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: MoP2O7.
The XRD pattern shows main peaks at: 17.6°(1.0), 22.4°(0.43), 24.1°(0.45), 28.5°(0.82), 29.8°(0.52), 30.2°(0.57), 35.6°(0.19), 36.6°(0.09), 43.2°(0.29), 43.8°(0.31), 46.0°(0.11), 49.4°(0.18), 50.1°(0.16), 53.8°(0.09), 57.4°(0.13), 61.6°(0.09), 62.8°(0.07), 64.8°(0.09).
Generate atomic s... | JVASP-104989 | 5.19 5.19 4.66
82 82 100
Mo 0.113 0.887 -0.000
P 0.663 0.734 0.587
P 0.266 0.337 0.413
O 0.550 0.450 0.500
O 0.433 0.845 0.725
O 0.802 0.916 0.300
O 0.851 0.669 0.802
O 0.084 0.198 0.700
O 0.155 0.567 0.275
O 0.331 0.149 0.198 |
Below is a description of a material. | The chemical formula is: Zr2ZnCd.
The XRD pattern shows main peaks at: 36.1°(1.0), 41.0°(0.33), 43.6°(0.14), 59.4°(0.11), 61.4°(0.16), 71.5°(0.19), 75.1°(0.06), 76.5°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-80200 | 12.10 8.10 8.10
31 19 19
Zr 0.750 -0.000 -0.000
Zr 0.250 0.000 0.000
Zn 0.000 0.000 0.000
Cd 0.500 0.000 0.000 |
Below is a description of a material. | The chemical formula is: KRb2TlCl6.
The XRD pattern shows main peaks at: 14.0°(0.51), 16.1°(0.19), 22.9°(1.0), 26.9°(0.08), 32.6°(0.68), 40.2°(0.44), 46.8°(0.47), 58.2°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-104537 | 7.76 7.76 7.76
60 60 60
K 0.500 0.500 0.500
Rb 0.750 0.750 0.750
Rb 0.250 0.250 0.250
Tl 0.000 0.000 0.000
Cl 0.763 0.237 0.237
Cl 0.237 0.237 0.763
Cl 0.237 0.763 0.763
Cl 0.237 0.763 0.237
Cl 0.763 0.237 0.763
Cl 0.763 0.763 0.237 |
Below is a description of a material. | The chemical formula is: AgAsS2.
The XRD pattern shows main peaks at: 15.1°(0.05), 28.4°(1.0), 30.4°(0.49), 34.1°(0.98), 39.1°(0.06), 46.3°(0.62), 48.9°(0.33), 52.8°(0.35), 57.5°(0.25), 58.7°(0.29), 71.7°(0.11), 73.9°(0.08), 74.9°(0.25), 79.9°(0.12), 81.8°(0.15), 83.9°(0.05), 87.0°(0.11), 89.8°(0.17).
Generate atomic s... | JVASP-117661 | 3.72 3.72 5.87
90 90 90
Ag 0.500 0.500 0.549
As 0.000 0.000 0.050
S 0.000 0.000 0.429
S 0.500 0.500 0.982 |
Below is a description of a material. | The chemical formula is: Be2ReCl.
The XRD pattern shows main peaks at: 26.4°(1.0), 30.5°(0.33), 43.7°(0.62), 51.8°(0.51), 54.3°(0.1), 63.6°(0.11), 70.1°(0.19), 72.2°(0.13), 80.4°(0.21), 86.4°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-51239 | 4.14 4.14 4.14
60 60 60
Be 0.000 0.000 0.000
Be 0.750 0.750 0.750
Re 0.250 0.250 0.250
Cl 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Ba4CdBi.
The XRD pattern shows main peaks at: 24.9°(0.33), 29.3°(1.0), 30.6°(0.37), 43.8°(0.15), 46.6°(0.38), 51.0°(0.3), 57.6°(0.07), 59.9°(0.13), 60.7°(0.16), 69.5°(0.08), 71.6°(0.25), 75.1°(0.05), 82.5°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates an... | JVASP-64208 | 7.16 7.16 7.16
60 60 60
Ba 0.129 0.624 0.624
Ba 0.624 0.624 0.624
Ba 0.624 0.129 0.624
Ba 0.624 0.624 0.129
Cd 0.000 0.000 0.000
Bi 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: LuIO.
The XRD pattern shows main peaks at: 9.6°(0.42), 30.3°(1.0), 33.0°(0.41), 37.5°(0.22), 39.2°(0.05), 47.3°(0.2), 49.6°(0.05), 52.1°(0.13), 57.2°(0.33), 60.8°(0.13), 61.9°(0.11), 63.1°(0.05), 69.1°(0.06), 70.9°(0.07), 77.3°(0.07), 78.7°(0.07).
Generate atomic structure description with latt... | JVASP-30472 | 3.84 3.84 9.19
90 90 90
Lu 0.750 0.750 0.385
Lu 0.250 0.250 0.615
I 0.250 0.250 0.179
I 0.750 0.750 0.821
O 0.750 0.250 0.500
O 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: TlAgI2.
The XRD pattern shows main peaks at: 21.3°(0.14), 26.5°(0.47), 27.5°(0.11), 30.3°(0.48), 31.5°(1.0), 34.0°(0.14), 38.3°(0.12), 43.4°(0.08), 46.7°(0.13), 48.8°(0.16), 49.6°(0.17), 52.1°(0.12), 56.7°(0.16), 67.4°(0.07).
Generate atomic structure description with lattice lengths, angles, c... | JVASP-8666 | 7.07 7.07 7.07
107 107 113
Tl 0.250 0.250 -0.000
Tl 0.750 0.750 -0.000
Ag 0.250 0.750 0.500
Ag 0.750 0.250 0.500
I 0.681 0.181 0.862
I 0.181 0.319 0.500
I 0.819 0.681 0.500
I 0.319 0.819 0.138 |
Below is a description of a material. | The chemical formula is: PuBr3.
