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: BaPO.
The XRD pattern shows main peaks at: 12.7°(0.63), 25.1°(1.0), 25.5°(0.34), 28.3°(0.38), 36.1°(0.55), 38.2°(0.19), 38.7°(0.11), 44.5°(0.29), 46.7°(0.25), 51.6°(0.14), 53.8°(0.16), 58.3°(0.22), 59.0°(0.08), 59.9°(0.11), 64.6°(0.2), 66.3°(0.08), 72.1°(0.13), 72.8°(0.08), 78.4°(0.07), 87.0°(0... | JVASP-137989 | 3.54 3.54 6.98
90 90 90
Ba 0.000 0.000 0.398
P 0.000 0.000 -0.026
O 0.000 0.000 0.753 |
Below is a description of a material. | The chemical formula is: OsPt.
The XRD pattern shows main peaks at: 37.2°(0.23), 40.0°(0.26), 42.5°(1.0), 55.8°(0.15), 67.2°(0.17), 81.1°(0.2), 82.8°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-189636 | 2.79 2.79 9.02
90 90 120
Os -0.000 -0.000 0.010
Os 0.333 0.667 0.240
Pt 0.000 0.000 0.491
Pt 0.333 0.667 0.759 |
Below is a description of a material. | The chemical formula is: VWC2.
The XRD pattern shows main peaks at: 17.9°(0.5), 34.7°(0.33), 36.3°(1.0), 42.1°(0.65), 46.1°(0.15), 55.7°(0.12), 61.1°(0.41), 73.2°(0.38), 77.0°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-108916 | 5.25 5.25 5.25
33 33 33
V 0.500 0.500 0.500
W 0.000 0.000 0.000
C 0.247 0.247 0.247
C 0.753 0.753 0.753 |
Below is a description of a material. | The chemical formula is: Li5Mn2CoO8.
The XRD pattern shows main peaks at: 18.4°(0.2), 18.9°(1.0), 22.0°(0.07), 24.0°(0.1), 37.2°(0.37), 44.9°(0.62), 49.3°(0.08), 59.2°(0.1), 65.3°(0.16), 66.0°(0.25), 83.6°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-145137 | 4.99 5.66 5.66
60 106 106
Li 0.495 0.267 0.727
Li 0.502 0.751 0.741
Li 0.505 0.733 0.273
Li 0.498 0.249 0.259
Li -0.000 0.500 0.500
Mn -0.000 0.000 -0.000
Mn -0.000 0.500 -0.000
Co -0.000 -0.000 0.500
O 0.222 0.870 0.872
O 0.227 0.363 0.887
O 0.227 0.367 0.361
O 0.227 0.887 0.360
O 0.773 0.633 0.639
O 0.773 0.113 0.640... |
Below is a description of a material. | The chemical formula is: Ba2HfTe.
The XRD pattern shows main peaks at: 29.9°(1.0), 42.8°(0.19), 53.1°(0.4), 62.2°(0.11), 70.5°(0.17), 86.1°(0.2).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-69042 | 5.97 5.97 5.97
60 60 60
Ba 0.250 0.250 0.250
Ba 0.750 0.750 0.750
Hf 0.000 0.000 0.000
Te 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: HeB11.
The XRD pattern shows main peaks at: 20.3°(1.0), 21.9°(0.57), 22.5°(0.21), 24.5°(0.17), 26.7°(0.05), 33.0°(0.09), 35.6°(0.58), 37.5°(0.06), 43.1°(0.4), 45.2°(0.19), 51.3°(0.06), 53.5°(0.1), 57.5°(0.06), 59.5°(0.1), 63.2°(0.13), 65.3°(0.11), 67.9°(0.21), 69.1°(0.16), 75.3°(0.09), 75.9°(0.... | JVASP-125116 | 5.10 5.44 5.10
54 57 54
He -0.016 0.547 -0.016
B 0.006 0.042 0.655
B 0.655 0.042 0.006
B 0.367 0.980 0.008
B 0.986 0.295 0.986
B 0.008 0.980 0.367
B 0.238 0.647 0.238
B 0.222 0.232 0.611
B 0.611 0.232 0.222
B 0.384 0.801 0.786
B 0.755 0.401 0.755
B 0.786 0.801 0.384 |
Below is a description of a material. | The chemical formula is: SnHCl.
The XRD pattern shows main peaks at: 12.5°(0.15), 25.2°(0.31), 25.8°(0.83), 32.0°(0.94), 34.0°(1.0), 38.2°(0.08), 41.2°(0.34), 45.9°(0.35), 50.7°(0.14), 53.1°(0.16), 53.4°(0.27), 57.1°(0.3), 58.3°(0.37), 61.2°(0.09), 66.9°(0.11), 75.3°(0.07), 76.1°(0.42), 77.3°(0.08), 81.7°(0.1), 88.5°(0... | JVASP-118059 | 3.95 3.95 7.07
90 90 90
Sn 0.500 0.000 0.817
Sn 0.000 0.500 0.183
H 0.000 0.000 0.000
H 0.500 0.500 0.000
Cl 0.000 0.500 0.658
Cl 0.500 0.000 0.342 |
Below is a description of a material. | The chemical formula is: BaPtBr.
The XRD pattern shows main peaks at: 20.9°(0.15), 21.9°(0.11), 30.5°(1.0), 36.6°(0.69), 43.1°(0.11), 44.7°(0.12), 48.3°(0.29), 59.1°(0.33), 62.1°(0.28), 65.9°(0.12), 73.5°(0.08), 77.8°(0.07), 83.1°(0.12), 85.0°(0.06), 85.8°(0.12).
Generate atomic structure description with lattice lengt... | JVASP-178616 | 4.91 4.91 4.06
90 90 119
Ba -0.000 -0.000 0.000
Pt 0.667 0.333 0.500
Br 0.333 0.667 0.500 |
Below is a description of a material. | The chemical formula is: ErAlO3.
The XRD pattern shows main peaks at: 24.0°(0.71), 26.9°(0.24), 33.4°(0.2), 34.2°(1.0), 34.8°(0.27), 35.6°(0.18), 41.6°(0.19), 42.8°(0.28), 44.1°(0.09), 49.0°(0.22), 49.4°(0.17), 50.6°(0.16), 55.8°(0.26), 61.0°(0.08), 62.0°(0.27), 67.2°(0.12), 72.1°(0.11), 78.2°(0.09), 82.0°(0.08), 87.8°... | JVASP-50481 | 5.16 5.36 7.38
90 90 90
Er 0.015 0.940 0.750
Er 0.485 0.440 0.750
Er 0.515 0.560 0.250
Er 0.985 0.060 0.250
Al 0.000 0.500 0.000
Al 0.000 0.500 0.500
Al 0.500 0.000 0.000
Al 0.500 0.000 0.500
O 0.798 0.797 0.048
O 0.702 0.297 0.452
O 0.702 0.297 0.048
O 0.593 0.027 0.750
O 0.407 0.973 0.250
O 0.202 0.203 0.548
O 0.298 ... |
Below is a description of a material. | The chemical formula is: Li6MnF8.
The XRD pattern shows main peaks at: 18.8°(0.86), 21.8°(0.27), 31.0°(0.22), 36.5°(0.36), 38.2°(0.18), 44.4°(1.0), 64.6°(0.49), 81.8°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-133684 | 5.77 5.77 5.77
60 60 60
Li 0.500 0.500 -0.000
Li 0.500 0.000 -0.000
Li 0.000 0.000 0.500
Li 0.500 0.000 0.500
Li -0.000 0.500 -0.000
Li -0.000 0.500 0.500
Mn 0.000 0.000 0.000
F 0.757 0.243 0.243
F 0.757 0.757 0.243
F 0.243 0.757 0.243
F 0.757 0.243 0.757
F 0.250 0.250 0.250
F 0.750 0.750 0.750
F 0.243 0.757 0.757
F 0.... |
Below is a description of a material. | The chemical formula is: Tl2Sn2S5.
The XRD pattern shows main peaks at: 16.6°(0.25), 19.3°(0.18), 23.0°(0.19), 24.3°(0.38), 25.7°(0.75), 26.5°(1.0), 30.2°(0.2), 31.1°(0.72), 32.9°(0.23), 35.4°(0.16), 38.3°(0.27), 38.9°(0.18), 42.2°(0.13), 43.4°(0.3), 45.8°(0.25), 47.0°(0.2), 50.5°(0.14), 51.7°(0.21), 53.7°(0.13), 55.9°... | JVASP-10136 | 6.82 6.82 11.66
75 75 69
Tl 0.549 0.892 0.683
Tl 0.451 0.108 0.317
Tl 0.892 0.549 0.183
Tl 0.108 0.451 0.817
Sn 0.749 0.065 0.941
Sn 0.935 0.251 0.559
Sn 0.251 0.935 0.059
Sn 0.065 0.749 0.441
S 0.744 0.649 0.460
S 0.672 0.328 0.750
S 0.256 0.351 0.540
S 0.153 0.876 0.883
S 0.124 0.847 0.617
S 0.847 0.124 0.117
S 0.876... |
Below is a description of a material. | The chemical formula is: Na3GaF6.
