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: Yb3In.
The XRD pattern shows main peaks at: 32.5°(1.0), 46.6°(0.17), 58.0°(0.39), 68.1°(0.12), 77.5°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-37515 | 5.51 5.51 5.51
60 60 60
Yb 0.000 0.000 0.000
Yb 0.500 0.500 0.500
Yb 0.250 0.250 0.250
In 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: TaIn.
The XRD pattern shows main peaks at: 26.2°(0.05), 37.4°(1.0), 54.0°(0.16), 67.5°(0.36), 79.8°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-128252 | 3.40 3.40 3.40
90 90 90
Ta 0.000 0.000 0.000
In 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Yb2InHg.
The XRD pattern shows main peaks at: 33.9°(1.0), 48.7°(0.17), 60.7°(0.39), 71.4°(0.12), 81.5°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-79404 | 5.28 5.28 5.28
60 60 60
Yb 0.000 0.000 0.000
Yb 0.500 0.500 0.500
In 0.750 0.750 0.750
Hg 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: CrO.
The XRD pattern shows main peaks at: 30.1°(0.08), 34.3°(0.13), 34.8°(1.0), 43.1°(0.13), 56.2°(0.36), 61.7°(0.16), 62.6°(0.13), 73.6°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-110310 | 4.20 5.23 4.19
90 90 90
Cr 0.400 0.900 0.500
Cr 0.400 0.400 -0.000
Cr 0.900 0.900 0.000
Cr 0.900 0.400 0.500
O 0.650 0.150 0.250
O 0.150 0.150 0.750
O 0.650 0.650 0.250
O 0.150 0.650 0.750 |
Below is a description of a material. | The chemical formula is: Li2ZnSnS4.
The XRD pattern shows main peaks at: 17.2°(0.75), 17.8°(1.0), 22.2°(0.26), 26.1°(0.56), 26.4°(0.37), 27.8°(0.56), 28.8°(0.19), 29.6°(0.53), 32.0°(0.13), 32.9°(0.33), 36.7°(0.15), 38.5°(0.22), 40.4°(0.17), 44.2°(0.19), 45.7°(0.25), 46.4°(0.6), 50.4°(0.53), 55.0°(0.31), 71.2°(0.1), 80.... | JVASP-111167 | 6.75 6.41 10.21
51 90 90
Li 0.666 0.707 0.681
Li 0.163 0.961 0.428
Li 0.334 0.707 0.181
Li 0.837 0.961 0.928
Zn 0.672 0.207 0.179
Zn 0.328 0.207 0.679
Sn 0.829 0.456 0.430
Sn 0.171 0.456 0.930
S 0.342 0.330 0.180
S 0.177 0.079 0.927
S 0.330 0.840 0.678
S 0.831 0.577 0.934
S 0.169 0.577 0.434
S 0.823 0.079 0.427
S 0.670... |
Below is a description of a material. | The chemical formula is: KMnSn3O8.
The XRD pattern shows main peaks at: 12.1°(0.59), 16.8°(0.29), 17.3°(0.37), 24.3°(0.18), 26.8°(0.45), 27.4°(0.55), 33.8°(1.0), 35.0°(0.12), 36.5°(0.14), 37.8°(0.17), 38.9°(0.05), 45.2°(0.26), 46.1°(0.3), 53.7°(0.12), 55.1°(0.22), 55.8°(0.22), 57.1°(0.17), 63.7°(0.17), 64.6°(0.16).
Gen... | JVASP-141448 | 7.57 7.57 10.57
45 45 24
K 0.489 0.489 0.002
Mn 0.170 0.170 0.184
Sn 0.824 0.824 0.831
Sn 0.655 0.655 0.501
Sn 0.357 0.357 0.481
O 0.180 0.180 0.355
O 0.816 0.816 0.644
O 0.455 0.455 0.695
O 0.553 0.553 0.301
O 0.189 0.189 0.976
O 0.803 0.803 0.046
O 0.857 0.857 0.345
O 0.152 0.152 0.638 |
Below is a description of a material. | The chemical formula is: NdHSe.
The XRD pattern shows main peaks at: 22.2°(0.08), 28.0°(1.0), 34.1°(0.82), 42.7°(0.3), 45.2°(0.59), 54.0°(0.16), 57.9°(0.18), 63.9°(0.2), 65.9°(0.26), 73.0°(0.12), 76.3°(0.17), 81.7°(0.13), 83.5°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and a... | JVASP-168751 | 4.01 4.01 8.02
90 90 120
Nd 0.667 0.333 0.750
Nd 0.333 0.667 0.250
H 0.667 0.333 0.250
H 0.333 0.667 0.750
Se 0.000 -0.000 0.000
Se 0.000 -0.000 0.500 |
Below is a description of a material. | The chemical formula is: ThInPt.
The XRD pattern shows main peaks at: 23.3°(0.12), 26.9°(0.09), 31.7°(0.87), 34.5°(1.0), 35.9°(0.36), 40.9°(0.35), 42.1°(0.26), 43.1°(0.26), 47.6°(0.05), 49.7°(0.13), 54.6°(0.18), 57.3°(0.17), 61.0°(0.21), 65.4°(0.29), 67.9°(0.1), 71.9°(0.08), 73.6°(0.11), 75.3°(0.11).
Generate atomic st... | JVASP-150110 | 7.64 7.64 4.19
90 90 120
Th 0.588 0.000 0.500
Th 0.000 0.588 0.500
Th 0.412 0.412 0.500
In 0.249 0.000 0.000
In 0.000 0.249 0.000
In 0.751 0.751 0.000
Pt 0.333 0.667 0.000
Pt 0.667 0.333 0.000
Pt 1.000 1.000 0.500 |
Below is a description of a material. | The chemical formula is: K4CO4.
The XRD pattern shows main peaks at: 23.9°(0.34), 29.4°(0.97), 34.1°(1.0), 38.3°(0.08), 42.1°(0.95), 49.0°(0.52), 55.2°(0.07), 58.2°(0.38), 61.0°(0.12), 63.8°(0.07), 66.5°(0.15), 74.3°(0.1), 76.9°(0.34), 79.4°(0.09), 86.8°(0.05).
Generate atomic structure description with lattice lengths... | JVASP-34262 | 5.26 5.26 5.26
90 90 90
K 0.213 0.787 0.787
K 0.213 0.213 0.213
K 0.787 0.787 0.213
K 0.787 0.213 0.787
C 0.500 0.500 0.500
O 0.341 0.659 0.341
O 0.659 0.341 0.341
O 0.659 0.659 0.659
O 0.341 0.341 0.659 |
Below is a description of a material. | The chemical formula is: Zn2InGaO5.
The XRD pattern shows main peaks at: 15.6°(0.09), 31.2°(0.38), 33.2°(0.14), 34.9°(1.0), 36.9°(0.08), 55.1°(0.43), 66.9°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-141934 | 3.33 3.33 22.67
90 90 120
Zn 0.667 0.333 0.135
Zn 0.667 0.333 0.365
Zn 0.333 0.667 0.635
Zn 0.333 0.667 0.865
In 0.000 0.000 0.000
In 0.000 0.000 0.500
Ga 0.000 0.000 0.250
Ga 0.000 0.000 0.750
O 0.333 0.667 0.750
O 0.000 0.000 0.662
O 0.333 0.667 0.548
O 0.667 0.333 0.452
O 0.667 0.333 0.048
O 0.667 0.333 0.250
O 0.00... |
Below is a description of a material. | The chemical formula is: AgAsS.
The XRD pattern shows main peaks at: 11.1°(0.69), 22.2°(0.07), 32.8°(1.0), 33.6°(0.43), 34.7°(0.21), 40.0°(0.07), 47.0°(0.35), 47.7°(0.65), 48.5°(0.08), 57.1°(0.09), 59.1°(0.31), 67.4°(0.05), 68.7°(0.11), 78.2°(0.15), 78.7°(0.15), 87.9°(0.23).
Generate atomic structure description with l... | JVASP-115633 | 2.73 2.73 7.99
90 90 90
Ag 0.000 0.000 0.347
As 0.000 0.000 0.025
S 0.000 0.000 0.659 |
Below is a description of a material. | The chemical formula is: BaNbSe4.
The XRD pattern shows main peaks at: 29.8°(0.39), 35.1°(1.0), 36.7°(0.28), 52.9°(0.15), 56.4°(0.33), 61.9°(0.25), 70.3°(0.06), 73.2°(0.1), 74.2°(0.11), 85.8°(0.08), 88.7°(0.21).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-65726 | 5.99 5.99 5.99
60 60 60
Ba 0.250 0.250 0.250
Nb 0.000 0.000 0.000
Se 0.121 0.626 0.626
Se 0.626 0.626 0.626
Se 0.626 0.121 0.626
Se 0.626 0.626 0.121 |
Below is a description of a material. | The chemical formula is: Cr.
The XRD pattern shows main peaks at: 40.6°(0.37), 42.1°(0.25), 47.0°(1.0), 59.9°(0.15), 77.0°(0.14), 78.5°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-14827 | 2.48 2.48 4.44
90 90 120
Cr 0.333 0.667 0.750
Cr 0.667 0.333 0.250 |
Below is a description of a material. | The chemical formula is: ScBiO3.