The XRD pattern shows main peaks at: 10.2°(1.0), 17.4°(0.59), 20.2°(0.2), 28.6°(0.2), 30.8°(0.22), 32.2°(0.21), 33.8°(0.25), 35.6°(0.15), 39.5°(0.07), 40.9°(0.1), 41.5°(0.08), 42.5°(0.09), 43.5°(0.1), 45.1°(0.16), 50.9°(0.07), 53.4°(0.07), 54.3°(0.09), 55.0°(0.08), 58.2°(0.11), 59.3°(0.0... | JVASP-150008 | 6.84 6.84 8.71
90 90 132
Pu 0.411 0.589 0.500
Pu 0.589 0.411 0.500
Br 0.151 0.849 0.500
Br 0.849 0.151 0.500
Br 0.352 0.648 0.793
Br 0.648 0.352 0.793
Br 0.648 0.352 0.207
Br 0.352 0.648 0.207 |
Below is a description of a material. | The chemical formula is: Sr3Fe2TeO9.
The XRD pattern shows main peaks at: 22.5°(0.05), 32.1°(1.0), 39.6°(0.06), 46.0°(0.4), 57.3°(0.32), 67.3°(0.12), 76.4°(0.12), 85.4°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-170391 | 5.57 5.57 6.85
90 90 120
Sr 0.333 0.667 0.659
Sr -0.000 0.000 0.008
Sr 0.667 0.333 0.333
Fe 0.333 0.667 0.186
Fe -0.000 0.000 0.480
Te 0.667 0.333 0.833
O 0.667 0.833 0.333
O 0.336 0.168 0.669
O 0.997 0.499 0.998
O 0.832 0.664 0.669
O 0.501 0.003 0.998
O 0.167 0.333 0.333
O 0.832 0.168 0.669
O 0.501 0.499 0.998
O 0.167... |
Below is a description of a material. | The chemical formula is: Ti6PtAu.
The XRD pattern shows main peaks at: 24.9°(0.85), 35.5°(0.48), 39.8°(0.19), 43.8°(1.0), 51.1°(0.13), 57.6°(0.19), 69.5°(0.52), 75.1°(0.1), 80.6°(0.11), 85.9°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-110972 | 5.06 5.06 5.06
90 90 90
Ti 0.000 0.500 0.753
Ti 0.500 0.247 0.000
Ti 0.753 0.000 0.500
Ti 0.000 0.500 0.247
Ti 0.500 0.753 0.000
Ti 0.247 0.000 0.500
Pt 0.000 0.000 0.000
Au 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: RbNaO.
The XRD pattern shows main peaks at: 10.4°(0.26), 15.4°(1.0), 18.6°(0.29), 20.9°(0.12), 21.8°(0.43), 24.2°(0.14), 26.1°(0.3), 30.4°(0.2), 31.1°(0.16), 32.8°(0.07), 34.8°(0.25), 35.4°(0.07), 36.5°(0.1), 37.8°(0.1), 41.0°(0.18), 45.6°(0.11), 48.4°(0.09), 50.1°(0.09), 54.9°(0.07), 56.2°(0.1... | JVASP-115257 | 5.76 5.76 8.49
90 90 90
Rb 0.000 0.000 0.054
Na 0.000 0.000 0.547
O 0.000 0.000 0.784 |
Below is a description of a material. | The chemical formula is: YbCu2.
The XRD pattern shows main peaks at: 20.1°(0.1), 21.1°(0.07), 29.3°(0.14), 35.2°(0.64), 37.9°(0.94), 40.8°(0.15), 41.4°(1.0), 42.3°(0.57), 42.9°(0.09), 58.6°(0.13), 63.1°(0.12), 64.9°(0.38), 67.3°(0.24), 70.2°(0.3), 74.3°(0.21), 86.7°(0.17).
Generate atomic structure description with lat... | JVASP-152336 | 5.10 5.10 8.43
90 90 120
Yb 0.333 0.667 0.061
Yb 0.667 0.333 0.561
Yb 0.667 0.333 0.939
Yb 0.333 0.667 0.439
Cu 0.000 0.000 0.000
Cu 0.000 0.000 0.500
Cu 0.833 0.167 0.250
Cu 0.833 0.665 0.250
Cu 0.335 0.167 0.250
Cu 0.167 0.833 0.750
Cu 0.167 0.335 0.750
Cu 0.665 0.833 0.750 |
Below is a description of a material. | The chemical formula is: Nd3SnN.
The XRD pattern shows main peaks at: 31.0°(1.0), 35.9°(0.61), 51.7°(0.42), 61.5°(0.45), 64.5°(0.14), 76.1°(0.07), 84.4°(0.2), 87.1°(0.2).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-93249 | 5.00 5.00 5.00
90 90 90
Nd 0.500 0.500 0.000
Nd 0.500 0.000 0.500
Nd 0.000 0.500 0.500
Sn 0.000 0.000 0.000
N 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: RbMoCl2.
The XRD pattern shows main peaks at: 11.6°(0.17), 23.4°(0.55), 28.0°(1.0), 34.8°(0.64), 35.4°(0.19), 36.2°(0.91), 43.6°(0.38), 44.1°(0.24), 51.5°(0.23), 52.1°(0.28), 54.9°(0.21), 57.9°(0.17), 60.2°(0.23), 61.4°(0.08), 64.2°(0.19), 64.6°(0.12), 70.6°(0.12), 76.9°(0.08), 79.1°(0.14), 88.... | JVASP-120970 | 3.51 3.51 7.61
90 90 90
Rb 0.500 0.500 0.593
Mo 0.000 0.000 0.001
Cl 0.000 0.000 0.340
Cl 0.500 0.500 0.076 |
Below is a description of a material. | The chemical formula is: AlV3.