The XRD pattern shows main peaks at: 19.0°(0.73), 22.0°(0.8), 31.2°(0.92), 38.5°(0.14), 44.8°(1.0), 50.4°(0.05), 55.6°(0.39), 65.2°(0.54), 82.5°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-109890 | 5.73 5.73 5.73
60 59 60
Na 0.750 0.750 0.750
Na 0.250 0.250 0.250
Na 0.500 0.500 0.500
Ga 0.000 0.000 0.000
F 0.765 0.235 0.235
F 0.235 0.235 0.765
F 0.235 0.765 0.765
F 0.235 0.765 0.235
F 0.765 0.235 0.765
F 0.765 0.765 0.235 |
Below is a description of a material. | The chemical formula is: SmZnPO.
The XRD pattern shows main peaks at: 8.6°(0.19), 26.1°(0.24), 26.6°(0.13), 28.5°(1.0), 29.8°(0.79), 33.1°(0.31), 34.9°(0.38), 39.2°(0.39), 41.5°(0.1), 45.8°(0.7), 54.9°(0.15), 55.6°(0.13), 58.8°(0.41), 61.9°(0.1), 84.8°(0.11).
Generate atomic structure description with lattice lengths, ... | JVASP-26381 | 10.56 10.56 10.56
21 21 21
Sm 0.381 0.381 0.381
Sm 0.619 0.619 0.619
Zn 0.197 0.197 0.197
Zn 0.803 0.803 0.803
P 0.113 0.113 0.113
P 0.887 0.887 0.887
O 0.695 0.695 0.695
O 0.305 0.305 0.305 |
Below is a description of a material. | The chemical formula is: InCo2N2.
The XRD pattern shows main peaks at: 23.7°(0.28), 33.0°(1.0), 33.7°(0.14), 35.9°(0.22), 38.5°(0.06), 43.5°(0.4), 46.3°(0.45), 58.5°(0.28), 61.9°(0.06), 67.7°(0.06), 68.8°(0.1), 70.6°(0.17), 75.6°(0.07), 77.7°(0.1).
Generate atomic structure description with lattice lengths, angles, coo... | JVASP-107381 | 3.16 3.16 8.34
90 67 119
In -0.000 0.000 0.500
Co 0.521 0.260 0.109
Co 0.479 0.740 0.891
N 0.875 0.437 0.844
N 0.125 0.563 0.156 |
Below is a description of a material. | The chemical formula is: NaZn2O3.
The XRD pattern shows main peaks at: 11.4°(0.46), 22.8°(0.12), 33.7°(0.08), 34.6°(0.18), 35.6°(0.51), 41.1°(1.0), 49.0°(0.07), 58.8°(0.31), 60.2°(0.3), 70.0°(0.11), 71.3°(0.14), 71.9°(0.07), 75.5°(0.13), 89.1°(0.09).
Generate atomic structure description with lattice lengths, angles, c... | JVASP-137082 | 3.07 3.07 7.78
90 90 119
Na 0.000 0.000 0.500
Zn 0.667 0.333 0.168
Zn 0.333 0.667 0.832
O 0.667 0.333 0.702
O 0.000 0.000 0.000
O 0.333 0.667 0.298 |
Below is a description of a material. | The chemical formula is: LiMg2.
The XRD pattern shows main peaks at: 11.8°(0.36), 23.6°(0.15), 32.8°(0.24), 33.4°(0.2), 37.5°(1.0), 58.6°(0.18), 64.1°(0.05), 71.7°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-94413 | 3.15 3.15 15.06
90 90 120
Li 0.667 0.333 0.750
Li 0.333 0.667 0.250
Mg 0.333 0.667 0.912
Mg 0.333 0.667 0.588
Mg 0.667 0.333 0.412
Mg 0.667 0.333 0.088 |
Below is a description of a material. | The chemical formula is: ZnPb3.
The XRD pattern shows main peaks at: 20.5°(0.11), 32.0°(1.0), 37.1°(0.49), 53.5°(0.33), 63.7°(0.37), 66.9°(0.12), 87.8°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-39557 | 5.93 5.93 5.93
131 131 70
Zn 0.000 0.000 0.000
Pb 0.750 0.250 0.500
Pb 0.250 0.750 0.500
Pb 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: Ti3Fe2Ru.
The XRD pattern shows main peaks at: 9.9°(0.07), 29.9°(0.07), 42.8°(1.0), 62.0°(0.11), 78.3°(0.21).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-194664 | 2.99 2.99 8.96
90 90 90
Ti 0.000 -0.000 0.000
Ti -0.000 -0.000 0.674
Ti 0.000 0.000 0.326
Fe 0.500 0.500 0.837
Fe 0.500 0.500 0.163
Ru 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Ag2Se.
The XRD pattern shows main peaks at: 22.9°(0.11), 26.1°(0.41), 32.7°(0.13), 39.2°(1.0), 42.1°(0.29), 47.1°(0.16), 47.7°(0.16), 62.9°(0.13), 65.0°(0.16), 68.8°(0.09), 71.1°(0.13), 73.0°(0.06), 82.2°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-86771 | 4.60 7.29 7.72
90 90 90
Ag 0.005 0.100 0.250
Ag 0.995 0.100 0.750
Ag 0.500 0.611 0.000
Ag 0.495 0.900 0.250
Ag 0.000 0.389 0.000
Ag 0.000 0.389 0.500
Ag 0.505 0.900 0.750
Ag 0.500 0.611 0.500
Se 0.521 0.294 0.250
Se 0.479 0.294 0.750
Se 0.021 0.706 0.750
Se 0.979 0.706 0.250 |
Below is a description of a material. | The chemical formula is: SrIn2Pt2.
The XRD pattern shows main peaks at: 17.9°(0.61), 20.0°(0.05), 31.2°(0.99), 32.5°(0.47), 36.2°(1.0), 40.6°(0.35), 44.7°(0.53), 49.4°(0.29), 52.1°(0.44), 55.5°(0.14), 62.0°(0.55), 62.7°(0.06), 71.0°(0.27), 74.6°(0.08), 76.8°(0.13), 79.6°(0.05), 85.1°(0.3), 85.8°(0.05), 87.9°(0.27).
Gen... | JVASP-180093 | 6.08 6.08 6.08
131 131 70
Sr 0.000 0.000 0.000
In 0.356 0.356 -0.000
In 0.644 0.644 -0.000
Pt 0.750 0.250 0.500
Pt 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: Al2VRu.
The XRD pattern shows main peaks at: 25.4°(0.15), 29.4°(0.28), 42.0°(1.0), 49.7°(0.09), 52.1°(0.07), 60.9°(0.16), 69.0°(0.09), 76.7°(0.3).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-183337 | 4.30 4.30 4.30
60 60 60
Al 0.750 0.750 0.750
Al 0.250 0.250 0.250
V 0.500 0.500 0.500
Ru 0.000 0.000 -0.000 |
Below is a description of a material. | The chemical formula is: Th2Ag.
The XRD pattern shows main peaks at: 30.4°(1.0), 33.3°(0.05), 34.8°(0.19), 37.3°(0.3), 38.7°(0.17), 50.9°(0.05), 51.9°(0.14), 54.1°(0.2), 57.7°(0.13), 60.5°(0.18), 68.2°(0.15), 70.1°(0.06), 76.0°(0.07), 82.8°(0.07), 84.6°(0.08), 88.0°(0.06).
Generate atomic structure description with lat... | JVASP-94300 | 5.87 6.13 6.13
76 61 61
Th 0.344 0.500 0.812
Th 0.656 0.500 0.188
Th 0.844 0.812 0.500
Th 0.156 0.188 0.500
Ag 0.750 0.000 0.000
Ag 0.250 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Lu2SO2.
The XRD pattern shows main peaks at: 13.7°(0.06), 27.6°(0.24), 27.9°(0.21), 31.2°(1.0), 39.7°(0.29), 41.9°(0.06), 49.4°(0.3), 51.1°(0.22), 57.5°(0.19), 59.6°(0.17), 64.6°(0.08), 65.1°(0.07), 66.8°(0.09), 73.8°(0.07), 81.0°(0.14), 85.9°(0.07).
Generate atomic structure description with l... | JVASP-7755 | 3.69 3.69 6.46
90 90 119
Lu 0.667 0.333 0.283
Lu 0.333 0.667 0.717
S 0.000 0.000 0.000
O 0.667 0.333 0.629
O 0.333 0.667 0.371 |
Below is a description of a material. | The chemical formula is: Li5Nb2Co3O10.