The XRD pattern shows main peaks at: 22.0°(0.64), 24.6°(0.12), 30.4°(0.22), 31.3°(1.0), 32.1°(0.22), 37.8°(0.15), 39.2°(0.17), 44.8°(0.23), 45.7°(0.05), 50.6°(0.23), 51.5°(0.06), 54.5°(0.12), 55.2°(0.1), 56.2°(0.11), 56.6°(0.22), 65.3°(0.11).
Generate atomic structure description with l... | JVASP-165730 | 5.59 5.89 8.07
89 90 90
Sc -0.000 0.500 -0.000
Sc -0.000 0.500 0.500
Sc 0.500 -0.000 -0.000
Sc 0.500 -0.000 0.500
Bi 0.011 0.047 0.250
Bi 0.489 0.547 0.250
Bi 0.511 0.453 0.750
Bi 0.989 0.953 0.750
O 0.113 0.537 0.750
O 0.185 0.808 0.054
O 0.185 0.808 0.446
O 0.315 0.308 0.054
O 0.315 0.308 0.446
O 0.387 0.037 0.750
O ... |
Below is a description of a material. | The chemical formula is: CaLaSi4.
The XRD pattern shows main peaks at: 13.1°(0.28), 21.3°(0.34), 26.5°(0.09), 28.5°(0.52), 31.8°(1.0), 39.3°(0.44), 41.2°(0.36), 51.9°(0.18), 58.3°(0.25), 59.7°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-108800 | 7.41 7.41 7.41
145 145 49
Ca 0.250 0.750 0.500
La 0.000 0.000 0.000
Si 0.664 0.164 0.500
Si 0.586 0.586 0.000
Si 0.836 0.336 0.500
Si 0.414 0.414 -0.000 |
Below is a description of a material. | The chemical formula is: Mn4BeSb.
The XRD pattern shows main peaks at: 22.9°(0.3), 26.5°(0.31), 37.9°(0.29), 44.7°(1.0), 46.8°(0.38), 60.0°(0.07), 61.7°(0.1), 68.4°(0.1), 73.2°(0.31), 80.9°(0.2), 87.0°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-65176 | 4.75 4.75 4.75
60 60 60
Mn 0.122 0.626 0.626
Mn 0.626 0.626 0.626
Mn 0.626 0.122 0.626
Mn 0.626 0.626 0.122
Be 0.000 0.000 0.000
Sb 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: TaS2.
The XRD pattern shows main peaks at: 14.8°(0.95), 30.0°(0.07), 30.5°(0.39), 34.1°(1.0), 43.3°(0.64), 45.6°(0.07), 54.2°(0.22), 55.9°(0.22), 56.5°(0.19), 65.6°(0.15), 70.9°(0.08), 71.8°(0.14), 73.5°(0.11), 81.6°(0.08), 87.1°(0.12), 88.5°(0.07).
Generate atomic structure description with la... | JVASP-593 | 3.38 3.38 5.97
90 90 119
Ta 0.000 0.000 0.000
S 0.333 0.667 0.257
S 0.667 0.333 0.743 |
Below is a description of a material. | The chemical formula is: La2CCl.
The XRD pattern shows main peaks at: 12.1°(0.17), 24.4°(0.19), 27.9°(0.75), 31.4°(1.0), 33.7°(0.28), 36.9°(0.18), 39.4°(0.18), 42.7°(0.23), 47.1°(0.37), 53.5°(0.14), 55.7°(0.12), 57.7°(0.17), 61.3°(0.24).
Generate atomic structure description with lattice lengths, angles, coordinates an... | JVASP-165100 | 7.64 7.64 7.64
29 29 29
La 0.232 0.232 0.232
La 0.768 0.768 0.768
C 0.500 0.500 0.500
Cl -0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: La7Os4C9.
The XRD pattern shows main peaks at: 7.9°(0.06), 18.1°(0.13), 26.2°(0.05), 27.7°(0.3), 28.7°(0.07), 31.8°(0.71), 32.3°(1.0), 33.0°(0.56), 34.3°(0.16), 36.4°(0.06), 40.7°(0.06), 46.6°(0.2), 53.8°(0.09), 56.3°(0.06), 57.6°(0.07), 58.5°(0.17), 64.6°(0.1), 69.2°(0.06).
Generate atomic str... | JVASP-154940 | 6.60 6.60 12.00
71 71 48
La 0.628 0.628 0.156
La 0.000 0.000 0.000
La 0.147 0.147 0.679
La 0.853 0.853 0.321
La 0.137 0.137 0.383
La 0.863 0.863 0.617
La 0.372 0.372 0.844
Os 0.433 0.433 0.429
Os 0.567 0.567 0.571
Os 0.357 0.357 0.141
Os 0.643 0.643 0.859
C 0.500 0.500 -0.000
C 0.078 0.078 0.180
C 0.922 0.922 0.820
C 0... |
Below is a description of a material. | The chemical formula is: ZrCuF2.
The XRD pattern shows main peaks at: 16.2°(0.3), 32.7°(0.16), 33.3°(1.0), 41.3°(0.69), 44.2°(0.74), 44.7°(0.09), 50.0°(0.12), 53.7°(0.15), 58.8°(0.05), 59.9°(0.22), 66.8°(0.2), 70.3°(0.22), 76.1°(0.13), 77.4°(0.24), 81.7°(0.11).
Generate atomic structure description with lattice lengths... | JVASP-120995 | 3.09 3.09 5.47
90 90 90
Zr 0.500 0.500 0.546
Cu 0.000 0.000 0.899
F 0.000 0.000 0.395
F 0.500 0.500 0.171 |
Below is a description of a material. | The chemical formula is: Te8Mo3W.
The XRD pattern shows main peaks at: 2.3°(1.0), 4.6°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-29063 | 3.57 3.57 38.03
90 89 120
Te 0.333 0.667 0.330
Te 0.333 0.667 0.705
Te 0.667 0.333 0.047
Te 0.667 0.333 0.422
Te 0.667 0.333 0.142
Te 0.667 0.333 0.517
Te 0.333 0.667 0.234
Te 0.333 0.667 0.609
Mo 0.333 0.667 0.095
Mo 0.667 0.333 0.282
Mo 0.667 0.333 0.657
W 0.333 0.667 0.469 |
Below is a description of a material. | The chemical formula is: NiAg2O2.
The XRD pattern shows main peaks at: 10.6°(0.23), 32.3°(0.4), 35.8°(0.14), 36.4°(0.27), 38.5°(0.34), 40.1°(1.0), 43.6°(0.09), 44.0°(0.29), 51.6°(0.24), 64.0°(0.5), 73.5°(0.2), 78.3°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-4930 | 8.48 8.48 8.48
19 19 19
Ni 0.000 0.000 0.000
Ag 0.787 0.787 0.787
Ag 0.213 0.213 0.213
O 0.373 0.373 0.373
O 0.627 0.627 0.627 |
Below is a description of a material. | The chemical formula is: BaMnF4.
The XRD pattern shows main peaks at: 19.0°(0.29), 23.7°(0.36), 26.2°(1.0), 27.4°(0.29), 28.1°(0.48), 29.9°(0.28), 31.3°(0.14), 38.5°(0.21), 39.6°(0.42), 41.0°(0.46), 42.1°(0.32), 47.4°(0.16), 48.9°(0.1), 51.0°(0.26), 51.4°(0.17), 51.9°(0.11), 52.5°(0.12), 57.0°(0.13), 58.3°(0.11), 68.2°... | JVASP-34642 | 4.29 5.98 7.81
90 105 90
Ba 0.847 0.952 0.694
Ba 0.153 0.452 0.306
Mn 0.414 0.495 0.827
Mn 0.586 0.995 0.173
F 0.922 0.513 0.843
F 0.078 0.013 0.157
F 0.463 0.840 0.927
F 0.537 0.340 0.073
F 0.702 0.198 0.403
F 0.298 0.698 0.597
F 0.670 0.721 0.340
F 0.330 0.221 0.660 |
Below is a description of a material. | The chemical formula is: Li2TlIn.
The XRD pattern shows main peaks at: 22.4°(0.14), 25.9°(1.0), 37.0°(0.98), 45.8°(0.29), 53.4°(0.15), 60.3°(0.38), 66.7°(0.35), 84.7°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-104851 | 4.86 4.86 4.86
60 60 60
Li 0.250 0.250 0.250
Li 0.750 0.750 0.750
Tl 0.000 0.000 0.000
In 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: SrNb2NiClO7.
The XRD pattern shows main peaks at: 7.7°(0.93), 22.5°(0.62), 23.1°(0.41), 27.3°(0.75), 31.0°(0.06), 32.0°(1.0), 32.5°(0.87), 35.7°(0.1), 39.0°(0.08), 39.8°(0.05), 45.1°(0.2), 45.8°(0.59), 52.0°(0.15), 54.2°(0.22), 57.3°(0.39), 61.8°(0.08), 66.8°(0.17), 71.8°(0.05), 76.0°(0.15), 84... | JVASP-147081 | 3.96 3.96 11.53
90 90 90
Sr 0.500 0.500 0.000
Nb 0.000 0.000 0.816
Nb 0.000 0.000 0.184
Ni 0.000 0.000 0.500
Cl 0.500 0.500 0.500
O 0.500 0.000 0.163
O 0.000 0.000 0.650
O 0.500 0.000 0.837
O 0.000 0.000 0.350
O 0.000 0.500 0.163
O 0.000 0.500 0.837
O 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: YSi2Rh3.
