°(0.26), 36.8°(0.16), 46.5°(0.81), 48.1°(0.18), 54.9°(0.35), 55.6°(0.15), 56.9°(0.16), 69.2°(0.12), 75.4°(0.11), 76.5°(0.14), 86.3°(0.13), 87.5°(0.07).
Gene... | JVASP-94865 | 3.91 3.91 13.11
81 81 59
Mg 0.832 0.832 0.503
Al 0.069 0.069 0.792
Al 0.596 0.596 0.213
Se 0.956 0.956 0.131
Se 0.708 0.708 0.875
Se 0.536 0.536 0.392
Se 0.129 0.129 0.614 |
Below is a description of a material. | The chemical formula is: MnNb2S4.
The XRD pattern shows main peaks at: 6.4°(0.18), 12.8°(0.36), 19.3°(0.56), 25.8°(0.08), 32.1°(0.18), 32.7°(1.0), 34.7°(0.5), 37.7°(0.44), 41.6°(0.46), 46.2°(0.34), 57.1°(0.41), 60.9°(0.13), 67.4°(0.11), 73.1°(0.05), 76.5°(0.08).
Generate atomic structure description with lattice length... | JVASP-28434 | 3.22 3.22 13.80
90 90 120
Mn 0.000 0.000 0.000
Nb 0.667 0.333 0.723
Nb 0.333 0.667 0.277
S 0.667 0.333 0.901
S 0.333 0.667 0.099
S 0.667 0.333 0.392
S 0.333 0.667 0.608 |
Below is a description of a material. | The chemical formula is: GeRh2.
The XRD pattern shows main peaks at: 36.2°(0.35), 38.9°(0.19), 39.4°(0.56), 40.2°(0.32), 41.2°(0.89), 41.9°(1.0), 44.7°(0.59), 45.1°(0.11), 48.6°(0.23), 50.9°(0.07), 60.8°(0.1), 61.7°(0.18), 68.1°(0.15), 68.9°(0.07), 75.4°(0.14), 76.8°(0.14), 78.8°(0.07), 80.0°(0.12), 80.5°(0.16), 86.0°(... | JVASP-150910 | 4.05 5.54 7.64
90 90 90
Ge 0.250 0.715 0.604
Ge 0.750 0.785 0.104
Ge 0.750 0.285 0.396
Ge 0.250 0.215 0.896
Rh 0.250 0.028 0.204
Rh 0.750 0.472 0.704
Rh 0.750 0.972 0.796
Rh 0.250 0.528 0.296
Rh 0.250 0.162 0.571
Rh 0.750 0.338 0.071
Rh 0.750 0.838 0.429
Rh 0.250 0.662 0.929 |
Below is a description of a material. | The chemical formula is: Ba2YTi.
The XRD pattern shows main peaks at: 21.3°(0.11), 30.3°(1.0), 43.4°(0.18), 48.9°(0.05), 53.9°(0.39), 63.1°(0.12), 71.6°(0.17), 87.6°(0.2).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-65545 | 5.89 5.89 5.89
60 60 60
Ba 0.250 0.250 0.250
Ba 0.750 0.750 0.750
Y 0.500 0.500 0.500
Ti 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Ba4VZn.
The XRD pattern shows main peaks at: 15.4°(0.41), 25.2°(0.1), 29.7°(1.0), 31.0°(0.74), 36.0°(0.2), 39.3°(0.13), 47.3°(0.38), 51.8°(0.36), 54.3°(0.1), 60.8°(0.14), 61.6°(0.3), 64.6°(0.05), 66.9°(0.06), 72.7°(0.24), 76.2°(0.06), 83.9°(0.07), 84.5°(0.06).
Generate atomic structure descript... | JVASP-63930 | 7.06 7.06 7.06
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
V 0.250 0.250 0.250
Zn 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Ti2ZnN2.
The XRD pattern shows main peaks at: 11.6°(0.48), 31.0°(1.0), 35.3°(0.25), 37.3°(0.89), 41.0°(0.34), 55.2°(0.43), 56.6°(0.07), 59.3°(0.2), 64.6°(0.05), 68.5°(0.32), 70.9°(0.11), 72.2°(0.22), 88.8°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates an... | JVASP-116348 | 3.12 3.12 7.63
90 90 90
Ti 0.500 0.500 0.188
Ti 0.500 0.500 0.812
Zn 0.000 0.000 0.500
N 0.000 0.500 0.670
N 0.500 0.000 0.330 |
Below is a description of a material. | The chemical formula is: Na2AgAs.
The XRD pattern shows main peaks at: 15.7°(0.96), 20.2°(1.0), 22.3°(0.43), 32.9°(0.33), 35.6°(0.95), 36.7°(0.47), 38.0°(0.62), 40.2°(0.5), 41.2°(0.22), 45.4°(0.54), 46.4°(0.19), 54.0°(0.17), 58.9°(0.33), 59.8°(0.12), 63.7°(0.24), 66.2°(0.16), 73.2°(0.16), 78.0°(0.14), 79.0°(0.12), 80.5... | JVASP-149857 | 5.73 5.73 5.65
90 90 99
Na 0.969 0.326 0.750
Na 0.031 0.674 0.250
Na 0.326 0.969 0.750
Na 0.674 0.031 0.250
Ag 0.500 0.500 0.000
Ag 0.500 0.500 0.500
As 0.791 0.791 0.750
As 0.209 0.209 0.250 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.