The XRD pattern shows main peaks at: 42.3°(1.0), 61.4°(0.15), 77.4°(0.28).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-187456 | 4.27 4.27 4.27
60 60 60
Al 0.500 0.500 0.500
V -0.000 0.000 -0.000
V 0.750 0.750 0.750
V 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: CeThCN.
The XRD pattern shows main peaks at: 29.6°(1.0), 34.1°(0.46), 34.8°(0.22), 49.0°(0.16), 49.5°(0.33), 58.3°(0.31), 59.2°(0.16), 61.5°(0.17), 79.6°(0.07), 80.3°(0.12), 82.0°(0.08), 83.5°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-105531 | 3.72 3.72 5.16
90 90 90
Ce 0.000 0.000 0.500
Th 0.500 0.500 0.000
C 0.000 0.000 0.000
N 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: HfGeTe2.
The XRD pattern shows main peaks at: 14.9°(0.07), 21.2°(0.06), 30.2°(1.0), 43.2°(0.76), 53.6°(0.27), 62.8°(0.1), 71.2°(0.28), 79.3°(0.23).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-183096 | 4.18 4.18 5.93
90 90 90
Hf 0.500 0.500 0.503
Ge -0.000 0.000 0.002
Te -0.000 0.000 0.502
Te 0.500 0.500 0.003 |
Below is a description of a material. | The chemical formula is: Be2TlPd.
The XRD pattern shows main peaks at: 25.5°(0.17), 29.6°(1.0), 42.3°(0.93), 50.1°(0.09), 52.5°(0.27), 61.4°(0.15), 69.6°(0.36), 77.4°(0.31).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-70657 | 4.27 4.27 4.27
120 120 89
Be 0.000 0.000 0.000
Be 0.500 0.500 0.000
Tl 0.750 0.250 0.500
Pd 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: Be2NiRu.
The XRD pattern shows main peaks at: 28.6°(0.11), 33.1°(1.0), 47.5°(0.89), 59.2°(0.22), 69.5°(0.15), 79.2°(0.29), 88.6°(0.27).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-103231 | 3.83 3.83 3.83
60 60 60
Be 0.750 0.750 0.750
Be 0.250 0.250 0.250
Ni 0.500 0.500 0.500
Ru 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: LiMnOF2.
The XRD pattern shows main peaks at: 23.1°(1.0), 25.9°(0.45), 31.7°(0.25), 33.9°(0.31), 36.0°(0.1), 39.5°(0.29), 43.2°(0.16), 47.2°(0.2), 51.5°(0.22), 53.1°(0.22), 54.9°(0.1), 56.3°(0.09), 57.3°(0.15), 60.8°(0.08), 62.3°(0.19), 64.7°(0.06), 66.0°(0.09), 71.2°(0.06).
Generate atomic str... | JVASP-106894 | 5.26 5.35 5.02
113 58 119
Li 0.411 0.342 0.446
Li 0.981 0.842 0.946
Mn 0.734 0.213 0.735
Mn 0.241 0.713 0.235
O 0.363 0.998 0.025
O 0.106 0.498 0.525
F 0.002 0.014 0.662
F 0.632 0.960 0.326
F 0.498 0.460 0.827
F 0.845 0.514 0.162 |
Below is a description of a material. | The chemical formula is: YAlS2.
The XRD pattern shows main peaks at: 11.1°(1.0), 22.2°(0.11), 27.6°(0.83), 30.6°(0.13), 32.6°(0.52), 37.5°(0.11), 40.4°(0.34), 45.4°(0.06), 46.6°(0.34), 47.0°(0.34), 48.4°(0.15), 55.4°(0.11), 58.3°(0.08), 63.6°(0.09), 67.4°(0.1), 68.3°(0.11), 75.5°(0.09), 82.7°(0.08), 87.0°(0.12).
Genera... | JVASP-139496 | 8.30 8.30 8.30
26 26 26
Y 0.500 0.500 0.500
Al 0.000 0.000 0.000
S 0.103 0.103 0.103
S 0.897 0.897 0.897 |
Below is a description of a material. | The chemical formula is: Na3CrCl6.
The XRD pattern shows main peaks at: 15.1°(0.18), 16.8°(0.67), 27.0°(0.13), 30.3°(1.0), 38.0°(0.2), 40.2°(0.58), 41.4°(0.1), 46.4°(0.36), 46.8°(0.25), 57.1°(0.08), 63.0°(0.11), 74.3°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-58862 | 6.78 6.78 11.97
90 90 120
Na 0.000 0.000 0.250
Na 0.000 0.000 0.750
Na 0.333 0.667 0.543
Na 0.333 0.667 0.957
Na 0.667 0.333 0.457
Na 0.667 0.333 0.043
Cr 0.667 0.333 0.750
Cr 0.333 0.667 0.250
Cl 0.678 0.056 0.634
Cl 0.944 0.622 0.634
Cl 0.944 0.322 0.866
Cl 0.678 0.622 0.866
Cl 0.056 0.378 0.366
Cl 0.322 0.378 0.134
... |
Below is a description of a material. | The chemical formula is: MnBrO3.
The XRD pattern shows main peaks at: 20.9°(0.16), 24.6°(1.0), 32.5°(0.07), 34.3°(0.41), 41.2°(0.16), 42.6°(0.16), 43.2°(0.17), 49.8°(0.13), 50.4°(0.16), 54.1°(0.16), 62.3°(0.1), 66.1°(0.1), 68.5°(0.11), 71.6°(0.06), 73.5°(0.08), 79.3°(0.06).
Generate atomic structure description with la... | JVASP-138312 | 4.60 4.60 4.60
103 103 103
Mn 0.224 0.224 0.224
Br 0.621 0.621 0.621
O 0.253 0.894 0.253
O 0.253 0.253 0.894
O 0.894 0.253 0.253 |
Below is a description of a material. | The chemical formula is: Pr3Ho.