The XRD pattern shows main peaks at: 18.4°(0.09), 20.2°(0.06), 24.8°(0.15), 31.1°(0.56), 37.4°(1.0), 41.1°(0.61), 45.4°(0.55), 50.8°(0.15), 54.6°(0.05), 56.7°(0.21), 63.5°(0.13), 64.7°(0.22), 67.4°(0.21), 73.0°(0.07), 76.1°(0.08), 79.7°(0.11), 85.0°(0.07), 88.5°(0.06), 89.0°(0.06).
Gen... | JVASP-151700 | 6.62 6.62 6.62
130 114 86
Y 0.250 0.542 0.292
Y 0.750 0.458 0.708
Si 0.079 0.883 0.804
Si 0.421 0.225 0.804
Si 0.579 0.775 0.196
Si 0.921 0.117 0.196
Rh 0.715 0.000 0.715
Rh 0.785 0.500 0.285
Rh 0.285 -0.000 0.285
Rh 0.215 0.500 0.715
Rh -0.000 -0.000 0.500
Rh 0.500 0.000 -0.000 |
Below is a description of a material. | The chemical formula is: Zr2MnFe3.
The XRD pattern shows main peaks at: 36.4°(0.45), 42.9°(1.0), 45.0°(0.23), 65.5°(0.13), 70.0°(0.26), 77.1°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-178483 | 4.93 4.93 4.95
90 60 120
Zr 0.501 0.750 0.749
Zr 0.999 1.000 0.001
Mn 0.750 0.375 0.875
Fe 0.250 0.375 0.375
Fe 0.250 0.875 0.375
Fe 0.750 0.375 0.375 |
Below is a description of a material. | The chemical formula is: Ba4NiP.
The XRD pattern shows main peaks at: 16.0°(0.59), 26.3°(0.07), 30.9°(1.0), 32.4°(0.72), 37.5°(0.26), 41.0°(0.16), 49.4°(0.38), 54.1°(0.37), 56.8°(0.13), 63.7°(0.12), 64.5°(0.32), 67.7°(0.06), 70.1°(0.07), 76.3°(0.24), 80.1°(0.06), 88.3°(0.07), 89.0°(0.07).
Generate atomic structure desc... | JVASP-66248 | 6.78 6.78 6.78
60 60 60
Ba 0.124 0.625 0.625
Ba 0.625 0.625 0.625
Ba 0.625 0.124 0.625
Ba 0.625 0.625 0.124
Ni 0.250 0.250 0.250
P 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: TaI4.
The XRD pattern shows main peaks at: 10.9°(0.19), 13.2°(0.66), 13.6°(0.45), 15.0°(0.17), 15.8°(0.22), 16.8°(0.2), 27.1°(0.31), 27.9°(1.0), 28.9°(0.49), 29.5°(0.21), 29.9°(0.3), 32.0°(0.17), 35.0°(0.13), 38.8°(0.14), 39.8°(0.21), 40.9°(0.21), 41.4°(0.24), 43.1°(0.31), 44.0°(0.32), 53.7°(0.... | JVASP-31884 | 7.09 10.68 10.76
79 90 75
Ta 0.114 0.911 0.834
Ta 0.886 0.089 0.166
Ta 0.189 0.672 0.720
Ta 0.811 0.328 0.280
I 0.920 0.543 0.664
I 0.655 0.291 0.505
I 0.969 0.321 0.029
I 0.753 0.053 0.922
I 0.510 0.239 0.170
I 0.125 0.095 0.365
I 0.031 0.679 0.971
I 0.080 0.457 0.336
I 0.345 0.709 0.495
I 0.796 0.869 0.285
I 0.204 0.... |
Below is a description of a material. | The chemical formula is: HfSiNi.
The XRD pattern shows main peaks at: 26.2°(0.46), 30.3°(0.82), 43.4°(1.0), 51.4°(0.23), 53.9°(0.22), 63.1°(0.17), 71.6°(0.29), 79.7°(0.34).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-40799 | 4.17 4.17 4.17
59 59 59
Hf 0.000 0.000 0.000
Si 0.250 0.250 0.250
Ni 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Ti2NbAu.
The XRD pattern shows main peaks at: 13.9°(0.16), 27.1°(0.34), 28.1°(0.17), 30.6°(0.15), 38.8°(0.52), 39.5°(1.0), 41.4°(0.06), 48.6°(0.15), 56.0°(0.18), 58.1°(0.1), 63.3°(0.08), 63.8°(0.07), 65.2°(0.1), 70.6°(0.34), 72.0°(0.16), 83.2°(0.06), 84.9°(0.1).
Generate atomic structure descri... | JVASP-188979 | 3.29 3.29 6.35
90 90 90
Nb 0.500 0.500 0.000
Au 0.500 0.500 0.500
Ti -0.000 -0.000 0.760
Ti 0.000 0.000 0.240 |
Below is a description of a material. | The chemical formula is: Pd3Kr.
The XRD pattern shows main peaks at: 36.9°(1.0), 42.9°(0.5), 62.3°(0.31), 74.6°(0.34), 78.6°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-126485 | 4.22 4.22 4.22
90 90 90
Pd 0.500 0.500 0.500
Pd 0.000 0.000 0.500
Pd 0.000 0.500 0.000
Kr 0.500 0.000 0.000 |
Below is a description of a material. | The chemical formula is: BeAlRh2.
The XRD pattern shows main peaks at: 30.8°(0.67), 44.2°(1.0), 54.9°(0.17), 64.3°(0.15), 73.0°(0.23), 81.3°(0.33).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-189408 | 4.10 4.10 4.10
60 60 60
Be -0.000 0.000 -0.000
Rh 0.250 0.250 0.250
Rh 0.750 0.750 0.750
Al 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: ErNb.
The XRD pattern shows main peaks at: 25.0°(0.08), 35.7°(1.0), 51.3°(0.16), 64.1°(0.37), 75.6°(0.11), 86.5°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-129344 | 3.56 3.56 3.56
90 90 90
Er 0.000 0.000 0.000
Nb 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: BaMgSn.
The XRD pattern shows main peaks at: 10.5°(0.37), 20.8°(0.5), 27.6°(1.0), 31.7°(0.3), 33.3°(0.92), 36.4°(0.52), 42.3°(0.17), 46.7°(0.08), 49.0°(0.37), 50.5°(0.07), 52.4°(0.19), 57.4°(0.07), 60.2°(0.21), 60.8°(0.19), 62.6°(0.17), 63.5°(0.3), 84.4°(0.16), 85.9°(0.08), 86.7°(0.07), 88.5°(0... | JVASP-35831 | 4.94 4.94 8.46
90 90 90
Ba 0.500 0.500 0.000
Ba 0.000 0.000 0.000
Mg 0.500 0.000 0.640
Mg 0.000 0.500 0.360
Sn 0.500 0.000 0.302
Sn 0.000 0.500 0.698 |
Below is a description of a material. | The chemical formula is: Ba4BeNb.
The XRD pattern shows main peaks at: 15.6°(0.56), 18.0°(0.07), 25.6°(0.07), 30.1°(1.0), 31.4°(0.72), 36.5°(0.22), 39.9°(0.16), 48.0°(0.34), 52.5°(0.37), 55.1°(0.13), 61.7°(0.13), 62.5°(0.32), 65.6°(0.06), 67.9°(0.07), 73.8°(0.22), 77.5°(0.05), 85.3°(0.07), 86.0°(0.06).
Generate atomic ... | JVASP-63999 | 6.97 6.97 6.97
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
Be 0.250 0.250 0.250
Nb 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: CaYPd2.
The XRD pattern shows main peaks at: 25.5°(0.08), 36.4°(1.0), 52.4°(0.17), 65.4°(0.36), 77.2°(0.11), 88.5°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-110761 | 4.94 4.94 4.94
60 60 60
Ca 0.500 0.500 0.500
Y 0.000 0.000 0.000
Pd 0.250 0.250 0.250
Pd 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: CaSiSn2.
The XRD pattern shows main peaks at: 13.5°(0.46), 26.4°(0.33), 32.1°(0.73), 35.0°(0.19), 35.6°(1.0), 46.0°(0.28), 47.6°(0.14), 48.2°(0.09), 53.3°(0.07), 53.8°(0.11), 56.2°(0.06), 59.5°(0.49), 66.2°(0.15), 67.1°(0.09), 68.4°(0.09), 75.5°(0.1), 76.3°(0.13), 78.3°(0.11).
Generate atomic s... | JVASP-183743 | 3.95 3.95 6.55
90 90 90
Ca 0.500 0.500 0.635
Si -0.000 -0.000 0.920
Sn -0.000 -0.000 0.347
Sn 0.500 0.500 0.108 |
Below is a description of a material. | The chemical formula is: BiSbS3.