The XRD pattern shows main peaks at: 12.6°(0.39), 18.1°(1.0), 22.4°(0.23), 26.7°(0.15), 29.5°(0.11), 35.2°(0.24), 35.7°(0.15), 36.5°(0.24), 37.3°(0.2), 42.8°(0.66), 43.2°(0.41), 46.3°(0.06), 61.3°(0.12), 62.5°(0.22), 63.4°(0.1), 77.7°(0.1), 79.5°(0.05).
Generate atomic structure d... | JVASP-141028 | 5.19 5.20 7.79
101 109 100
Li 0.180 0.500 0.407
Li 0.369 0.485 0.798
Li -0.000 0.000 0.500
Li 0.631 0.515 0.202
Li 0.820 0.500 0.593
Nb 0.604 0.994 0.715
Nb 0.396 0.006 0.285
Co 0.190 -0.006 0.910
Co 0.810 0.006 0.090
Co 0.000 0.500 -0.000
O 0.413 0.751 0.056
O 0.794 0.731 0.842
O 0.587 0.249 0.944
O 0.408 0.223 0.544
... |
Below is a description of a material. | The chemical formula is: ErPt.
The XRD pattern shows main peaks at: 20.5°(0.14), 28.7°(0.17), 32.6°(0.71), 34.9°(0.45), 36.6°(1.0), 40.5°(0.94), 42.3°(0.19), 47.2°(0.11), 54.4°(0.25), 55.5°(0.29), 59.9°(0.14), 64.6°(0.14), 67.8°(0.07), 68.4°(0.2), 70.8°(0.39), 72.9°(0.09), 73.4°(0.22), 77.3°(0.08), 79.0°(0.17), 81.9°(0... | JVASP-149798 | 4.48 5.53 6.94
90 90 90
Er 0.750 0.857 0.182
Er 0.250 0.357 0.318
Er 0.250 0.143 0.818
Er 0.750 0.643 0.682
Pt 0.750 0.340 0.045
Pt 0.250 0.840 0.455
Pt 0.250 0.660 0.955
Pt 0.750 0.160 0.545 |
Below is a description of a material. | The chemical formula is: CaInBr3.
The XRD pattern shows main peaks at: 20.7°(0.19), 27.4°(0.35), 27.7°(0.5), 28.4°(0.56), 29.6°(1.0), 30.4°(0.37), 33.0°(0.76), 37.9°(0.16), 39.5°(0.14), 42.2°(0.49), 42.6°(0.33), 44.1°(0.13), 51.1°(0.37), 51.6°(0.18), 53.2°(0.15), 54.9°(0.16), 58.0°(0.19), 61.5°(0.19), 69.5°(0.17), 74.6... | JVASP-12926 | 4.25 7.30 10.87
90 90 106
Ca 0.500 0.000 0.000
Ca 0.500 0.000 0.500
In 0.759 0.518 0.750
In 0.241 0.482 0.250
Br 0.864 0.727 0.452
Br 0.136 0.273 0.548
Br 0.136 0.273 0.952
Br 0.864 0.727 0.048
Br 0.434 0.868 0.750
Br 0.566 0.132 0.250 |
Below is a description of a material. | The chemical formula is: CaAg3.
The XRD pattern shows main peaks at: 22.3°(0.08), 36.7°(1.0), 52.9°(0.17), 66.2°(0.32), 78.1°(0.1), 89.6°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-107898 | 4.89 4.89 4.89
60 60 60
Ca 0.000 0.000 0.000
Ag 0.250 0.250 0.250
Ag 0.750 0.750 0.750
Ag 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Ca2SiO4.
The XRD pattern shows main peaks at: 25.3°(0.11), 31.3°(1.0), 33.2°(0.74), 36.8°(0.14), 39.3°(0.08), 41.4°(0.1), 42.8°(0.12), 45.2°(0.34), 47.3°(0.15), 52.0°(0.18), 55.4°(0.12), 56.6°(0.18), 57.7°(0.3), 59.0°(0.14), 61.8°(0.08), 63.1°(0.21), 64.7°(0.11), 80.4°(0.12), 83.9°(0.07), 87.6°... | JVASP-35128 | 5.76 5.42 7.04
90 90 122
Ca 0.679 0.359 0.336
Ca 0.321 0.641 0.836
Ca -0.000 -0.000 0.086
Ca 0.000 0.000 0.586
Si 0.650 0.300 0.836
Si 0.350 0.700 0.336
O 0.753 0.506 0.025
O 0.247 0.494 0.525
O 0.753 0.506 0.646
O 0.309 0.077 0.836
O 0.768 0.077 0.836
O 0.247 0.494 0.146
O 0.691 0.923 0.336
O 0.232 0.923 0.336 |
Below is a description of a material. | The chemical formula is: FeOF.
The XRD pattern shows main peaks at: 19.1°(0.28), 21.7°(1.0), 23.5°(0.46), 29.7°(0.32), 32.3°(0.49), 36.4°(0.41), 37.2°(0.19), 37.7°(0.37), 38.7°(0.06), 40.6°(0.38), 43.2°(0.13), 47.4°(0.18), 51.8°(0.23), 52.9°(0.44), 55.4°(0.25), 56.6°(0.15), 59.5°(0.15), 65.4°(0.16), 65.9°(0.24), 69.7°(... | JVASP-109910 | 7.51 7.51 4.68
85 85 21
Fe 0.006 0.006 0.005
Fe 0.661 0.661 0.540
Fe 0.342 0.342 0.478
O 0.560 0.560 0.788
O 0.217 0.217 0.692
O 0.445 0.445 0.210
F 0.890 0.890 0.728
F 0.109 0.109 0.304
F 0.770 0.770 0.255 |
Below is a description of a material. | The chemical formula is: Li2BeBi.
The XRD pattern shows main peaks at: 22.9°(0.25), 24.0°(1.0), 30.0°(0.26), 38.0°(0.38), 40.8°(0.24), 42.9°(0.13), 46.7°(0.05), 49.1°(0.15), 49.7°(0.29), 56.5°(0.1), 60.7°(0.17), 63.7°(0.07), 65.2°(0.08), 67.2°(0.06), 67.7°(0.06), 70.6°(0.05), 75.3°(0.11), 79.9°(0.08), 83.6°(0.07), 89.0... | JVASP-67974 | 4.90 4.90 4.90
129 129 74
Li 0.000 0.000 0.000
Li 0.250 0.750 0.500
Be 0.500 0.500 0.000
Bi 0.750 0.250 0.500 |
Below is a description of a material. | The chemical formula is: Ce.
The XRD pattern shows main peaks at: 30.9°(0.08), 32.0°(0.47), 32.5°(0.39), 35.0°(1.0), 39.7°(0.24), 45.5°(0.05), 52.2°(0.11), 55.0°(0.27), 65.4°(0.29), 66.9°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-25158 | 3.34 3.34 11.03
90 90 120
Ce 0.000 0.000 0.000
Ce 0.000 0.000 0.500
Ce 0.333 0.667 0.250
Ce 0.667 0.333 0.750 |
Below is a description of a material. | The chemical formula is: CaPrRh2.
The XRD pattern shows main peaks at: 22.1°(0.16), 36.4°(1.0), 43.0°(0.07), 52.5°(0.19), 65.6°(0.38), 77.4°(0.11), 88.7°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-99757 | 4.93 4.93 4.93
60 60 60
Ca 0.500 0.500 0.500
Pr 0.000 0.000 0.000
Rh 0.250 0.250 0.250
Rh 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: BaAl2Si2.
The XRD pattern shows main peaks at: 17.2°(0.25), 18.5°(0.36), 21.9°(0.32), 23.8°(0.11), 28.0°(1.0), 30.8°(0.51), 33.3°(0.8), 34.2°(0.4), 34.9°(0.07), 38.7°(0.11), 41.4°(0.23), 45.6°(0.07), 49.7°(0.19), 50.1°(0.2), 52.5°(0.2), 54.7°(0.14), 55.5°(0.13), 59.6°(0.11), 67.4°(0.08), 70.3°(... | JVASP-86640 | 4.37 5.85 10.29
90 90 111
Ba 0.087 0.173 0.750
Ba 0.913 0.827 0.250
Al 0.380 0.760 0.965
Al 0.620 0.240 0.465
Al 0.620 0.240 0.035
Al 0.380 0.760 0.535
Si 0.200 0.400 0.368
Si 0.800 0.600 0.868
Si 0.200 0.400 0.132
Si 0.800 0.600 0.632 |
Below is a description of a material. | The chemical formula is: Er2AgOs.
The XRD pattern shows main peaks at: 36.8°(1.0), 53.0°(0.18), 66.3°(0.32), 78.3°(0.1), 89.7°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-110783 | 4.89 4.89 4.89
60 60 60
Er 0.250 0.250 0.250
Er 0.750 0.750 0.750
Ag 0.500 0.500 0.500
Os 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Sc3InB.