The XRD pattern shows main peaks at: 28.2°(0.09), 29.2°(0.36), 30.3°(0.33), 32.1°(1.0), 36.4°(0.19), 41.9°(0.07), 48.1°(0.1), 50.0°(0.23), 59.5°(0.27), 60.6°(0.15), 82.3°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-124020 | 3.65 3.65 11.81
90 90 119
Pr 0.000 0.000 0.500
Pr 0.333 0.667 0.244
Pr 0.667 0.333 0.756
Ho 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Zr3CdN.
The XRD pattern shows main peaks at: 34.5°(1.0), 40.0°(0.51), 57.9°(0.35), 69.2°(0.38), 72.7°(0.11), 86.4°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-190535 | 4.50 4.50 4.50
90 90 90
N 0.000 0.000 0.000
Zr 0.000 0.500 0.000
Zr 0.000 0.000 0.500
Zr 0.500 0.000 0.000
Cd 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Zn3N2.
The XRD pattern shows main peaks at: 31.3°(0.65), 33.9°(0.87), 37.9°(1.0), 43.0°(0.58), 48.8°(0.25), 53.9°(0.76), 65.2°(0.13), 67.8°(0.17), 71.3°(0.13), 89.5°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-49847 | 3.40 5.89 12.04
90 90 90
Zn 0.750 0.583 0.079
Zn 0.250 0.083 0.421
Zn 0.250 0.417 0.579
Zn 0.250 0.750 0.250
Zn 0.250 0.417 0.921
Zn 0.250 0.083 0.079
Zn 0.250 0.750 0.750
Zn 0.750 0.250 0.750
Zn 0.750 0.583 0.421
Zn 0.750 0.250 0.250
Zn 0.750 0.917 0.579
Zn 0.750 0.917 0.921
N 0.250 0.750 0.500
N 0.750 0.583 0.250
N 0... |
Below is a description of a material. | The chemical formula is: RbBSe3.
The XRD pattern shows main peaks at: 14.6°(0.22), 22.1°(0.08), 23.2°(0.15), 27.4°(0.07), 29.7°(1.0), 31.0°(0.12), 32.5°(0.82), 35.7°(0.08), 36.2°(0.21), 36.9°(0.2), 39.5°(0.09), 42.1°(0.08), 46.3°(0.1), 49.2°(0.07), 50.9°(0.08), 53.3°(0.12), 56.9°(0.08), 59.2°(0.13), 59.6°(0.12), 60.3°(... | JVASP-97977 | 6.21 7.23 12.40
90 90 105
Rb 0.208 0.256 0.425
Rb 0.792 0.744 0.575
Rb 0.708 0.256 0.075
Rb 0.292 0.744 0.925
B 0.675 0.697 0.229
B 0.175 0.697 0.271
B 0.325 0.303 0.771
B 0.825 0.303 0.729
Se 0.322 0.055 0.681
Se 0.822 0.055 0.819
Se 0.678 0.945 0.319
Se 0.334 0.795 0.414
Se 0.666 0.205 0.586
Se 0.834 0.795 0.086
Se 0... |
Below is a description of a material. | The chemical formula is: NdRh2.
The XRD pattern shows main peaks at: 33.1°(0.38), 39.1°(1.0), 40.9°(0.31), 63.2°(0.33), 69.5°(0.25), 83.9°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-20750 | 5.41 5.41 5.41
60 60 60
Nd 0.125 0.125 0.125
Nd 0.875 0.875 0.875
Rh 0.500 0.000 0.500
Rh -0.000 0.500 0.500
Rh 0.500 0.500 0.500
Rh 0.500 0.500 -0.000 |
Below is a description of a material. | The chemical formula is: BaLiTi2.
The XRD pattern shows main peaks at: 21.1°(0.53), 27.2°(0.56), 34.7°(1.0), 40.7°(0.19), 43.0°(0.25), 48.3°(0.11), 51.6°(0.19), 56.1°(0.22), 57.3°(0.07), 60.7°(0.1), 61.8°(0.17), 62.4°(0.08), 73.4°(0.22), 74.2°(0.06), 88.1°(0.07).
Generate atomic structure description with lattice lengt... | JVASP-65577 | 4.21 4.21 5.22
90 90 90
Ba 0.500 0.500 0.500
Li 0.000 0.000 0.500
Ti 0.000 0.500 0.000
Ti 0.500 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Zr2Sb3Ru.
The XRD pattern shows main peaks at: 10.2°(0.05), 30.7°(0.55), 32.2°(0.15), 33.9°(1.0), 38.5°(1.0), 46.2°(0.55), 52.6°(0.08), 53.5°(0.13), 56.5°(0.29), 58.0°(0.13), 61.7°(0.29), 67.4°(0.17), 72.6°(0.12), 75.9°(0.1), 77.2°(0.1), 77.6°(0.17), 80.4°(0.2).
Generate atomic structure descri... | JVASP-185062 | 3.93 3.93 8.70
90 90 90
Zr 0.500 -0.000 0.749
Zr 0.000 0.500 0.251
Sb 0.500 0.500 0.000
Sb 0.500 -0.000 0.383
Sb -0.000 0.500 0.617
Ru -0.000 -0.000 0.000 |
Below is a description of a material. | The chemical formula is: UGaPd.
The XRD pattern shows main peaks at: 21.1°(0.12), 25.7°(0.1), 29.8°(0.26), 33.5°(0.72), 36.8°(1.0), 39.8°(0.31), 43.0°(0.26), 45.4°(0.19), 53.2°(0.11), 55.3°(0.15), 59.8°(0.3), 64.3°(0.08), 72.4°(0.21), 74.7°(0.13), 76.2°(0.08).