The XRD pattern shows main peaks at: 15.7°(0.39), 17.6°(0.1), 22.3°(0.21), 23.8°(0.25), 25.1°(0.59), 27.4°(0.09), 28.6°(1.0), 31.8°(0.24), 32.9°(0.14), 33.9°(0.15), 35.6°(0.22), 36.6°(0.22), 39.9°(0.32), 45.7°(0.23), 46.5°(0.42), 49.1°(0.12), 52.8°(0.21), 59.2°(0.12), 67.6°(0.07), 85.0°... | JVASP-143207 | 3.97 11.19 11.32
90 90 90
Bi 0.250 0.170 0.505
Bi 0.250 0.330 0.005
Bi 0.750 0.830 0.495
Bi 0.750 0.670 0.995
Sb 0.750 0.460 0.654
Sb 0.750 0.040 0.154
Sb 0.250 0.540 0.346
Sb 0.250 0.960 0.846
S 0.250 0.191 0.210
S 0.250 0.309 0.710
S 0.250 0.560 0.877
S 0.250 0.940 0.377
S 0.750 0.440 0.123
S 0.250 0.874 0.051
S 0.75... |
Below is a description of a material. | The chemical formula is: BaPdCl2.
The XRD pattern shows main peaks at: 14.7°(0.46), 25.5°(0.39), 29.3°(1.0), 33.0°(0.29), 36.5°(0.91), 42.0°(0.39), 44.7°(0.12), 49.7°(0.14), 50.2°(0.09), 54.9°(0.11), 56.8°(0.5), 60.9°(0.12), 63.4°(0.06), 67.5°(0.08), 69.0°(0.17), 69.8°(0.09), 71.0°(0.07), 73.1°(0.12), 77.5°(0.07), 88.0... | JVASP-180268 | 4.30 4.30 6.01
90 90 90
Ba 0.500 0.500 0.592
Pd 0.000 -0.000 0.867
Cl -0.000 0.000 0.470
Cl 0.500 0.500 0.081 |
Below is a description of a material. | The chemical formula is: PrAu.
The XRD pattern shows main peaks at: 15.6°(0.12), 23.9°(0.11), 30.4°(1.0), 31.5°(0.32), 32.8°(0.09), 36.8°(0.26), 37.6°(0.37), 37.9°(0.86), 46.0°(0.2), 49.8°(0.17), 56.9°(0.12), 60.4°(0.11), 60.9°(0.18), 61.9°(0.12), 63.4°(0.12), 68.1°(0.16), 70.2°(0.13), 74.7°(0.14), 79.8°(0.11), 87.0°(0... | JVASP-37129 | 3.94 4.79 6.01
90 70 90
Pr 0.136 0.750 0.727
Pr 0.864 0.250 0.273
Au 0.412 0.750 0.177
Au 0.588 0.250 0.823 |
Below is a description of a material. | The chemical formula is: Y2CdSe4.
The XRD pattern shows main peaks at: 21.4°(0.25), 25.1°(0.7), 26.2°(0.12), 30.4°(0.57), 39.8°(0.34), 43.5°(1.0), 54.0°(0.14), 63.3°(0.15), 79.9°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-141673 | 8.32 8.32 8.32
60 60 60
Y 0.125 0.625 0.625
Y 0.625 0.125 0.625
Y 0.625 0.625 0.125
Y 0.625 0.625 0.625
Cd 0.250 0.250 0.250
Cd 0.000 0.000 0.000
Se 0.854 0.382 0.382
Se 0.382 0.854 0.382
Se 0.382 0.382 0.854
Se 0.382 0.382 0.382
Se 0.396 0.868 0.868
Se 0.868 0.396 0.868
Se 0.868 0.868 0.396
Se 0.868 0.868 0.868 |
Below is a description of a material. | The chemical formula is: Lu12Fe2Pb3.
The XRD pattern shows main peaks at: 30.0°(0.15), 32.6°(1.0), 34.8°(0.19), 36.6°(0.16), 38.4°(0.31), 54.1°(0.12), 55.3°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-146029 | 8.25 8.25 8.25
110 110 106
Lu 0.303 0.303 0.607
Lu 0.781 0.537 0.755
Lu 0.219 0.463 0.245
Lu 0.781 0.026 0.245
Lu 0.219 0.974 0.755
Lu 0.974 0.219 0.755
Lu 0.026 0.781 0.245
Lu 0.463 0.219 0.245
Lu 0.697 0.303 0.000
Lu 0.303 0.697 -0.000
Lu 0.697 0.697 0.393
Lu 0.537 0.781 0.755
Fe 0.390 0.390 -0.000
Fe 0.610 0.610 0.0... |
Below is a description of a material. | The chemical formula is: ZrH.
The XRD pattern shows main peaks at: 33.0°(1.0), 35.8°(0.19), 39.5°(0.29), 54.4°(0.22), 57.1°(0.1), 62.6°(0.15), 67.5°(0.22), 69.2°(0.1), 89.1°(0.05), 89.8°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-187884 | 3.23 3.23 5.01
90 90 90
H 0.000 -0.000 0.500
H 0.000 0.000 -0.000
Zr 0.000 0.500 0.250
Zr 0.500 -0.000 0.750 |
Below is a description of a material. | The chemical formula is: Rb3NdCl6.
The XRD pattern shows main peaks at: 13.3°(0.11), 15.4°(0.2), 21.9°(1.0), 26.9°(0.1), 31.1°(0.72), 38.4°(0.46), 44.6°(0.51), 55.4°(0.17), 64.9°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-107871 | 8.13 8.13 8.13
60 60 60
Rb 0.750 0.750 0.750
Rb 0.250 0.250 0.250
Rb 0.500 0.500 0.500
Nd 0.000 0.000 0.000
Cl 0.764 0.236 0.236
Cl 0.236 0.236 0.764
Cl 0.236 0.764 0.764
Cl 0.236 0.764 0.236
Cl 0.764 0.236 0.764
Cl 0.764 0.764 0.236 |
Below is a description of a material. | The chemical formula is: Ca2MgHg.
The XRD pattern shows main peaks at: 10.7°(1.0), 21.7°(0.69), 24.2°(0.17), 26.6°(0.06), 28.7°(0.43), 31.8°(0.1), 33.7°(0.64), 34.5°(0.18), 38.8°(0.23), 42.9°(0.11), 44.3°(0.07), 48.3°(0.09), 52.4°(0.16), 53.5°(0.11), 66.5°(0.06).
Generate atomic structure description with lattice lengt... | JVASP-81237 | 18.14 10.23 8.72
21 18 15
Ca 0.665 0.170 0.830
Ca 0.335 0.830 0.170
Mg 0.000 0.000 0.000
Hg 0.500 -0.000 0.000 |
Below is a description of a material. | The chemical formula is: Rb2YInBr6.
The XRD pattern shows main peaks at: 15.1°(0.31), 21.4°(0.31), 26.3°(0.53), 30.5°(1.0), 43.7°(0.65), 54.2°(0.24), 63.4°(0.1), 72.0°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-110719 | 8.29 8.29 8.29
60 60 60
Rb 0.750 0.750 0.750
Rb 0.250 0.250 0.250
Y 0.000 0.000 0.000
In 0.500 0.500 0.500
Br 0.763 0.237 0.237
Br 0.237 0.237 0.763
Br 0.237 0.763 0.763
Br 0.237 0.763 0.237
Br 0.763 0.237 0.763
Br 0.763 0.763 0.237 |
Below is a description of a material. | The chemical formula is: MnTlO3.
The XRD pattern shows main peaks at: 13.9°(0.07), 20.9°(0.41), 27.7°(1.0), 31.2°(0.4), 35.6°(0.5), 38.4°(0.11), 39.0°(0.09), 41.7°(0.12), 43.3°(0.18), 45.7°(0.23), 48.1°(0.13), 56.8°(0.27), 59.3°(0.24), 64.0°(0.14).
Generate atomic structure description with lattice lengths, angles, coo... | JVASP-99521 | 6.99 6.99 6.99
42 42 42
Mn 0.666 0.666 0.666
Mn 0.334 0.334 0.334
Tl 0.877 0.877 0.877
Tl 0.123 0.123 0.123
O 0.945 0.337 0.552
O 0.552 0.945 0.337
O 0.337 0.552 0.945
O 0.663 0.448 0.055
O 0.448 0.055 0.663
O 0.055 0.663 0.448 |
Below is a description of a material. | The chemical formula is: SrO.
The XRD pattern shows main peaks at: 28.7°(0.19), 32.4°(1.0), 41.2°(0.31), 51.4°(0.22), 53.2°(0.24), 59.9°(0.16), 62.0°(0.13), 67.9°(0.06), 77.1°(0.08), 82.3°(0.12), 83.8°(0.06), 84.7°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-49752 | 3.56 3.56 6.23
90 90 120
Sr 0.333 0.667 0.750
Sr 0.667 0.333 0.250
O 0.000 0.000 0.000
O 0.000 0.000 0.500 |
Below is a description of a material. | The chemical formula is: SnSe2.
The XRD pattern shows main peaks at: 14.5°(0.34), 30.3°(1.0), 39.8°(0.58), 46.6°(0.34), 52.4°(0.19), 56.6°(0.19), 60.5°(0.05), 62.9°(0.15), 72.8°(0.06), 76.3°(0.16), 79.7°(0.15), 84.1°(0.07), 86.6°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-123710 | 3.89 3.90 6.12
90 90 120
Sn 0.000 0.333 0.167
Se 0.667 0.667 0.428
Se 0.333 -0.000 0.905 |
Below is a description of a material. | The chemical formula is: DyLuIr2.