The XRD pattern shows main peaks at: 19.0°(0.19), 27.0°(0.29), 33.2°(1.0), 38.6°(0.53), 43.3°(0.11), 47.7°(0.12), 55.7°(0.35), 59.4°(0.05), 66.4°(0.37), 69.8°(0.11), 76.3°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-7905 | 4.67 4.67 4.67
90 90 90
Sc 0.000 0.500 0.500
Sc 0.500 0.500 0.000
Sc 0.500 0.000 0.500
In 0.000 0.000 0.000
B 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: NaMgO.
The XRD pattern shows main peaks at: 12.5°(0.08), 25.4°(1.0), 36.2°(0.43), 44.7°(0.09), 46.4°(0.09), 52.2°(0.11), 53.7°(0.05), 58.5°(0.12), 58.9°(0.18), 64.8°(0.08), 82.2°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-114353 | 3.51 3.51 7.07
90 90 90
Na 0.000 0.000 0.716
Mg 0.000 0.000 0.259
O 0.000 0.000 0.004 |
Below is a description of a material. | The chemical formula is: TlSbS2.
The XRD pattern shows main peaks at: 23.0°(0.28), 23.7°(0.5), 24.3°(0.63), 24.8°(0.57), 28.8°(0.13), 29.7°(1.0), 30.5°(0.25), 31.0°(0.48), 31.3°(0.25), 35.9°(0.13), 37.4°(0.15), 37.9°(0.24), 38.2°(0.26), 39.7°(0.33), 44.8°(0.11), 45.2°(0.22), 46.2°(0.09), 49.7°(0.11), 50.9°(0.12), 53.6°... | JVASP-12884 | 6.18 6.46 11.91
102 97 104
Tl 0.898 0.718 0.081
Tl 0.102 0.282 0.919
Tl 0.432 0.695 0.334
Tl 0.568 0.305 0.666
Sb 0.603 0.216 0.160
Sb 0.044 0.214 0.410
Sb 0.397 0.784 0.840
Sb 0.956 0.786 0.590
S 0.021 0.191 0.640
S 0.979 0.809 0.360
S 0.362 0.777 0.615
S 0.638 0.223 0.385
S -0.013 0.779 0.824
S 0.418 0.816 0.094
S 0.... |
Below is a description of a material. | The chemical formula is: WN.
The XRD pattern shows main peaks at: 35.6°(1.0), 41.4°(0.61), 59.9°(0.44), 71.7°(0.42), 75.4°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-78672 | 3.09 3.09 3.09
59 60 60
W 0.000 0.000 0.000
N 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: BaPbCl.
The XRD pattern shows main peaks at: 19.1°(0.69), 22.0°(0.1), 31.4°(1.0), 37.0°(0.42), 45.0°(0.17), 49.2°(0.19), 55.8°(0.39), 59.6°(0.14), 65.5°(0.11), 68.9°(0.14), 74.4°(0.17), 77.6°(0.06), 86.1°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-66296 | 5.70 5.70 5.70
60 60 60
Ba 0.750 0.750 0.750
Pb 0.500 0.500 0.500
Cl 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: TaTeCl.
The XRD pattern shows main peaks at: 20.3°(0.52), 29.7°(0.49), 35.5°(1.0), 36.2°(0.26), 41.2°(0.09), 46.9°(0.9), 51.6°(0.1), 61.6°(0.06), 63.8°(0.16), 71.9°(0.24), 73.1°(0.23), 75.2°(0.1), 82.8°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and a... | JVASP-136431 | 5.06 5.06 3.01
90 90 120
Ta 0.333 0.667 0.000
Te 0.667 0.333 0.000
Cl 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Ti3Tl.
The XRD pattern shows main peaks at: 20.2°(0.21), 24.1°(0.56), 31.1°(0.14), 37.4°(1.0), 37.8°(0.19), 41.0°(0.19), 44.6°(0.29), 49.4°(0.09), 51.4°(0.16), 57.0°(0.06), 59.9°(0.11), 62.2°(0.22), 65.0°(0.09), 72.3°(0.14), 77.4°(0.22), 79.7°(0.1).
Generate atomic structure description with la... | JVASP-194050 | 5.26 5.26 5.26
134 134 66
Tl 0.000 0.000 0.000
Ti 0.750 0.250 0.500
Ti 0.250 0.750 0.500
Ti 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: ErNbO4.
The XRD pattern shows main peaks at: 19.2°(0.14), 28.6°(1.0), 30.1°(0.91), 32.7°(0.25), 34.0°(0.23), 35.2°(0.18), 47.9°(0.39), 48.8°(0.31), 51.7°(0.13), 55.9°(0.14), 56.7°(0.29), 58.3°(0.14), 59.3°(0.14), 60.9°(0.12), 62.5°(0.09).
Generate atomic structure description with lattice lengt... | JVASP-9712 | 5.11 5.29 6.52
112 111 94
Er 0.378 0.628 0.757
Er 0.622 0.372 0.243
Nb 0.858 0.108 0.716
Nb 0.142 0.892 0.284
O 0.991 0.781 0.563
O 0.571 0.282 0.563
O 0.009 0.219 0.437
O 0.429 0.718 0.437
O 0.215 0.377 0.925
O 0.710 0.049 0.925
O 0.785 0.623 0.075
O 0.290 0.951 0.075 |
Below is a description of a material. | The chemical formula is: HfTiB4.
The XRD pattern shows main peaks at: 13.1°(0.81), 26.4°(0.39), 33.5°(0.74), 36.1°(0.45), 40.1°(0.07), 43.2°(1.0), 53.2°(0.16), 54.4°(0.09), 59.9°(0.19), 61.7°(0.1), 65.4°(0.23), 66.6°(0.17), 70.5°(0.09), 76.7°(0.18), 85.2°(0.15).
Generate atomic structure description with lattice length... | JVASP-109736 | 3.09 3.09 6.75
90 90 120
Hf 0.000 0.000 0.000
Ti 0.000 0.000 0.500
B 0.667 0.333 0.737
B 0.667 0.333 0.263
B 0.333 0.667 0.737
B 0.333 0.667 0.263 |
Below is a description of a material. | The chemical formula is: BeZnCr.
The XRD pattern shows main peaks at: 14.1°(0.63), 28.5°(0.27), 41.2°(0.2), 43.3°(0.25), 43.8°(1.0), 50.8°(0.5), 61.3°(0.13), 74.4°(0.2), 75.1°(0.14), 82.2°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-67010 | 2.53 2.53 6.27
90 90 120
Be 0.000 0.000 0.989
Zn 0.667 0.333 0.326
Cr 0.333 0.667 0.685 |
Below is a description of a material. | The chemical formula is: La2LuSc.
The XRD pattern shows main peaks at: 9.7°(0.19), 26.0°(0.14), 31.2°(1.0), 34.3°(0.41), 39.6°(0.13), 49.3°(0.14), 53.4°(0.21), 59.5°(0.33), 65.0°(0.12), 80.8°(0.07), 82.5°(0.06), 85.7°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-187083 | 3.70 3.70 9.11
90 90 90
Sc 0.500 0.500 0.000
Lu 0.500 0.500 0.500
La 0.000 -0.000 0.759
La -0.000 0.000 0.241 |
Below is a description of a material. | The chemical formula is: MgZn2Rh3.
The XRD pattern shows main peaks at: 9.7°(0.1), 29.2°(0.11), 41.9°(1.0), 60.6°(0.15), 76.4°(0.26).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-188751 | 3.06 3.06 9.10
90 90 90
Mg 0.500 0.500 0.500
Zn 0.500 0.500 0.836
Zn 0.500 0.500 0.164
Rh -0.000 -0.000 -0.000
Rh 0.000 -0.000 0.675
Rh -0.000 0.000 0.325 |
Below is a description of a material. | The chemical formula is: HoAgHg2.
The XRD pattern shows main peaks at: 36.1°(1.0), 52.0°(0.16), 64.9°(0.36), 76.6°(0.1), 87.7°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-79903 | 4.98 4.98 4.98
60 60 60
Ho 0.750 0.750 0.750
Ag 0.250 0.250 0.250
Hg 0.500 0.500 0.500
Hg 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: LiTi2S4.
The XRD pattern shows main peaks at: 15.2°(0.69), 29.3°(0.32), 35.5°(1.0), 51.0°(0.7), 63.7°(0.2), 75.1°(0.09), 85.8°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-59878 | 7.16 7.16 7.16
119 119 90
Li 0.375 0.625 0.750
Li 0.625 0.375 0.250
Ti 0.000 0.500 0.000
Ti 0.000 -0.000 0.500
Ti 0.500 -0.000 0.500
Ti 0.000 0.000 0.000
S 0.757 0.772 0.515
S 0.757 0.243 0.985
S 0.228 0.243 0.985
S 0.243 0.228 0.485
S 0.243 0.757 0.485
S 0.243 0.757 0.015
S 0.757 0.243 0.515
S 0.772 0.757 0.015 |
Below is a description of a material. | The chemical formula is: Ti2GaFe.