Generate atomic structure description with lattice lengths,... | JVASP-90025 | 4.21 6.92 6.92
120 90 90
U 0.500 0.572 0.000
U 0.500 0.428 0.428
U 0.500 1.000 0.572
Ga 0.000 0.239 -0.000
Ga 0.000 0.761 0.761
Ga 0.000 1.000 0.239
Pd 0.000 0.333 0.667
Pd 0.000 0.667 0.333
Pd 0.500 -0.000 -0.000 |
Below is a description of a material. | The chemical formula is: CoCu2HgS4.
The XRD pattern shows main peaks at: 17.3°(0.06), 18.4°(0.22), 23.0°(0.09), 28.9°(1.0), 30.9°(0.12), 32.8°(0.16), 35.0°(0.07), 37.3°(0.06), 37.8°(0.14), 47.0°(0.2), 48.7°(0.36), 56.2°(0.27), 59.1°(0.13), 68.7°(0.05), 78.8°(0.1), 88.7°(0.1).
Generate atomic structure description with ... | JVASP-155367 | 6.42 6.42 6.42
129 129 74
Co 0.000 0.000 -0.000
Cu 0.750 0.250 0.500
Cu 0.250 0.750 0.500
Hg 0.500 0.500 0.000
S 0.918 0.350 0.000
S 0.350 0.918 0.000
S 0.082 0.082 0.432
S 0.650 0.650 0.568 |
Below is a description of a material. | The chemical formula is: ZrNi2Sb.
The XRD pattern shows main peaks at: 21.3°(0.09), 32.5°(0.8), 40.7°(0.71), 42.7°(1.0), 50.3°(0.17), 54.7°(0.18), 60.5°(0.21), 62.5°(0.07), 68.1°(0.07), 71.8°(0.16), 76.9°(0.19), 78.2°(0.15), 83.8°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates an... | JVASP-15214 | 4.23 4.23 8.35
90 90 119
Zr 0.667 0.333 0.250
Zr 0.333 0.667 0.750
Ni 0.667 0.333 0.599
Ni 0.333 0.667 0.099
Ni 0.667 0.333 0.901
Ni 0.333 0.667 0.401
Sb 0.000 0.000 0.000
Sb 0.000 0.000 0.500 |
Below is a description of a material. | The chemical formula is: KTl2As2.
The XRD pattern shows main peaks at: 14.3°(0.52), 19.2°(0.09), 25.3°(0.12), 29.2°(1.0), 36.1°(0.42), 38.7°(0.46), 40.7°(0.06), 43.8°(0.08), 46.8°(0.12), 51.3°(0.09), 51.9°(0.14), 54.2°(0.07), 58.0°(0.15), 60.7°(0.26), 66.6°(0.19), 70.3°(0.08), 71.8°(0.07), 76.0°(0.05), 87.6°(0.07), 89.... | JVASP-158196 | 7.13 7.13 7.13
139 139 59
K 0.000 0.000 0.000
Tl 0.750 0.250 0.500
Tl 0.250 0.750 0.500
As 0.402 0.402 -0.000
As 0.598 0.598 0.000 |
Below is a description of a material. | The chemical formula is: CaBH.
The XRD pattern shows main peaks at: 24.1°(1.0), 28.2°(0.43), 37.5°(0.64), 42.5°(0.36), 49.4°(0.13), 51.8°(0.4), 57.9°(0.17), 64.1°(0.12), 67.2°(0.09), 74.4°(0.15), 74.8°(0.11), 84.6°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-137785 | 4.26 4.26 3.16
90 90 120
Ca 0.333 0.667 0.000
B 0.000 0.000 0.000
H 0.667 0.333 0.000 |
Below is a description of a material. | The chemical formula is: HoPaRu2.
The XRD pattern shows main peaks at: 26.1°(0.12), 37.3°(1.0), 53.7°(0.19), 67.2°(0.39), 79.4°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-110435 | 4.83 4.83 4.83
59 59 59
Ho 0.500 0.500 0.500
Pa 0.000 0.000 0.000
Ru 0.250 0.250 0.250
Ru 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: PrN.
The XRD pattern shows main peaks at: 28.4°(0.51), 31.9°(1.0), 40.5°(0.3), 50.5°(0.05), 52.5°(0.48), 58.9°(0.2), 66.5°(0.11), 68.3°(0.11), 81.0°(0.06), 82.6°(0.13), 87.9°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-37124 | 4.45 4.45 3.62
90 90 90
Pr 0.500 0.000 0.268
Pr 0.000 0.500 0.732
N 0.500 0.500 0.000
N 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: ZnCuNi2.
The XRD pattern shows main peaks at: 45.0°(1.0), 65.5°(0.12), 83.1°(0.27).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-191890 | 4.03 4.03 5.69
90 90 90
Zn 0.500 0.750 0.500
Zn -0.000 0.250 -0.000
Cu -0.000 0.250 0.500
Cu 0.500 0.750 -0.000
Ni 0.500 0.250 0.250
Ni 0.500 0.250 0.750
Ni 0.000 0.750 0.750
Ni 0.000 0.750 0.250 |
Below is a description of a material. | The chemical formula is: HfFe2.
The XRD pattern shows main peaks at: 21.3°(0.17), 22.3°(0.09), 24.1°(0.13), 31.0°(0.13), 37.3°(0.66), 40.2°(1.0), 43.3°(0.13), 43.9°(0.84), 44.9°(0.46), 62.3°(0.11), 67.3°(0.12), 69.2°(0.37), 71.8°(0.17), 74.9°(0.23), 79.5°(0.18), 86.8°(0.1).