The XRD pattern shows main peaks at: 37.6°(1.0), 54.2°(0.16), 67.9°(0.35), 80.3°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-110411 | 4.78 4.78 4.78
60 60 60
Dy 0.500 0.500 0.500
Lu 0.000 0.000 0.000
Ir 0.250 0.250 0.250
Ir 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: LuScZn2.
The XRD pattern shows main peaks at: 22.6°(0.33), 26.2°(0.06), 37.4°(1.0), 44.1°(0.18), 53.9°(0.17), 59.1°(0.07), 67.4°(0.36), 72.1°(0.06), 79.6°(0.11), 84.1°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-39235 | 4.82 4.82 4.82
60 60 60
Lu 0.250 0.250 0.250
Sc 0.750 0.750 0.750
Zn 0.000 0.000 0.000
Zn 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: BH6N.
The XRD pattern shows main peaks at: 18.8°(0.07), 24.4°(0.4), 25.1°(1.0), 26.0°(0.26), 33.4°(0.17), 36.1°(0.08), 38.1°(0.09), 42.8°(0.11), 44.5°(0.08), 45.7°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-86218 | 4.73 4.97 5.36
90 90 90
B 0.176 0.992 0.000
B 0.824 0.492 0.500
H 0.722 0.392 0.312
H 0.843 0.899 0.344
H 0.722 0.392 0.688
H 0.278 0.892 0.812
H 0.278 0.892 0.188
H 0.083 0.465 0.500
H 0.917 0.965 0.000
H 0.157 0.399 0.156
H 0.455 0.346 0.000
H 0.545 0.846 0.500
H 0.843 0.899 0.656
H 0.157 0.399 0.844
N 0.758 0.806 0.... |
Below is a description of a material. | The chemical formula is: Th7Os3.
The XRD pattern shows main peaks at: 30.0°(0.49), 30.6°(1.0), 33.4°(0.12), 34.0°(0.64), 35.0°(0.56), 35.7°(0.47), 47.9°(0.1), 53.7°(0.28), 54.3°(0.25), 54.7°(0.27), 58.2°(0.1), 70.2°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-166677 | 10.05 10.05 6.34
90 90 120
Th 0.460 0.540 0.298
Th 0.080 0.540 0.298
Th 0.920 0.460 0.798
Th 0.252 0.126 0.503
Th 0.540 0.080 0.798
Th 0.748 0.874 0.003
Th 0.667 0.333 0.288
Th 0.126 0.874 0.003
Th 0.460 0.920 0.298
Th 0.540 0.460 0.798
Th 0.874 0.126 0.503
Th 0.126 0.252 0.003
Th 0.874 0.748 0.503
Th 0.333 0.667 0.788... |
Below is a description of a material. | The chemical formula is: Sm2ZnIr.
The XRD pattern shows main peaks at: 21.7°(0.1), 35.8°(1.0), 42.3°(0.06), 51.6°(0.17), 64.4°(0.36), 75.9°(0.11), 86.9°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-40291 | 5.01 5.01 5.01
60 60 60
Sm 0.000 0.000 0.000
Sm 0.500 0.500 0.500
Zn 0.750 0.750 0.750
Ir 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: HfNbOsRu.
The XRD pattern shows main peaks at: 23.9°(0.09), 39.6°(1.0), 57.3°(0.16), 71.9°(0.32), 85.3°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-187410 | 4.55 4.55 4.55
60 60 60
Hf 0.500 0.500 0.500
Nb 0.000 -0.000 -0.000
Os 0.250 0.250 0.250
Ru 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: AcSb5.
The XRD pattern shows main peaks at: 24.0°(0.06), 27.7°(1.0), 39.3°(0.38), 39.8°(0.36), 49.1°(0.22), 57.1°(0.12), 65.0°(0.17), 71.8°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-124628 | 4.53 4.53 11.30
90 90 120
Ac 0.000 0.000 0.250
Sb 0.667 0.333 0.063
Sb 0.667 0.333 0.593
Sb 0.333 0.667 0.437
Sb 0.333 0.667 0.907
Sb 0.000 0.000 0.750 |
Below is a description of a material. | The chemical formula is: PuAl4.
The XRD pattern shows main peaks at: 15.6°(0.65), 21.2°(0.48), 24.0°(0.53), 25.8°(0.28), 28.0°(1.0), 28.6°(0.17), 35.9°(0.65), 38.4°(0.46), 38.9°(0.39), 40.5°(0.18), 41.0°(0.22), 44.1°(0.17), 46.8°(0.17), 48.0°(0.24), 48.6°(0.15), 49.1°(0.14), 50.3°(0.16), 57.8°(0.23), 59.3°(0.11), 72.9°... | JVASP-151627 | 7.89 7.89 7.89
147 133 57
Pu 0.362 0.112 0.250
Pu 0.638 0.888 0.750
Al 0.500 0.500 0.000
Al 0.000 0.500 0.500
Al 0.138 0.888 0.250
Al 0.862 0.112 0.750
Al 0.277 0.302 0.975
Al 0.826 0.302 0.525
Al 0.174 0.698 0.475
Al 0.723 0.698 0.025 |
Below is a description of a material. | The chemical formula is: La2Tl3Pb3.
The XRD pattern shows main peaks at: 31.5°(1.0), 36.3°(0.16), 36.7°(0.3), 52.5°(0.24), 62.8°(0.28), 65.7°(0.11), 86.5°(0.06), 89.3°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-170571 | 4.91 4.90 9.91
90 90 90
La -0.000 -0.000 0.003
La 0.000 0.000 0.497
Tl 0.500 0.000 0.750
Tl -0.000 0.500 0.250
Tl -0.000 0.500 0.750
Pb 0.500 0.500 -0.001
Pb 0.500 0.500 0.501
Pb 0.500 -0.000 0.250 |
Below is a description of a material. | The chemical formula is: Ba4TaV.
The XRD pattern shows main peaks at: 15.8°(0.15), 18.2°(0.07), 25.9°(0.21), 30.5°(1.0), 31.9°(0.45), 37.0°(0.07), 45.7°(0.09), 48.6°(0.33), 53.3°(0.31), 62.6°(0.12), 63.4°(0.18), 75.0°(0.23), 78.7°(0.05), 86.7°(0.07).
Generate atomic structure description with lattice lengths, angles, c... | JVASP-66465 | 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
Ta 0.250 0.250 0.250
V 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: CaLuMn2O6.
The XRD pattern shows main peaks at: 11.8°(0.73), 23.7°(0.14), 26.5°(0.56), 32.9°(0.24), 33.7°(1.0), 34.4°(0.25), 35.0°(0.14), 36.5°(0.08), 42.3°(0.08), 43.5°(0.17), 48.4°(0.24), 49.5°(0.09), 49.9°(0.13), 54.9°(0.16), 57.0°(0.07), 59.2°(0.11), 59.9°(0.11), 61.2°(0.22), 66.1°(0.08), 7... | JVASP-170716 | 5.21 5.45 7.49
90 90 90
Ca 0.487 0.445 0.750
Ca 0.013 0.945 0.750
Lu 0.516 0.572 0.250
Lu 0.984 0.072 0.250
Mn 0.005 0.502 0.999
Mn 0.495 0.002 0.501
Mn 0.005 0.502 0.501
Mn 0.495 0.002 0.999
O 0.799 0.798 0.061
O 0.701 0.298 0.439
O 0.191 0.196 0.534
O 0.309 0.696 0.966
O 0.191 0.196 0.966
O 0.309 0.696 0.534
O 0.799 ... |
Below is a description of a material. | The chemical formula is: NbSiGe.
The XRD pattern shows main peaks at: 24.7°(0.31), 33.9°(0.14), 36.4°(0.16), 38.9°(1.0), 40.1°(0.35), 42.3°(0.09), 45.6°(0.62), 55.3°(0.09), 67.2°(0.33), 71.9°(0.15), 77.3°(0.15), 81.3°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-107303 | 4.94 4.94 6.74
90 90 120
Nb 0.004 0.502 0.500
Nb 0.498 0.502 0.167
Nb 0.498 0.996 0.833
Si 0.676 0.838 0.500
Si 0.162 0.838 0.167
Si 0.162 0.324 0.833
Ge 0.325 0.162 0.500
Ge 0.838 0.162 0.167
Ge 0.838 0.675 0.833 |
Below is a description of a material. | The chemical formula is: Fe2P.
The XRD pattern shows main peaks at: 40.7°(1.0), 44.8°(0.63), 48.1°(0.44), 53.1°(0.26), 55.1°(0.21), 55.4°(0.15), 67.5°(0.08), 73.6°(0.11), 74.5°(0.2), 80.0°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-150117 | 5.78 5.78 3.45
90 90 119
Fe 0.258 0.000 0.000
Fe 0.000 0.258 0.000
Fe 0.742 0.742 0.000
Fe 0.593 -0.000 0.500
Fe -0.000 0.593 0.500
Fe 0.407 0.407 0.500
P -0.000 -0.000 0.500
P 0.333 0.667 0.000
P 0.667 0.333 0.000 |
Below is a description of a material. | The chemical formula is: TaBeRh2.