The XRD pattern shows main peaks at: 42.0°(1.0), 61.0°(0.15), 76.8°(0.31).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-80740 | 4.30 4.30 4.30
60 60 60
Ti 0.000 0.000 0.000
Ti 0.750 0.750 0.750
Ga 0.250 0.250 0.250
Fe 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: HfTaTc2.
The XRD pattern shows main peaks at: 27.7°(0.09), 39.6°(1.0), 57.3°(0.17), 71.9°(0.35), 85.3°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-190111 | 3.22 4.55 4.55
90 90 90
Hf 0.500 0.500 0.500
Tc -0.000 0.000 0.500
Tc 0.000 0.500 0.000
Ta 0.500 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Sm2NiIr.
The XRD pattern shows main peaks at: 22.2°(0.13), 36.6°(1.0), 43.3°(0.07), 52.8°(0.2), 66.0°(0.4), 77.9°(0.12), 89.3°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-40567 | 4.90 4.90 4.90
60 60 60
Sm 0.000 0.000 0.000
Sm 0.500 0.500 0.500
Ni 0.750 0.750 0.750
Ir 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: LiCrPO4.
The XRD pattern shows main peaks at: 20.4°(0.26), 20.8°(0.44), 21.5°(1.0), 22.0°(0.51), 24.6°(0.58), 25.7°(0.33), 26.0°(0.32), 28.3°(0.92), 28.7°(0.66), 32.3°(0.92), 34.9°(0.48), 35.6°(0.62), 36.7°(0.44), 37.4°(0.25), 38.5°(0.18), 42.5°(0.2), 49.2°(0.2), 50.5°(0.21), 53.5°(0.24), 64.2°... | JVASP-44514 | 5.18 4.95 7.62
82 76 57
Li 0.343 0.316 0.835
Li 0.662 0.667 0.313
Cr 0.047 -0.040 0.533
Cr -0.017 -0.025 -0.021
P 0.299 0.368 0.240
P 0.682 0.660 0.728
O 0.767 0.298 0.763
O 0.065 0.281 0.351
O 0.174 0.525 0.063
O 0.627 0.063 0.186
O -0.008 0.650 0.718
O 0.428 0.879 0.886
O 0.550 0.799 0.557
O 0.314 0.609 0.340 |
Below is a description of a material. | The chemical formula is: PI5.
The XRD pattern shows main peaks at: 10.5°(1.0), 14.1°(0.49), 20.6°(0.48), 21.1°(0.1), 27.6°(0.56), 28.5°(0.22), 30.4°(0.15), 32.0°(0.18), 33.3°(0.27), 34.9°(0.11), 43.3°(0.17), 44.7°(0.06), 45.7°(0.12), 48.1°(0.08), 49.9°(0.14), 53.6°(0.08), 54.8°(0.12), 57.5°(0.05), 60.9°(0.06).
Generate... | JVASP-139204 | 6.27 8.45 8.38
90 90 90
P 0.820 0.000 0.500
I 0.724 0.000 0.182
I 0.733 0.681 0.500
I 0.733 0.319 0.500
I 0.210 0.000 0.500
I 0.724 0.000 0.818 |
Below is a description of a material. | The chemical formula is: USnPt.
The XRD pattern shows main peaks at: 23.1°(0.39), 26.8°(0.12), 38.2°(1.0), 45.2°(0.23), 55.2°(0.2), 60.7°(0.07), 69.1°(0.37), 81.9°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-18779 | 4.71 4.71 4.71
60 60 60
U 0.000 0.000 0.000
Sn 0.500 0.500 0.500
Pt 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: USe3.
The XRD pattern shows main peaks at: 9.4°(0.52), 17.6°(0.21), 18.9°(0.17), 20.0°(0.3), 23.2°(0.18), 27.8°(0.15), 29.5°(1.0), 32.9°(0.19), 35.2°(0.2), 35.7°(0.2), 38.5°(0.27), 40.2°(0.42), 40.7°(0.12), 42.0°(0.18), 42.5°(0.34), 44.2°(0.1), 44.9°(0.15), 45.7°(0.22), 62.0°(0.1), 76.0°(0.11).... | JVASP-4231 | 5.50 3.97 9.47
90 98 90
U 0.291 0.750 0.166
U 0.709 0.250 0.834
Se 0.914 0.750 0.666
Se 0.086 0.250 0.334
Se 0.236 0.250 0.944
Se 0.764 0.750 0.056
Se 0.579 0.250 0.332
Se 0.421 0.750 0.668 |
Below is a description of a material. | The chemical formula is: BaLi8.
The XRD pattern shows main peaks at: 3.9°(1.0), 7.8°(0.24), 11.8°(0.1), 15.7°(0.06), 31.0°(0.07), 31.8°(0.07), 33.0°(0.05), 34.7°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-130657 | 3.36 3.36 22.59
90 90 119
Ba 0.667 0.333 0.110
Li 0.000 0.000 0.247
Li 0.000 0.000 -0.026
Li 0.333 0.667 0.455
Li 0.667 0.333 0.560
Li 0.667 0.333 0.352
Li 0.000 0.000 0.767
Li 0.333 0.667 0.870
Li 0.333 0.667 0.663 |
Below is a description of a material. | The chemical formula is: Tb2AlFe3.
The XRD pattern shows main peaks at: 20.9°(0.33), 34.6°(0.71), 40.8°(1.0), 42.6°(0.13), 61.9°(0.28), 66.2°(0.19), 72.7°(0.15), 73.2°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-110159 | 5.17 5.17 5.17
60 60 60
Tb 0.622 0.622 0.622
Tb 0.378 0.378 0.378
Al 0.000 0.000 0.000
Fe -0.000 0.500 -0.000
Fe 0.500 -0.000 -0.000
Fe 0.000 0.000 0.500 |
Below is a description of a material. | The chemical formula is: N.
The XRD pattern shows main peaks at: 30.1°(1.0), 34.9°(0.46), 50.2°(0.23), 59.6°(0.21), 62.6°(0.06), 81.6°(0.07), 84.2°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-21212 | 5.14 5.14 5.14
90 90 90
N 0.500 0.000 0.500
N 0.000 0.500 0.500
N -0.000 -0.000 -0.000
N 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: Ca4Sb2O.
The XRD pattern shows main peaks at: 19.7°(0.29), 21.9°(0.2), 25.2°(0.39), 26.9°(0.56), 29.1°(0.32), 33.1°(0.24), 33.6°(0.17), 35.0°(1.0), 38.5°(0.55), 43.6°(0.14), 44.7°(0.06), 51.6°(0.24), 55.5°(0.2), 63.9°(0.1), 67.3°(0.27).
Generate atomic structure description with lattice lengths... | JVASP-3243 | 4.68 4.68 8.76
105 105 90
Ca 0.665 0.665 0.330
Ca 0.335 0.335 0.670
Ca 0.500 0.000 -0.000
Ca -0.000 0.500 -0.000
Sb 0.860 0.860 0.721
Sb 0.140 0.140 0.279
O 0.500 0.500 -0.000 |
Below is a description of a material. | The chemical formula is: HfScOs2.
The XRD pattern shows main peaks at: 13.7°(0.11), 27.6°(0.08), 30.9°(0.06), 39.4°(1.0), 56.9°(0.16), 71.4°(0.34), 84.7°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-190879 | 3.24 3.24 6.46
90 90 90
Sc 0.500 0.500 0.500
Hf 0.500 0.500 0.000
Os 0.000 0.000 0.753
Os -0.000 -0.000 0.247 |
Below is a description of a material. | The chemical formula is: BaBeTe.
The XRD pattern shows main peaks at: 19.8°(1.0), 22.5°(0.51), 27.8°(0.32), 30.0°(0.68), 34.3°(0.37), 36.2°(0.62), 40.2°(0.15), 43.5°(0.11), 46.6°(0.14), 48.3°(0.18), 49.6°(0.14), 51.0°(0.23), 52.4°(0.11), 54.6°(0.12), 56.6°(0.18), 58.7°(0.2), 60.8°(0.09), 68.1°(0.11), 70.0°(0.12), 70.5°... | JVASP-115522 | 6.75 4.16 4.48
90 90 107
Ba 0.450 0.077 0.000
Be 0.074 0.389 0.000
Te -0.114 -0.205 0.000 |
Below is a description of a material. | The chemical formula is: FeTe2.
The XRD pattern shows main peaks at: 27.0°(0.21), 28.5°(0.17), 31.9°(1.0), 33.2°(0.67), 33.8°(0.18), 43.8°(0.52), 46.7°(0.23), 49.4°(0.29), 52.6°(0.09), 58.5°(0.29), 59.3°(0.13), 60.1°(0.11), 61.3°(0.09), 69.6°(0.11), 77.3°(0.07), 79.4°(0.1), 82.8°(0.1), 84.7°(0.07), 88.0°(0.11), 88.8°(0... | JVASP-7925 | 3.89 5.30 6.28
90 90 90
Fe 0.000 0.000 0.000
Fe 0.500 0.500 0.500
Te 0.000 0.227 0.361
Te 0.000 0.773 0.639
Te 0.500 0.273 0.861
Te 0.500 0.727 0.139 |
Below is a description of a material. | The chemical formula is: Hf2Te3.