Generate atomic structure description with la... | JVASP-152041 | 4.82 4.82 7.98
90 90 119
Hf 0.667 0.333 0.065
Hf 0.333 0.667 0.565
Hf 0.333 0.667 0.935
Hf 0.667 0.333 0.435
Fe 0.000 0.000 0.000
Fe 0.000 0.000 0.500
Fe 0.659 0.829 0.250
Fe 0.171 0.829 0.250
Fe 0.171 0.341 0.250
Fe 0.341 0.171 0.750
Fe 0.829 0.171 0.750
Fe 0.829 0.659 0.750 |
Below is a description of a material. | The chemical formula is: Er5In3.
The XRD pattern shows main peaks at: 27.7°(0.14), 30.1°(0.22), 30.6°(0.37), 33.7°(1.0), 34.4°(0.66), 34.8°(0.31), 42.9°(0.08), 49.7°(0.17), 53.0°(0.26), 53.6°(0.08), 54.4°(0.12), 55.5°(0.14), 57.3°(0.1), 66.3°(0.07), 67.2°(0.17), 68.8°(0.08), 81.8°(0.08), 82.9°(0.07).
Generate atomic st... | JVASP-154143 | 8.93 8.93 6.43
90 90 119
Er 0.333 0.667 0.000
Er 0.667 0.333 0.500
Er 0.667 0.333 0.000
Er 0.333 0.667 0.500
Er 0.235 -0.000 0.250
Er -0.000 0.235 0.250
Er 0.765 0.765 0.250
Er 0.765 0.000 0.750
Er 0.000 0.765 0.750
Er 0.235 0.235 0.750
In 0.599 -0.000 0.250
In -0.000 0.599 0.250
In 0.401 0.401 0.250
In 0.401 0.000 0.7... |
Below is a description of a material. | The chemical formula is: Mg2NiF.
The XRD pattern shows main peaks at: 16.3°(0.3), 27.9°(0.27), 33.0°(0.5), 36.6°(0.12), 38.0°(0.07), 41.6°(1.0), 51.2°(0.07), 54.9°(0.2), 64.8°(0.23), 65.5°(0.23), 81.3°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-179959 | 5.93 5.93 5.93
147 147 47
Mg -0.000 0.000 -0.000
Mg 0.250 0.750 0.500
Ni 0.750 0.250 0.500
F 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: CrSBr.
The XRD pattern shows main peaks at: 11.1°(0.15), 21.8°(1.0), 29.3°(0.14), 31.5°(0.17), 33.8°(0.98), 38.0°(0.41), 45.5°(0.13), 46.8°(0.47), 51.8°(0.57), 56.7°(0.13), 59.7°(0.06), 60.7°(0.12), 61.3°(0.14), 65.8°(0.17), 71.2°(0.07), 74.9°(0.11), 83.6°(0.08), 84.2°(0.11), 85.8°(0.06).
Gener... | JVASP-91316 | 3.54 4.74 7.98
90 90 90
Cr 0.750 0.250 0.872
Cr 0.250 0.750 0.128
S 0.750 0.750 0.926
S 0.250 0.250 0.074
Br 0.250 0.250 0.649
Br 0.750 0.750 0.351 |
Below is a description of a material. | The chemical formula is: ThP3.
The XRD pattern shows main peaks at: 17.0°(0.92), 21.8°(0.56), 23.7°(1.0), 27.2°(0.34), 28.4°(0.45), 32.2°(0.8), 32.7°(0.67), 34.1°(0.53), 40.2°(0.66), 41.5°(0.42), 41.9°(0.13), 44.5°(0.19), 45.1°(0.24), 48.6°(0.18), 49.2°(0.23), 50.6°(0.31), 54.2°(0.14), 57.9°(0.16), 62.0°(0.14), 65.2°(0... | JVASP-123626 | 4.02 4.08 5.60
92 111 90
Th 0.336 -0.015 0.671
P 0.623 0.099 0.246
P 0.126 0.425 0.251
P 0.916 0.491 0.832 |
Below is a description of a material. | The chemical formula is: TiS2.
The XRD pattern shows main peaks at: 15.7°(0.58), 30.3°(0.27), 36.8°(1.0), 53.0°(0.59), 66.3°(0.2), 78.3°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-10740 | 6.91 6.91 6.91
119 119 89
Ti 0.000 0.500 0.500
Ti 0.000 0.500 1.000
Ti 0.000 0.000 0.500
Ti 0.500 0.500 0.000
S 0.247 0.749 0.498
S 0.751 0.253 0.002
S 0.751 0.749 0.002
S 0.751 0.749 0.498
S 0.249 0.251 0.502
S 0.249 0.251 -0.002
S 0.249 0.747 -0.002
S 0.753 0.251 0.502 |
Below is a description of a material. | The chemical formula is: BaPb2Se.
The XRD pattern shows main peaks at: 20.5°(0.17), 24.1°(0.19), 29.1°(0.86), 32.7°(1.0), 38.3°(0.07), 41.6°(0.34), 43.8°(0.1), 46.8°(0.05), 48.8°(0.16), 53.9°(0.51), 57.8°(0.08), 60.3°(0.11), 62.0°(0.07), 68.3°(0.16), 70.3°(0.17), 81.1°(0.07), 85.1°(0.22).
Generate atomic structure desc... | JVASP-179158 | 4.34 4.34 7.05
90 90 90
Ba 0.500 0.500 0.000
Pb 0.000 -0.000 0.705
Pb -0.000 0.000 0.295
Se 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: ZrGaCo4.
The XRD pattern shows main peaks at: 37.8°(0.38), 44.6°(1.0), 46.7°(0.3), 68.2°(0.13), 73.0°(0.28), 80.7°(0.23).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-179286 | 4.76 4.76 4.76
60 60 60
Zr 0.000 0.000 0.000
Ga 0.750 0.750 0.750
Co 0.376 0.376 0.872
Co 0.376 0.872 0.376
Co 0.872 0.376 0.376
Co 0.376 0.376 0.376 |
Below is a description of a material. | The chemical formula is: MgInSe.