The XRD pattern shows main peaks at: 25.4°(0.48), 42.1°(1.0), 49.9°(0.25), 61.1°(0.18), 67.3°(0.11), 77.0°(0.35), 82.7°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-183655 | 4.29 4.29 4.29
60 60 60
Ta -0.000 -0.000 -0.000
Be 0.500 0.500 0.500
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: SiBO2.
The XRD pattern shows main peaks at: 14.5°(1.0), 29.1°(0.17), 32.0°(0.08), 35.3°(0.18), 44.3°(0.08), 45.9°(0.3), 48.4°(0.15), 55.3°(0.1), 65.7°(0.08), 66.9°(0.08), 70.0°(0.06), 79.1°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-115515 | 2.80 2.80 6.13
90 90 90
Si 0.500 0.500 0.586
B 0.000 0.000 0.020
O 0.000 0.000 0.544
O 0.500 0.500 0.860 |
Below is a description of a material. | The chemical formula is: MgBeCu2.
The XRD pattern shows main peaks at: 27.3°(0.7), 42.4°(1.0), 43.1°(0.2), 47.0°(0.2), 50.6°(0.31), 58.4°(0.16), 65.7°(0.05), 68.6°(0.09), 71.5°(0.2), 74.3°(0.09), 84.2°(0.12), 89.5°(0.2).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-71607 | 4.63 4.63 4.63
134 134 66
Mg 0.500 0.500 0.000
Be 0.750 0.250 0.500
Cu 0.000 0.000 0.000
Cu 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: LiVF2.
The XRD pattern shows main peaks at: 14.8°(0.75), 29.9°(0.08), 38.9°(0.45), 43.7°(1.0), 45.5°(0.24), 46.4°(0.46), 57.0°(0.31), 62.1°(0.05), 69.8°(0.22), 80.9°(0.1), 86.1°(0.1), 87.4°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-186409 | 6.18 6.18 6.18
25 25 25
Li 0.500 0.500 0.500
V -0.000 -0.000 -0.000
F 0.232 0.232 0.232
F 0.768 0.768 0.768 |
Below is a description of a material. | The chemical formula is: ZnCu2SnS4.
The XRD pattern shows main peaks at: 28.3°(1.0), 32.8°(0.16), 47.1°(0.6), 55.9°(0.41), 68.8°(0.09), 76.0°(0.14), 87.6°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-90668 | 5.46 5.46 6.68
114 114 90
Zn 0.750 0.250 0.500
Cu 0.000 0.000 0.000
Cu 0.250 0.750 0.500
Sn 0.500 0.500 0.000
S 0.364 0.888 0.259
S 0.895 0.371 0.259
S 0.112 0.105 0.741
S 0.629 0.636 0.741 |
Below is a description of a material. | The chemical formula is: NaMnCrC6N6.
The XRD pattern shows main peaks at: 17.4°(1.0), 24.8°(0.38), 35.3°(0.39), 39.6°(0.2), 50.8°(0.15), 54.1°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-142576 | 7.19 7.19 7.19
60 60 60
Na 0.250 0.250 0.250
Mn 0.000 0.000 0.000
Cr 0.500 0.500 0.500
C 0.697 0.303 0.697
C 0.697 0.303 0.303
C 0.697 0.697 0.303
C 0.303 0.303 0.697
C 0.303 0.697 0.697
C 0.303 0.697 0.303
N 0.812 0.188 0.812
N 0.812 0.188 0.188
N 0.812 0.812 0.188
N 0.188 0.188 0.812
N 0.188 0.812 0.812
N 0.188 0.812... |
Below is a description of a material. | The chemical formula is: Ba4GeCl.
The XRD pattern shows main peaks at: 15.6°(0.46), 25.6°(0.08), 30.1°(1.0), 31.5°(0.64), 36.5°(0.22), 39.9°(0.14), 48.0°(0.35), 52.5°(0.32), 55.2°(0.1), 61.7°(0.12), 62.5°(0.27), 67.9°(0.05), 73.9°(0.22), 77.5°(0.06), 85.3°(0.07), 86.0°(0.06).
Generate atomic structure description with ... | JVASP-64475 | 6.97 6.97 6.97
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
Ge 0.000 0.000 0.000
Cl 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: NiPt3.
The XRD pattern shows main peaks at: 22.9°(0.13), 32.6°(0.11), 40.2°(1.0), 46.8°(0.52), 52.7°(0.06), 68.3°(0.31), 82.4°(0.4), 86.9°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-100213 | 3.88 3.88 3.88
90 90 90
Ni 0.000 0.000 0.000
Pt 0.000 0.500 0.500
Pt 0.500 0.000 0.500
Pt 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: Ce2Ni5B4.
The XRD pattern shows main peaks at: 22.1°(0.49), 30.0°(0.81), 33.0°(1.0), 34.4°(0.58), 35.9°(0.56), 38.2°(0.53), 38.9°(0.76), 41.5°(0.79), 41.9°(0.6), 44.3°(0.49), 45.1°(0.69), 49.8°(0.12), 58.2°(0.15), 58.5°(0.29), 61.5°(0.16), 62.6°(0.18), 68.8°(0.26), 70.2°(0.2), 74.1°(0.14), 88.6... | JVASP-166074 | 5.12 5.46 6.14
68 65 62
Ce 0.266 0.815 0.653
Ce 0.734 0.185 0.347
Ni 0.176 0.284 0.870
Ni 0.669 0.284 0.870
Ni 0.824 0.716 0.130
Ni 0.331 0.716 0.130
Ni 0.000 0.500 0.500
B 0.778 0.614 0.831
B 0.222 0.386 0.169
B 0.404 0.050 0.143
B 0.596 0.950 0.857 |
Below is a description of a material. | The chemical formula is: SrCaMn2O6.
The XRD pattern shows main peaks at: 11.7°(0.06), 26.3°(0.08), 33.4°(1.0), 35.5°(0.05), 41.3°(0.08), 48.0°(0.4), 59.8°(0.37), 70.2°(0.19), 80.0°(0.09), 89.6°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-116648 | 5.36 5.36 7.58
90 90 90
Sr 0.019 0.248 0.500
Sr 0.519 0.752 0.500
Ca 0.965 0.256 0.000
Ca 0.465 0.744 0.000
Mn 0.493 0.247 0.755
Mn -0.007 0.753 0.245
Mn 0.493 0.247 0.245
Mn -0.007 0.753 0.755
O 0.017 0.818 0.000
O 0.517 0.182 0.000
O 0.722 0.532 0.789
O 0.222 0.468 0.211
O 0.283 0.970 0.270
O 0.722 0.532 0.211
O 0.28... |
Below is a description of a material. | The chemical formula is: Sc2SO2.
The XRD pattern shows main peaks at: 28.4°(0.2), 29.1°(0.17), 30.0°(0.55), 32.5°(1.0), 36.3°(0.44), 41.1°(0.86), 46.7°(0.18), 51.7°(0.87), 60.0°(0.12), 62.4°(0.12), 64.8°(0.08), 68.1°(0.17), 85.2°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-10108 | 3.54 3.54 12.58
90 90 120
Sc 0.333 0.667 0.393
Sc 0.667 0.333 0.893
Sc 0.667 0.333 0.607
Sc 0.333 0.667 0.107
S 0.000 0.000 0.750
S 0.000 0.000 0.250
O 0.667 0.333 0.434
O 0.333 0.667 0.934
O 0.333 0.667 0.566
O 0.667 0.333 0.066 |
Below is a description of a material. | The chemical formula is: Y3CBr3.
The XRD pattern shows main peaks at: 9.1°(0.08), 18.2°(0.1), 27.3°(0.28), 33.0°(1.0), 36.9°(0.09), 46.5°(0.22), 48.2°(0.23), 59.7°(0.17), 62.3°(0.09), 80.2°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-172495 | 6.54 6.54 10.44
71 90 120
Y 0.935 0.573 0.140
Y 0.639 0.925 0.140
Y 0.287 0.221 0.140
Y 0.380 0.112 0.860
Y 0.028 0.408 0.860
Y 0.732 0.760 0.860
C 0.000 0.000 -0.000
C 0.667 0.333 0.000
Br 0.895 0.117 0.335
Br 0.221 0.770 0.335
Br 0.548 0.444 0.335
Br 0.118 0.890 0.665
Br 0.445 0.564 0.665
Br 0.771 0.217 0.665 |
Below is a description of a material. | The chemical formula is: Li2AlCoO4.
The XRD pattern shows main peaks at: 18.8°(1.0), 24.1°(0.08), 33.1°(0.07), 37.3°(0.3), 39.0°(0.06), 45.1°(0.87), 49.3°(0.08), 59.4°(0.14), 65.1°(0.2), 66.3°(0.17), 69.6°(0.1), 83.7°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-171666 | 2.83 4.88 4.99
80 73 90
Li 0.493 0.494 0.014
Li 0.007 0.006 0.986
Al 0.250 0.750 0.500
Co 0.750 0.250 0.500
O 0.359 0.117 0.281
O 0.860 0.625 0.280
O 0.141 0.383 0.719
O 0.640 0.875 0.720 |
Below is a description of a material. | The chemical formula is: LiNbRu2.