The XRD pattern shows main peaks at: 13.4°(0.14), 15.3°(0.1), 17.1°(0.09), 25.4°(0.13), 28.8°(0.84), 37.4°(1.0), 44.8°(0.55), 48.9°(0.14), 54.2°(0.16), 55.7°(0.08), 59.8°(0.24), 74.1°(0.11), 82.6°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-107061 | 7.75 7.75 7.75
53 53 53
Hf 0.000 0.000 0.000
Hf 0.340 0.340 0.340
Hf 0.660 0.660 0.660
Hf 0.500 0.500 0.500
Te 0.928 0.576 0.232
Te 0.576 0.232 0.928
Te 0.232 0.928 0.576
Te 0.768 0.072 0.424
Te 0.424 0.768 0.072
Te 0.072 0.424 0.768 |
Below is a description of a material. | The chemical formula is: PaAu.
The XRD pattern shows main peaks at: 34.8°(1.0), 39.7°(0.31), 41.8°(0.15), 57.3°(0.12), 59.0°(0.23), 68.8°(0.28), 71.8°(0.12), 73.4°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-156766 | 3.21 4.55 4.32
90 90 45
Pa 0.000 0.500 0.500
Au 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: CaNO.
The XRD pattern shows main peaks at: 21.6°(1.0), 25.1°(0.25), 33.4°(0.23), 44.2°(0.36), 49.8°(0.43), 51.4°(0.07), 56.5°(0.05), 64.2°(0.19), 85.2°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-117981 | 4.09 4.09 4.11
90 90 120
Ca 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: Mg6NbCo.
The XRD pattern shows main peaks at: 16.1°(0.51), 18.5°(0.29), 24.7°(0.22), 31.1°(0.09), 32.5°(0.12), 35.2°(0.42), 36.5°(0.1), 37.7°(0.95), 40.1°(1.0), 41.1°(0.09), 49.6°(0.13), 50.5°(0.07), 52.5°(0.24), 59.8°(0.18), 64.9°(0.08), 67.9°(0.12), 69.5°(0.18), 72.8°(0.19), 77.5°(0.24).
Gene... | JVASP-94132 | 6.21 5.75 4.79
90 90 117
Mg 0.645 0.323 0.250
Mg 0.645 0.821 0.250
Mg 0.333 0.166 0.750
Mg 0.333 0.666 0.750
Mg 0.887 0.194 0.750
Mg 0.846 0.673 0.750
Nb 0.141 0.821 0.250
Co 0.171 0.335 0.250 |
Below is a description of a material. | The chemical formula is: HfNiSn2.
The XRD pattern shows main peaks at: 14.5°(0.08), 24.6°(0.08), 28.6°(0.09), 35.0°(0.73), 38.5°(1.0), 50.3°(0.25), 60.6°(0.06), 65.1°(0.44), 71.9°(0.13), 73.9°(0.08), 82.6°(0.1), 84.5°(0.12), 86.6°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates an... | JVASP-186612 | 3.63 3.63 6.11
90 90 90
Hf 0.500 0.500 0.641
Ni -0.000 0.000 0.865
Sn 0.000 -0.000 0.401
Sn 0.500 0.500 0.103 |
Below is a description of a material. | The chemical formula is: NaMn.
The XRD pattern shows main peaks at: 16.5°(0.3), 33.3°(0.34), 35.6°(0.29), 39.5°(1.0), 49.6°(0.21), 63.7°(0.2), 64.0°(0.13), 74.1°(0.16), 77.9°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-126239 | 2.91 2.91 5.38
90 90 119
Na 0.333 0.667 0.250
Mn 0.667 0.333 0.750 |
Below is a description of a material. | The chemical formula is: SrWN2.
The XRD pattern shows main peaks at: 15.4°(0.37), 31.0°(0.42), 32.6°(0.13), 33.9°(0.96), 38.5°(1.0), 53.7°(0.35), 57.4°(0.29), 63.3°(0.18), 64.7°(0.06), 66.7°(0.3), 68.4°(0.14), 71.3°(0.16), 82.5°(0.1), 86.1°(0.08).
Generate atomic structure description with lattice lengths, angles, coor... | JVASP-186895 | 6.06 6.06 6.06
30 30 30
Sr 0.000 0.000 0.000
W 0.500 0.500 0.500
N 0.769 0.769 0.769
N 0.231 0.231 0.231 |
Below is a description of a material. | The chemical formula is: ZrBe2In.
The XRD pattern shows main peaks at: 27.0°(0.62), 28.6°(1.0), 39.8°(1.0), 40.9°(0.46), 49.7°(0.44), 55.6°(0.09), 59.3°(0.16), 63.8°(0.19), 66.3°(0.18), 67.1°(0.16), 71.3°(0.17), 73.8°(0.33), 85.7°(0.12), 88.8°(0.05).
Generate atomic structure description with lattice lengths, angles, c... | JVASP-74237 | 3.12 3.12 6.61
90 90 90
Zr 0.500 0.500 0.500
Be 0.000 0.000 0.762
Be 0.000 0.000 0.238
In 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: BaErFe4O7.
The XRD pattern shows main peaks at: 17.1°(0.11), 28.1°(0.6), 33.1°(1.0), 34.6°(0.19), 49.7°(0.22), 53.0°(0.36), 58.1°(0.37).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-143747 | 6.35 6.35 6.35
60 60 60
Ba 0.750 0.750 0.750
Er 0.000 0.000 0.000
Fe 0.380 0.380 0.380
Fe 0.380 0.380 0.860
Fe 0.380 0.860 0.380
Fe 0.860 0.380 0.380
O 0.753 0.247 0.247
O 0.247 0.753 0.753
O 0.247 0.753 0.247
O 0.753 0.247 0.753
O 0.247 0.247 0.753
O 0.753 0.753 0.247
O 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: Ti3In.
The XRD pattern shows main peaks at: 17.4°(0.08), 25.5°(0.24), 30.4°(0.1), 35.2°(0.24), 37.6°(0.27), 40.1°(1.0), 49.1°(0.05), 51.1°(0.07), 52.4°(0.13), 63.2°(0.16), 69.5°(0.18), 75.9°(0.18), 77.5°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and ... | JVASP-39955 | 5.89 5.89 4.79
90 90 119
Ti 0.164 0.836 0.750
Ti 0.672 0.836 0.750
Ti 0.164 0.328 0.750
Ti 0.836 0.164 0.250
Ti 0.328 0.164 0.250
Ti 0.836 0.672 0.250
In 0.333 0.667 0.250
In 0.667 0.333 0.750 |
Below is a description of a material. | The chemical formula is: BaSr2Y2Cu2PtO10.
The XRD pattern shows main peaks at: 12.4°(0.13), 14.9°(0.12), 17.2°(0.27), 25.0°(0.17), 27.4°(0.33), 28.8°(0.14), 31.3°(0.43), 32.7°(1.0), 37.9°(0.16), 39.9°(0.14), 40.5°(0.17), 42.6°(0.09), 43.4°(0.11), 45.8°(0.11), 46.6°(0.11), 50.0°(0.13), 56.6°(0.18), 65.4°(0.08), 68.5°(0.... | JVASP-173965 | 5.71 6.81 7.40
104 90 65
Ba 0.651 0.699 0.969
Sr 0.499 0.001 0.501
Sr 0.349 0.301 0.032
Y 0.811 0.378 0.373
Y 0.189 0.621 0.627
Cu 0.085 0.831 0.305
Cu 0.915 0.170 0.695
Pt 0.001 0.997 0.000
O 0.746 0.044 0.219
O 0.210 0.044 0.219
O 0.249 0.964 0.783
O 0.786 0.964 0.783
O 0.834 0.332 0.048
O 0.173 0.654 0.952
O 0.412 0... |
Below is a description of a material. | The chemical formula is: HoB6.
The XRD pattern shows main peaks at: 21.8°(0.7), 31.0°(1.0), 38.2°(0.42), 44.4°(0.21), 49.9°(0.51), 55.1°(0.3), 64.5°(0.1), 69.0°(0.29), 73.3°(0.21), 77.5°(0.14), 85.8°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-54991 | 4.08 4.08 4.08
90 90 90
Ho 0.000 0.000 0.000
B 0.199 0.500 0.500
B 0.500 0.801 0.500
B 0.500 0.199 0.500
B 0.801 0.500 0.500
B 0.500 0.500 0.199
B 0.500 0.500 0.801 |
Below is a description of a material. | The chemical formula is: CdPdF6.