The XRD pattern shows main peaks at: 10.0°(0.72), 20.2°(0.15), 29.4°(1.0), 30.4°(0.4), 31.2°(0.21), 35.9°(0.15), 42.1°(0.37), 42.8°(0.62), 43.4°(0.09), 47.1°(0.07), 51.2°(0.08), 52.8°(0.35), 61.0°(0.12), 69.2°(0.16), 69.7°(0.15), 77.4°(0.21).
Generate atomic structure description with l... | JVASP-139230 | 3.04 3.04 8.81
90 90 90
Mg 0.000 0.000 0.694
In 0.000 0.000 0.320
Se 0.000 0.000 -0.005 |
Below is a description of a material. | The chemical formula is: PrCl2.
The XRD pattern shows main peaks at: 17.5°(1.0), 24.8°(0.11), 27.6°(0.51), 30.4°(0.12), 35.4°(0.34), 37.5°(0.67), 39.7°(0.23), 45.5°(0.25), 50.9°(0.11), 52.5°(0.13), 53.9°(0.09), 58.9°(0.14), 63.2°(0.11), 66.1°(0.1), 70.6°(0.14), 74.5°(0.07), 76.1°(0.13), 86.2°(0.06), 87.9°(0.06).
Genera... | JVASP-156127 | 7.18 7.18 3.61
90 90 90
Pr 0.000 0.000 0.000
Pr 0.500 0.500 0.500
Cl 0.279 0.279 0.000
Cl 0.721 0.721 0.000
Cl 0.779 0.221 0.500
Cl 0.221 0.779 0.500 |
Below is a description of a material. | The chemical formula is: YGaCo.
The XRD pattern shows main peaks at: 34.7°(1.0), 43.6°(0.52), 48.9°(0.12), 56.9°(0.23), 67.6°(0.26), 74.3°(0.19), 80.1°(0.08), 82.1°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-178773 | 4.15 4.15 3.73
90 90 120
Y 0.000 0.000 0.000
Ga 0.667 0.333 0.500
Co 0.333 0.667 0.500 |
Below is a description of a material. | The chemical formula is: LiErAu2.
The XRD pattern shows main peaks at: 22.7°(0.19), 26.3°(0.19), 37.5°(1.0), 44.3°(0.1), 46.3°(0.05), 54.1°(0.16), 61.1°(0.08), 67.6°(0.35), 80.0°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-41917 | 4.80 4.80 4.80
60 60 60
Li 0.750 0.750 0.750
Er 0.250 0.250 0.250
Au 0.500 0.500 0.500
Au 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: BaFe2P2O8.
The XRD pattern shows main peaks at: 21.2°(0.23), 22.2°(0.16), 22.7°(0.67), 28.0°(0.63), 28.7°(1.0), 33.6°(0.3), 34.4°(0.47), 36.5°(0.4), 37.3°(0.68), 39.2°(0.13), 43.8°(0.44), 46.3°(0.13), 47.1°(0.11), 47.9°(0.2), 51.7°(0.09), 59.4°(0.14), 60.3°(0.16), 61.3°(0.34), 66.2°(0.18), 67.7... | JVASP-166146 | 4.82 4.92 8.28
105 106 59
Ba -0.000 0.000 -0.000
Fe 0.199 0.154 0.507
Fe 0.801 0.846 0.493
P 0.580 0.577 0.728
P 0.420 0.423 0.272
O 0.859 0.559 0.657
O 0.141 0.441 0.343
O 0.642 0.646 0.922
O 0.358 0.354 0.078
O 0.244 0.851 0.656
O 0.756 0.149 0.344
O 0.571 0.250 0.672
O 0.429 0.750 0.328 |
Below is a description of a material. | The chemical formula is: U5P3Se2.
The XRD pattern shows main peaks at: 27.2°(0.48), 31.7°(1.0), 45.5°(0.29), 53.6°(0.12), 56.1°(0.07), 56.8°(0.07), 75.3°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-168175 | 7.94 20.03 6.93
30 54 60
U 0.239 0.207 0.483
U 0.250 0.392 0.532
U 0.761 0.207 0.482
U 0.250 0.608 0.468
U 0.750 0.392 0.509
U 0.261 0.793 0.517
U 0.750 0.608 0.491
U 0.250 0.000 0.500
U 0.739 0.793 0.518
U 0.750 -0.000 0.500
P -0.000 0.198 0.004
P 0.000 0.408 0.980
P 0.500 0.195 0.013
P -0.000 0.805 0.987
P 0.500 0.59... |
Below is a description of a material. | The chemical formula is: DyS.
The XRD pattern shows main peaks at: 28.0°(0.76), 32.5°(1.0), 46.6°(0.72), 55.3°(0.39), 58.0°(0.24), 68.0°(0.1), 77.4°(0.29), 86.5°(0.25).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-14566 | 3.90 3.90 3.90
60 60 60
Dy 0.000 0.000 0.000
S 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: V2ZnO5.
The XRD pattern shows main peaks at: 15.6°(0.14), 17.4°(0.64), 19.1°(0.19), 23.5°(0.34), 26.2°(1.0), 29.4°(1.0), 30.6°(0.17), 35.5°(0.53), 36.3°(0.3), 37.2°(0.39), 38.8°(0.18), 43.7°(0.28), 48.1°(0.13), 50.5°(0.34), 54.2°(0.3), 54.9°(0.13), 59.5°(0.23), 61.7°(0.35), 70.3°(0.13).
Generat... | JVASP-10353 | 3.61 5.40 11.35
90 90 109
V 0.203 0.405 0.598
V 0.797 0.595 0.402
V 0.797 0.595 0.098
V 0.203 0.405 0.902
Zn 0.900 0.801 0.750
Zn 0.100 0.199 0.250
O 0.697 0.393 0.250
O 0.303 0.607 0.750
O 0.234 0.468 0.073
O 0.766 0.532 0.927
O 0.766 0.532 0.573
O 0.234 0.468 0.427
O 0.043 0.087 0.628
O 0.957 0.913 0.372
O 0.043 0.08... |
Below is a description of a material. | The chemical formula is: Li2ScO2.