The XRD pattern shows main peaks at: 21.5°(0.37), 22.0°(0.49), 31.3°(0.12), 35.3°(0.22), 39.0°(0.68), 41.6°(1.0), 43.7°(0.51), 59.7°(0.18), 60.2°(0.19), 60.8°(0.18), 72.4°(0.21), 74.6°(0.17), 77.4°(0.08), 78.7°(0.09), 83.7°(0.07).
Generate atomic structure description with lattice leng... | JVASP-80680 | 10.23 6.54 6.57
41 23 23
Li -0.000 0.000 -0.000
Nb 0.500 0.000 -0.000
Ru 0.737 0.009 0.010
Ru 0.263 -0.009 -0.010 |
Below is a description of a material. | The chemical formula is: BaNd.
The XRD pattern shows main peaks at: 28.4°(1.0), 40.6°(0.19), 50.3°(0.4), 58.8°(0.13), 66.6°(0.18), 81.0°(0.21).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-128899 | 4.44 4.44 4.44
90 90 90
Ba 0.500 0.500 0.500
Nd 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: TcOs.
The XRD pattern shows main peaks at: 27.7°(0.09), 37.6°(0.25), 41.4°(0.24), 43.1°(1.0), 57.1°(0.15), 67.9°(0.17), 76.6°(0.17), 82.7°(0.2), 83.9°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-187685 | 4.37 2.76 4.79
90 90 90
Os 0.250 0.500 0.331
Os 0.750 0.500 0.669
Tc 0.250 0.000 0.835
Tc 0.750 0.000 0.165 |
Below is a description of a material. | The chemical formula is: Ga3Pt.
The XRD pattern shows main peaks at: 21.8°(0.25), 31.1°(0.2), 38.3°(1.0), 44.5°(0.5), 50.1°(0.12), 55.2°(0.08), 64.7°(0.3), 69.2°(0.06), 77.8°(0.37), 81.9°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-101397 | 4.07 4.07 4.07
90 90 90
Ga 0.000 0.500 0.500
Ga 0.500 0.000 0.500
Ga 0.500 0.500 0.000
Pt 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Ac3Nd.
The XRD pattern shows main peaks at: 26.2°(0.24), 28.2°(0.25), 29.8°(1.0), 38.9°(0.16), 46.3°(0.19), 50.9°(0.24), 55.0°(0.24), 56.0°(0.18), 71.2°(0.09), 75.5°(0.05), 77.4°(0.09), 81.0°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-94824 | 7.85 7.85 6.34
90 90 120
Ac 0.831 0.169 0.750
Ac 0.338 0.169 0.750
Ac 0.831 0.662 0.750
Ac 0.169 0.831 0.250
Ac 0.662 0.831 0.250
Ac 0.169 0.338 0.250
Nd 0.667 0.333 0.250
Nd 0.333 0.667 0.750 |
Below is a description of a material. | The chemical formula is: AgBr.
The XRD pattern shows main peaks at: 24.7°(1.0), 40.9°(0.75), 48.4°(0.47), 59.3°(0.11), 65.2°(0.19), 74.5°(0.24), 79.9°(0.14), 88.7°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-40117 | 4.41 4.41 4.41
60 60 60
Ag 0.000 0.000 0.000
Br 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: Mn2OF3.
The XRD pattern shows main peaks at: 25.8°(0.98), 27.1°(0.88), 34.1°(1.0), 37.7°(0.11), 38.6°(0.21), 39.5°(0.21), 41.5°(0.07), 45.7°(0.15), 51.0°(0.68), 52.5°(0.43), 53.0°(0.22), 55.8°(0.13), 58.5°(0.2), 60.5°(0.1), 62.5°(0.08), 65.0°(0.11), 65.8°(0.39), 82.8°(0.09), 85.2°(0.06), 89.2°(... | JVASP-42830 | 4.77 4.77 6.31
90 90 92
Mn 0.963 0.963 0.000
Mn 0.037 0.037 0.500
Mn 0.500 0.500 0.250
Mn 0.500 0.500 0.750
O 0.330 0.330 0.500
O 0.670 0.670 0.000
F 0.202 0.798 0.250
F 0.202 0.798 0.750
F 0.276 0.276 0.000
F 0.724 0.724 0.500
F 0.798 0.202 0.250
F 0.798 0.202 0.750 |
Below is a description of a material. | The chemical formula is: LiFeF3.
The XRD pattern shows main peaks at: 17.9°(1.0), 20.1°(0.13), 20.9°(0.1), 22.0°(0.09), 22.4°(0.11), 24.4°(0.23), 29.5°(0.09), 30.5°(0.11), 36.3°(0.09), 38.0°(0.1), 40.0°(0.08), 41.1°(0.08), 42.5°(0.16), 43.0°(0.08), 44.2°(0.14), 45.2°(0.18), 46.8°(0.09), 55.9°(0.09), 62.0°(0.08), 64.3°(... | JVASP-43816 | 5.00 5.15 10.20
95 97 119
Li 0.253 0.512 0.948
Li 0.022 0.290 0.570
Li -0.040 0.718 0.443
Li 0.769 0.503 0.057
Fe 0.578 0.966 0.248
Fe 0.152 0.251 0.246
Fe 0.779 0.752 0.755
Fe 0.492 0.034 0.751
F 0.573 0.655 0.355
F 0.473 0.219 0.137
F 0.160 0.553 0.124
F 0.193 0.790 0.863
F 0.931 0.338 0.392
F 0.893 0.142 0.881
F 0.3... |
Below is a description of a material. | The chemical formula is: LaAl8Fe4.
The XRD pattern shows main peaks at: 14.2°(0.22), 20.2°(0.24), 28.7°(0.59), 32.1°(0.16), 35.4°(0.25), 41.0°(1.0), 43.6°(0.06), 46.3°(0.16), 48.7°(0.1), 55.2°(0.07), 57.5°(0.05), 59.5°(0.28), 67.2°(0.14), 74.7°(0.22), 89.4°(0.09).
Generate atomic structure description with lattice leng... | JVASP-153381 | 6.72 6.72 6.72
98 98 135
La 0.000 0.000 0.000
Al -0.000 0.656 0.656
Al 0.000 0.344 0.344
Al 0.656 -0.000 0.656
Al 0.344 0.000 0.344
Al 0.500 0.727 0.227
Al 0.500 0.273 0.773
Al 0.727 0.500 0.227
Al 0.273 0.500 0.773
Fe -0.000 -0.000 0.500
Fe 0.500 0.500 0.500
Fe 0.000 0.500 -0.000
Fe 0.500 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Th3Al2.
The XRD pattern shows main peaks at: 15.4°(0.1), 24.5°(0.52), 25.9°(0.44), 30.3°(1.0), 31.1°(0.27), 32.3°(0.83), 34.9°(0.52), 42.1°(0.2), 46.1°(0.19), 49.3°(0.15), 51.0°(0.28), 52.3°(0.35), 53.3°(0.13), 55.8°(0.26), 62.1°(0.16), 64.2°(0.15), 67.2°(0.12), 69.7°(0.09), 82.6°(0.13), 84.6°(... | JVASP-57690 | 8.12 8.12 4.29
90 90 90
Th 0.000 0.000 0.000
Th 0.500 0.500 0.000
Th 0.678 0.178 0.500
Th 0.178 0.322 0.500
Th 0.822 0.678 0.500
Th 0.322 0.822 0.500
Al 0.883 0.383 0.000
Al 0.383 0.117 0.000
Al 0.617 0.883 0.000
Al 0.117 0.617 0.000 |
Below is a description of a material. | The chemical formula is: CuPd.
The XRD pattern shows main peaks at: 29.6°(0.06), 42.4°(1.0), 61.5°(0.15), 77.6°(0.32).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-35690 | 3.01 3.01 3.01
90 90 90
Cu 0.000 0.000 0.000
Pd 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: KBeIr.
The XRD pattern shows main peaks at: 15.4°(0.88), 29.7°(1.0), 31.1°(0.34), 37.1°(0.65), 40.9°(0.35), 44.0°(0.26), 47.4°(0.06), 49.2°(0.2), 52.3°(0.31), 59.3°(0.11), 61.6°(0.1), 64.0°(0.17), 67.7°(0.2), 68.4°(0.14), 72.1°(0.19), 79.5°(0.08), 80.5°(0.1).
Generate atomic structure descripti... | JVASP-67565 | 6.17 6.17 6.17
150 150 41
K 0.671 0.671 0.000
Be 0.931 0.931 0.000
Ir 0.398 0.398 0.000 |
Below is a description of a material. | The chemical formula is: Y4CI5.
The XRD pattern shows main peaks at: 23.0°(0.07), 25.6°(0.21), 26.9°(0.16), 27.7°(0.15), 29.5°(0.47), 30.3°(0.16), 30.8°(1.0), 32.4°(0.12), 33.5°(0.24), 33.9°(0.11), 36.0°(0.12), 42.4°(0.14), 43.2°(0.53), 45.8°(0.18), 50.9°(0.13), 52.5°(0.08), 55.5°(0.15), 64.2°(0.08), 75.4°(0.08), 83.0°... | JVASP-151445 | 9.52 9.52 8.52
77 77 24
Y 1.000 1.000 0.809
Y 0.000 0.000 0.191
Y 0.367 0.367 0.067
Y 0.633 0.633 0.933
C 0.500 0.500 -0.000
I 0.833 0.833 0.347
I 0.167 0.167 0.653
I 0.830 0.830 0.819
I 0.170 0.170 0.181
I 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Ba4LiSn.