The XRD pattern shows main peaks at: 23.6°(1.0), 31.9°(0.48), 35.3°(0.19), 40.0°(0.06), 42.9°(0.21), 48.3°(0.13), 52.1°(0.34), 54.6°(0.09), 56.7°(0.17), 61.2°(0.14), 63.3°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-3264 | 5.67 5.67 5.67
53 53 53
Cd 0.500 0.500 0.500
Pd 0.000 0.000 0.000
F 0.398 0.054 0.781
F 0.054 0.781 0.398
F 0.219 0.602 0.946
F 0.946 0.219 0.602
F 0.602 0.946 0.219
F 0.781 0.398 0.054 |
Below is a description of a material. | The chemical formula is: CsNiF3.
The XRD pattern shows main peaks at: 23.8°(0.97), 28.8°(1.0), 34.3°(0.1), 37.7°(0.78), 38.3°(0.36), 48.1°(0.23), 48.6°(0.33), 51.1°(0.18), 55.5°(0.09), 57.5°(0.32), 59.7°(0.21), 63.7°(0.15), 65.2°(0.15), 73.2°(0.12), 79.6°(0.11), 82.4°(0.1).
Generate atomic structure description with la... | JVASP-25614 | 6.20 6.20 5.23
90 90 120
Cs 0.333 0.667 0.250
Cs 0.667 0.333 0.750
Ni 0.000 0.000 0.000
Ni 0.000 0.000 0.500
F 0.145 0.290 0.750
F 0.290 0.145 0.250
F 0.710 0.855 0.750
F 0.855 0.145 0.250
F 0.855 0.710 0.250
F 0.145 0.855 0.750 |
Below is a description of a material. | The chemical formula is: TcMoW2.
The XRD pattern shows main peaks at: 14.0°(0.1), 31.7°(0.06), 40.4°(1.0), 58.6°(0.13), 73.5°(0.27), 87.4°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-188389 | 3.15 3.15 6.33
90 90 90
Mo 0.000 0.000 0.493
Tc 0.500 0.500 0.757
W 0.000 0.000 0.996
W 0.500 0.500 0.253 |
Below is a description of a material. | The chemical formula is: NaMnBi.
The XRD pattern shows main peaks at: 11.6°(0.19), 22.9°(1.0), 28.0°(0.28), 30.7°(0.09), 36.7°(0.6), 40.0°(0.29), 40.7°(0.26), 45.6°(0.06), 46.6°(0.33), 52.0°(0.05), 57.9°(0.1), 58.4°(0.18), 63.1°(0.08), 63.9°(0.08), 64.4°(0.06), 65.5°(0.06), 70.6°(0.18), 77.4°(0.08), 78.6°(0.07), 86.8°(... | JVASP-18328 | 4.51 4.51 7.63
90 90 90
Na 0.000 0.500 0.659
Na 0.500 0.000 0.341
Mn 0.000 0.000 0.000
Mn 0.500 0.500 0.000
Bi 0.000 0.500 0.228
Bi 0.500 0.000 0.772 |
Below is a description of a material. | The chemical formula is: TaBe4Fe.
The XRD pattern shows main peaks at: 25.1°(1.0), 29.0°(0.22), 41.5°(0.71), 49.1°(0.61), 51.5°(0.07), 60.2°(0.1), 66.2°(0.19), 75.8°(0.24), 81.3°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-188576 | 4.35 4.35 4.35
59 59 60
Be 0.625 0.124 0.625
Be 0.124 0.625 0.625
Be 0.625 0.625 0.625
Be 0.625 0.625 0.124
Fe 0.250 0.250 0.250
Ta -0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: BC.
The XRD pattern shows main peaks at: 37.1°(1.0), 38.2°(0.7), 54.3°(0.36), 69.1°(0.29), 79.0°(0.07), 81.1°(0.37).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-137777 | 2.72 2.72 2.42
90 90 120
B 0.000 0.000 0.000
C 0.333 0.667 0.000 |
Below is a description of a material. | The chemical formula is: Ca2AcCe.
The XRD pattern shows main peaks at: 18.1°(0.07), 20.9°(0.47), 29.7°(1.0), 36.6°(0.15), 42.6°(0.19), 47.9°(0.23), 52.8°(0.43), 61.8°(0.13), 66.0°(0.11), 70.0°(0.17), 74.0°(0.07), 81.7°(0.05), 85.5°(0.21).
Generate atomic structure description with lattice lengths, angles, coordinates a... | JVASP-161365 | 6.01 6.01 6.01
60 60 60
Ca 0.000 0.000 0.000
Ca 0.500 0.500 0.500
Ac 0.250 0.250 0.250
Ce 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: SrHN.
The XRD pattern shows main peaks at: 15.0°(1.0), 16.8°(0.19), 21.3°(0.44), 22.6°(0.38), 27.3°(0.23), 30.3°(0.18), 34.0°(0.31), 34.9°(0.12), 37.4°(0.15), 38.1°(0.19), 40.5°(0.13), 43.4°(0.06), 46.2°(0.13), 48.8°(0.22), 52.0°(0.09), 56.2°(0.1), 60.8°(0.07), 63.6°(0.06), 74.1°(0.07), 81.6°(0... | JVASP-134960 | 5.90 5.90 5.27
90 90 90
Sr 0.000 0.000 0.634
H 0.000 0.000 0.042
N 0.000 0.000 0.232 |
Below is a description of a material. | The chemical formula is: V2O3F2.
The XRD pattern shows main peaks at: 14.9°(0.63), 25.1°(0.97), 25.6°(1.0), 28.0°(0.28), 30.1°(0.54), 30.9°(0.69), 31.4°(0.66), 34.8°(0.41), 37.2°(0.35), 42.1°(0.23), 42.5°(0.39), 45.9°(0.21), 52.1°(0.22), 53.0°(0.18), 55.3°(0.24), 55.9°(0.78), 56.4°(0.26), 57.1°(0.28), 66.5°(0.22), 68.2... | JVASP-48571 | 4.73 5.33 6.59
104 111 88
V 0.901 0.299 0.804
V 0.594 0.233 0.196
V 0.406 0.767 0.804
V 0.099 0.701 0.196
O 0.864 0.370 0.097
O 0.720 0.867 0.087
O 0.450 0.520 0.281
O 0.550 0.480 0.719
O 0.280 0.133 0.913
O 0.136 0.630 0.903
F 0.901 0.242 0.498
F 0.671 0.967 0.704
F 0.329 0.033 0.296
F 0.099 0.758 0.502 |
Below is a description of a material. | The chemical formula is: Be2CoCl.
The XRD pattern shows main peaks at: 22.9°(0.99), 29.0°(0.19), 38.0°(0.49), 44.2°(0.07), 44.8°(1.0), 46.8°(0.22), 54.8°(0.26), 60.1°(0.21), 61.8°(0.2), 74.8°(0.17), 81.2°(0.08), 85.5°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-70109 | 4.55 4.55 4.55
136 136 62
Be 0.000 0.000 0.000
Be 0.500 0.500 0.000
Co 0.750 0.250 0.500
Cl 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: LuCdHg2.
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-39904 | 5.02 5.02 5.02
60 60 60
Lu 0.750 0.750 0.750
Cd 0.250 0.250 0.250
Hg 0.000 0.000 0.000
Hg 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: ZrSiS.
The XRD pattern shows main peaks at: 21.9°(0.33), 27.3°(1.0), 33.1°(0.23), 35.5°(0.54), 37.3°(0.37), 42.1°(0.99), 44.6°(0.09), 51.1°(0.46), 51.7°(0.09), 56.2°(0.11), 58.9°(0.25), 62.2°(0.15), 62.8°(0.18), 68.1°(0.39), 70.1°(0.09), 75.2°(0.14), 84.6°(0.07), 85.1°(0.16), 86.0°(0.08), 87.0°... | JVASP-15288 | 3.57 3.57 8.13
90 90 90
Zr 0.500 0.000 0.729
Zr 0.000 0.500 0.271
Si 0.500 0.500 0.000
Si 0.000 0.000 0.000
S 0.000 0.500 0.622
S 0.500 0.000 0.378 |
Below is a description of a material. | The chemical formula is: AlPPt.
The XRD pattern shows main peaks at: 23.6°(1.0), 32.2°(0.22), 40.3°(0.7), 41.5°(0.55), 48.3°(0.16), 53.5°(0.33), 59.3°(0.24), 65.6°(0.12), 72.5°(0.09), 74.9°(0.23), 75.7°(0.09), 82.4°(0.15), 84.7°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and ... | JVASP-180775 | 4.35 4.35 2.78
90 90 120
Al -0.000 -0.000 -0.000
P 0.333 0.667 0.500
Pt 0.667 0.333 0.500 |
Below is a description of a material. | The chemical formula is: Zr5Tc.