The XRD pattern shows main peaks at: 15.1°(0.46), 17.4°(0.07), 24.7°(0.08), 29.1°(1.0), 30.4°(0.63), 35.3°(0.18), 38.6°(0.12), 39.6°(0.05), 46.4°(0.34), 50.8°(0.3), 53.3°(0.09), 59.6°(0.13), 60.3°(0.26), 65.5°(0.06), 71.2°(0.23), 74.6°(0.06), 82.0°(0.07), 82.7°(0.06).
Generate atomic s... | JVASP-64429 | 7.20 7.20 7.20
60 60 60
Ba 0.120 0.627 0.627
Ba 0.627 0.627 0.627
Ba 0.627 0.120 0.627
Ba 0.627 0.627 0.120
Li 0.250 0.250 0.250
Sn 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Rb2TlInF6.
The XRD pattern shows main peaks at: 18.9°(0.21), 26.8°(1.0), 31.6°(0.05), 38.3°(0.36), 43.1°(0.09), 47.4°(0.45), 55.3°(0.23), 62.5°(0.21), 69.3°(0.08), 75.8°(0.25), 88.3°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-38069 | 6.64 6.64 6.64
60 60 60
Rb 0.250 0.250 0.250
Rb 0.750 0.750 0.750
Tl 0.000 0.000 0.000
In 0.500 0.500 0.500
F 0.277 0.723 0.723
F 0.277 0.723 0.277
F 0.723 0.277 0.723
F 0.723 0.723 0.277
F 0.277 0.277 0.723
F 0.723 0.277 0.277 |
Below is a description of a material. | The chemical formula is: H5C6SNO.
The XRD pattern shows main peaks at: 13.9°(0.14), 16.5°(0.98), 23.3°(0.13), 27.0°(1.0), 27.4°(0.87), 28.0°(0.1), 33.5°(0.12), 40.1°(0.09), 40.6°(0.15), 42.5°(0.09), 46.1°(0.07), 48.4°(0.05), 49.1°(0.08), 53.2°(0.11).
Generate atomic structure description with lattice lengths, angles, c... | JVASP-104164 | 3.95 6.01 6.52
99 92 114
H 0.863 0.158 0.026
H 0.469 0.370 0.815
H 0.137 0.361 0.453
H 0.516 0.180 0.181
H 0.228 0.708 0.912
C 0.288 0.202 0.704
C 0.106 0.195 0.512
C 0.881 0.956 0.401
C 0.202 0.962 0.742
C 0.597 0.048 0.081
C 0.645 0.865 0.208
S 0.898 0.732 0.538
N 0.312 0.893 0.908
O 0.465 0.635 0.138 |
Below is a description of a material. | The chemical formula is: Ba3Y.
The XRD pattern shows main peaks at: 24.8°(0.24), 26.8°(0.26), 28.3°(1.0), 36.8°(0.17), 43.7°(0.21), 48.2°(0.24), 52.0°(0.26), 52.9°(0.18), 67.1°(0.09), 72.9°(0.09), 76.2°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-107432 | 8.28 8.28 6.66
90 90 120
Ba 0.171 0.343 0.250
Ba 0.657 0.829 0.250
Ba 0.171 0.829 0.250
Ba 0.829 0.657 0.750
Ba 0.343 0.171 0.750
Ba 0.829 0.171 0.750
Y 0.333 0.667 0.750
Y 0.667 0.333 0.250 |
Below is a description of a material. | The chemical formula is: Yb2LiIr.
The XRD pattern shows main peaks at: 22.4°(0.29), 26.0°(0.1), 37.1°(1.0), 43.8°(0.15), 53.4°(0.2), 58.6°(0.07), 66.8°(0.4), 71.4°(0.05), 78.9°(0.13), 83.3°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-41086 | 4.85 4.85 4.85
60 60 60
Yb 0.000 0.000 0.000
Yb 0.500 0.500 0.500
Li 0.750 0.750 0.750
Ir 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: Ca2AlBiO5.
The XRD pattern shows main peaks at: 11.4°(1.0), 21.7°(0.49), 23.0°(0.22), 24.4°(0.33), 24.8°(0.41), 29.9°(0.33), 31.4°(0.58), 31.8°(0.36), 32.2°(0.72), 34.7°(0.12), 40.9°(0.11), 41.8°(0.13), 44.2°(0.3), 46.5°(0.14), 47.0°(0.16), 54.1°(0.16), 54.6°(0.13), 56.0°(0.13), 56.7°(0.13), 57... | JVASP-146523 | 5.63 5.97 8.69
110 107 90
Ca 0.168 0.633 0.242
Ca 0.412 0.880 0.711
Ca 0.912 0.330 0.711
Ca 0.668 0.109 0.242
Al 0.274 0.306 0.484
Al 0.774 0.678 0.484
Bi 0.523 0.495 0.005
Bi 0.023 0.009 0.005
O 0.357 0.295 0.130
O 0.115 0.608 0.966
O 0.786 0.940 0.663
O 0.131 0.046 0.298
O 0.581 0.445 0.508
O 0.631 0.751 0.298
O 0.08... |
Below is a description of a material. | The chemical formula is: DyMnGa.
The XRD pattern shows main peaks at: 20.8°(0.27), 26.4°(0.13), 30.0°(0.16), 31.8°(0.32), 33.9°(0.82), 35.1°(0.91), 36.8°(1.0), 38.3°(0.92), 40.4°(0.17), 41.5°(0.43), 42.4°(0.58), 48.5°(0.13), 53.9°(0.14), 55.9°(0.12), 60.0°(0.26), 60.8°(0.28), 62.4°(0.17), 64.3°(0.21), 74.8°(0.27), 76.2... | JVASP-105535 | 6.76 6.76 4.27
90 90 123
Dy 0.110 0.548 0.500
Dy 0.548 0.110 0.500
Dy 0.948 0.948 0.500
Mn 0.205 0.912 0.000
Mn 0.912 0.205 0.000
Mn 0.268 0.268 0.000
Ga 0.486 0.486 0.500
Ga 0.517 0.781 0.000
Ga 0.781 0.517 0.000 |
Below is a description of a material. | The chemical formula is: Ba4PSe.
The XRD pattern shows main peaks at: 16.1°(0.44), 26.4°(0.08), 31.0°(1.0), 32.4°(0.67), 37.6°(0.21), 41.1°(0.13), 49.5°(0.34), 54.3°(0.33), 57.0°(0.11), 63.8°(0.12), 64.7°(0.27), 67.9°(0.05), 70.3°(0.06), 76.5°(0.22), 80.3°(0.06), 88.6°(0.07), 89.3°(0.06).
Generate atomic structure desc... | JVASP-66646 | 6.76 6.76 6.76
60 60 60
Ba 0.126 0.625 0.625
Ba 0.625 0.625 0.625
Ba 0.625 0.126 0.625
Ba 0.625 0.625 0.126
P 0.250 0.250 0.250
Se 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: PbICl.
The XRD pattern shows main peaks at: 21.4°(0.55), 23.9°(0.68), 28.8°(0.65), 29.8°(0.13), 30.6°(1.0), 33.9°(0.33), 35.6°(0.3), 37.2°(0.2), 37.9°(0.33), 38.8°(0.37), 40.6°(0.23), 43.5°(0.19), 44.7°(0.2), 48.6°(0.14), 52.6°(0.17), 54.8°(0.13), 55.3°(0.22), 56.2°(0.12), 59.7°(0.13), 63.2°(0.... | JVASP-12483 | 4.64 8.18 9.67
90 90 90
Pb 0.250 0.718 0.616
Pb 0.750 0.282 0.384
Pb 0.250 0.218 0.884
Pb 0.750 0.782 0.116
I 0.250 0.468 0.170
I 0.750 0.032 0.670
I 0.250 0.968 0.330
I 0.750 0.532 0.830
Cl 0.750 0.640 0.439
Cl 0.250 0.860 0.939
Cl 0.750 0.140 0.061
Cl 0.250 0.360 0.561 |
Below is a description of a material. | The chemical formula is: Sr2AlGa3.
The XRD pattern shows main peaks at: 9.3°(0.06), 30.2°(1.0), 37.9°(0.17), 41.3°(0.42), 52.0°(0.21), 57.2°(0.29), 68.4°(0.18), 75.3°(0.07), 87.5°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-108075 | 4.37 4.37 9.51
90 90 120
Sr 0.000 0.000 0.752
Sr 0.000 0.000 0.248
Al 0.333 0.667 0.500
Ga 0.333 0.667 0.000
Ga 0.667 0.333 0.500
Ga 0.667 0.333 0.000 |
Below is a description of a material. | The chemical formula is: V3Ru.
The XRD pattern shows main peaks at: 25.8°(0.11), 29.9°(0.06), 42.8°(1.0), 50.7°(0.06), 62.2°(0.16), 78.5°(0.28).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-41523 | 4.22 4.22 4.22
60 60 60
V 0.000 0.000 0.000
V 0.500 0.500 0.500
V 0.250 0.250 0.250
Ru 0.750 0.750 0.750 |
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