The XRD pattern shows main peaks at: 7.5°(0.1), 35.6°(1.0), 38.8°(0.42), 41.2°(0.06), 56.0°(0.15), 68.1°(0.29).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-188589 | 3.29 3.29 11.78
90 90 90
Tc 0.500 0.500 0.000
Zr -0.000 -0.000 0.865
Zr 0.000 0.000 0.135
Zr 0.500 0.500 0.682
Zr 0.500 0.500 0.318
Zr 0.000 -0.000 0.500 |
Below is a description of a material. | The chemical formula is: Rh2O3F.
The XRD pattern shows main peaks at: 26.5°(0.68), 28.1°(0.62), 34.6°(1.0), 39.0°(0.24), 52.2°(0.42), 54.1°(0.41), 54.6°(0.11), 58.2°(0.09), 59.0°(0.11), 62.5°(0.08), 65.0°(0.08), 65.8°(0.09), 66.6°(0.1), 67.9°(0.25), 73.1°(0.08), 78.9°(0.06), 83.4°(0.07), 84.6°(0.06), 87.6°(0.06).
Gener... | JVASP-180629 | 3.13 4.62 4.62
86 90 90
Rh 0.000 0.016 0.016
Rh 0.500 0.485 0.485
O 0.500 0.197 0.197
O 0.000 0.307 0.695
O 0.000 0.695 0.307
F 0.500 0.801 0.801 |
Below is a description of a material. | The chemical formula is: LiPb2.
The XRD pattern shows main peaks at: 18.4°(0.42), 21.3°(0.54), 26.0°(0.32), 31.1°(1.0), 33.9°(0.66), 36.4°(0.26), 37.2°(0.46), 38.9°(0.27), 43.4°(0.08), 49.7°(0.13), 54.9°(0.27), 57.2°(0.09), 61.5°(0.14), 64.9°(0.13), 65.7°(0.13), 66.5°(0.12), 67.2°(0.06), 71.5°(0.05).
Generate atomic st... | JVASP-179615 | 5.65 3.67 4.63
90 66 71
Li 0.946 0.842 0.016
Pb 0.284 0.173 0.347
Pb 0.609 0.511 0.685 |
Below is a description of a material. | The chemical formula is: Cu3Xe.
The XRD pattern shows main peaks at: 20.9°(0.1), 29.7°(0.08), 36.6°(1.0), 42.5°(0.5), 61.6°(0.31), 73.8°(0.34), 77.7°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-127033 | 4.26 4.26 4.26
90 90 90
Cu 0.000 0.500 0.500
Cu 0.500 0.000 0.500
Cu 0.500 0.500 0.000
Xe 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: AlPd2.
The XRD pattern shows main peaks at: 24.5°(0.18), 27.9°(0.21), 29.5°(0.37), 35.6°(0.46), 38.1°(0.23), 39.5°(0.7), 40.1°(0.36), 40.9°(1.0), 41.2°(0.73), 44.2°(0.66), 48.0°(0.3), 51.3°(0.11), 59.7°(0.13), 61.2°(0.22), 67.3°(0.21), 69.5°(0.09), 74.6°(0.19), 77.2°(0.15), 79.1°(0.14), 86.2°(0... | JVASP-20808 | 4.10 5.49 7.86
90 90 90
Al 0.750 0.301 0.605
Al 0.250 0.699 0.395
Al 0.750 0.801 0.895
Al 0.250 0.199 0.105
Pd 0.750 0.959 0.210
Pd 0.250 0.041 0.790
Pd 0.750 0.459 0.290
Pd 0.250 0.541 0.710
Pd 0.750 0.835 0.567
Pd 0.250 0.165 0.433
Pd 0.750 0.335 0.933
Pd 0.250 0.665 0.067 |
Below is a description of a material. | The chemical formula is: ZrScTcNi.
The XRD pattern shows main peaks at: 24.0°(0.11), 39.6°(1.0), 57.3°(0.18), 71.9°(0.32), 85.4°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-192772 | 4.55 4.55 4.55
60 60 60
Sc 0.500 0.500 0.500
Ni 0.250 0.250 0.250
Tc 0.750 0.750 0.750
Zr 0.000 -0.000 -0.000 |
Below is a description of a material. | The chemical formula is: K2CuSbCl6.
The XRD pattern shows main peaks at: 17.3°(0.87), 24.6°(0.87), 35.0°(1.0), 39.3°(0.4), 43.3°(0.36), 50.4°(0.65), 62.8°(0.2), 74.0°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-99479 | 7.25 7.25 7.25
60 60 60
K 0.750 0.750 0.750
K 0.250 0.250 0.250
Cu 0.500 0.500 0.500
Sb 0.000 0.000 0.000
Cl 0.741 0.259 0.259
Cl 0.259 0.259 0.741
Cl 0.259 0.741 0.741
Cl 0.259 0.741 0.259
Cl 0.741 0.259 0.741
Cl 0.741 0.741 0.259 |
Below is a description of a material. | The chemical formula is: RbLaTiNbO6F.
The XRD pattern shows main peaks at: 7.9°(0.96), 15.8°(0.08), 28.1°(1.0), 32.0°(0.15), 32.8°(0.51), 33.4°(0.08), 36.6°(0.16), 39.8°(0.13), 40.3°(0.1), 46.4°(0.31), 47.2°(0.17), 52.9°(0.09), 55.5°(0.22), 55.8°(0.23), 58.2°(0.06), 63.4°(0.09), 68.6°(0.1), 77.8°(0.09), 86.6°(0.05), 87... | JVASP-146210 | 3.85 3.89 11.19
90 90 90
Rb 0.500 0.500 0.515
La 0.500 0.500 -0.001
Ti 0.000 0.000 0.791
Nb 0.000 0.000 0.209
O 0.000 0.000 0.639
O 0.000 0.000 0.370
O 0.500 0.000 0.830
O 0.500 0.000 0.165
O 0.000 0.500 0.163
O 0.000 0.000 0.995
F 0.000 0.500 0.825 |
Below is a description of a material. | The chemical formula is: Rh3Br.
The XRD pattern shows main peaks at: 39.3°(1.0), 45.7°(0.48), 66.6°(0.31), 80.1°(0.35), 84.5°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-126548 | 3.97 3.97 3.97
90 90 90
Rh 0.000 0.000 0.500
Rh 0.500 0.500 0.500
Rh 0.500 0.000 0.000
Br 0.000 0.500 0.000 |
Below is a description of a material. | The chemical formula is: Be2InCl.
The XRD pattern shows main peaks at: 13.3°(0.58), 27.0°(1.0), 33.1°(0.6), 37.3°(0.1), 39.7°(0.78), 43.0°(0.3), 46.4°(0.13), 53.7°(0.15), 55.1°(0.17), 55.6°(0.07), 56.2°(0.27), 61.0°(0.31), 64.5°(0.16), 69.0°(0.07), 71.1°(0.12), 80.5°(0.15), 85.6°(0.1).
Generate atomic structure descrip... | JVASP-74271 | 7.10 7.10 7.10
152 152 39
Be 0.000 0.000 0.000
Be 0.250 0.750 0.500
In 0.750 0.250 0.500
Cl 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: TiPd.
The XRD pattern shows main peaks at: 28.2°(0.2), 40.3°(1.0), 49.9°(0.06), 58.3°(0.16), 65.9°(0.08), 73.2°(0.34), 87.0°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-16606 | 3.17 3.17 3.17
90 90 90
Ti 0.500 0.500 0.500
Pd 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Cd2H.
The XRD pattern shows main peaks at: 15.0°(0.15), 29.5°(0.76), 30.2°(0.57), 31.8°(1.0), 41.5°(0.08), 42.7°(0.43), 43.9°(0.89), 46.0°(0.08), 51.8°(0.09), 54.6°(0.11), 55.6°(0.09), 57.5°(0.1), 61.2°(0.09), 63.3°(0.15), 66.0°(0.14), 69.8°(0.11), 70.6°(0.2), 74.3°(0.1), 77.8°(0.06), 86.5°(0.0... | JVASP-138525 | 6.72 3.03 5.92
90 151 90
Cd -0.078 0.000 -0.068
Cd 0.423 0.000 0.001
H -0.077 0.000 0.274 |
Below is a description of a material. | The chemical formula is: SrPd.
The XRD pattern shows main peaks at: 15.7°(0.2), 22.5°(0.12), 30.0°(1.0), 31.8°(0.3), 37.6°(0.96), 39.7°(0.33), 42.9°(0.29), 51.7°(0.19), 52.6°(0.08), 54.3°(0.09), 58.3°(0.18), 59.9°(0.19), 61.5°(0.16), 66.1°(0.1), 69.3°(0.08), 70.1°(0.07), 70.7°(0.25), 75.2°(0.1), 75.7°(0.19), 86.3°(0.06... | JVASP-37084 | 4.21 4.54 6.04
90 69 90
Sr 0.139 0.750 0.722
Sr 0.861 0.250 0.278
Pd 0.425 0.750 0.150
Pd 0.575 0.250 0.850 |
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