The XRD pattern shows main peaks at: 16.2°(0.66), 33.0°(0.13), 37.0°(1.0), 47.2°(0.61), 50.1°(0.07), 58.9°(0.27), 61.3°(0.18), 71.6°(0.1), 78.7°(0.1), 80.9°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-180149 | 3.13 3.13 5.46
90 90 119
Li 0.667 0.333 0.374
Li 0.333 0.667 0.626
Sc -0.000 -0.000 -0.000
O 0.667 0.333 0.747
O 0.333 0.667 0.253 |
Below is a description of a material. | The chemical formula is: NpAl2.
The XRD pattern shows main peaks at: 19.8°(0.76), 32.6°(1.0), 38.4°(0.86), 46.8°(0.1), 58.2°(0.37), 62.1°(0.1), 68.3°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-17787 | 5.49 5.49 5.49
60 60 60
Np 0.875 0.875 0.875
Np 0.125 0.125 0.125
Al 0.500 0.500 0.500
Al 0.500 0.500 0.000
Al 0.000 0.500 0.500
Al 0.500 0.000 0.500 |
Below is a description of a material. | The chemical formula is: NbVMo.
The XRD pattern shows main peaks at: 23.3°(0.15), 39.9°(1.0), 40.9°(0.97), 58.4°(0.34), 71.7°(0.18), 73.7°(0.3), 74.4°(0.15), 86.0°(0.1), 88.6°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-187330 | 2.81 4.42 4.42
120 90 90
Mo 0.003 0.000 0.000
Nb 0.675 0.333 0.667
V 0.322 0.667 0.333 |
Below is a description of a material. | The chemical formula is: Mn3O4.
The XRD pattern shows main peaks at: 17.9°(0.19), 28.9°(0.36), 30.8°(0.15), 32.5°(0.81), 35.8°(1.0), 36.4°(0.12), 38.3°(0.17), 44.1°(0.21), 51.1°(0.23), 55.8°(0.05), 58.0°(0.32), 59.8°(0.62), 64.1°(0.22), 73.7°(0.12), 82.1°(0.05).
Generate atomic structure description with lattice length... | JVASP-163983 | 5.81 6.24 5.81
62 90 62
Mn 0.125 0.250 0.375
Mn 0.875 0.750 0.625
Mn 0.500 0.500 0.500
Mn -0.000 -0.000 0.000
Mn 0.500 -0.000 0.000
Mn 0.500 0.500 0.000
O 0.271 0.510 0.245
O 0.255 0.990 0.229
O 0.745 0.010 0.219
O 0.745 0.010 0.771
O 0.281 0.490 0.755
O 0.729 0.490 0.755
O 0.719 0.510 0.245
O 0.255 0.990 0.781 |
Below is a description of a material. | The chemical formula is: Nb2Te3.
The XRD pattern shows main peaks at: 13.8°(0.34), 27.9°(0.59), 29.6°(1.0), 30.0°(0.77), 31.0°(0.86), 34.6°(0.51), 35.2°(0.33), 36.2°(0.52), 36.9°(0.51), 37.6°(0.22), 38.1°(0.95), 40.4°(0.19), 43.9°(0.6), 45.0°(0.18), 47.6°(0.09), 49.0°(0.51), 49.9°(0.15), 51.8°(0.16), 57.3°(0.17), 58.6°... | JVASP-85213 | 3.72 7.86 9.30
76 78 76
Nb 0.668 0.548 0.116
Nb 0.332 0.452 0.884
Nb 0.756 0.114 0.374
Nb 0.244 0.886 0.626
Te 0.411 0.856 0.323
Te 0.873 0.212 0.043
Te 0.123 0.404 0.349
Te 0.877 0.596 0.651
Te 0.589 0.144 0.677
Te 0.127 0.788 0.957 |
Below is a description of a material. | The chemical formula is: NaSe2O6.
The XRD pattern shows main peaks at: 17.3°(0.38), 18.3°(0.74), 19.6°(0.13), 24.1°(0.35), 24.6°(1.0), 25.3°(0.51), 27.0°(0.96), 28.2°(0.13), 29.2°(0.42), 32.7°(0.14), 33.7°(0.36), 35.1°(0.19), 39.5°(0.28), 41.1°(0.2), 41.9°(0.18), 43.2°(0.11), 49.8°(0.09), 52.2°(0.09), 53.7°(0.2), 57.6°... | JVASP-112933 | 5.12 5.43 10.30
70 90 90
Na 0.180 -0.002 0.483
Na 0.820 -0.002 -0.017
Se 0.534 0.344 0.686
Se 0.466 0.344 0.186
Se 0.092 0.655 0.801
Se -0.092 0.655 0.301
O 0.043 0.373 0.303
O 0.957 0.373 0.803
O 0.049 0.913 0.191
O 0.951 0.913 0.691
O 0.538 0.098 0.327
O 0.407 0.654 0.718
O 0.593 0.654 0.218
O 0.129 0.672 0.957
O 0.6... |
Below is a description of a material. | The chemical formula is: Ba4ScSb.
The XRD pattern shows main peaks at: 15.2°(0.29), 25.0°(0.14), 29.3°(1.0), 30.7°(0.62), 35.6°(0.14), 38.9°(0.08), 43.9°(0.06), 46.8°(0.38), 51.2°(0.37), 53.7°(0.07), 60.1°(0.14), 60.9°(0.26), 71.8°(0.23), 75.3°(0.06), 82.8°(0.08), 83.5°(0.06).
Generate atomic structure description with... | JVASP-64856 | 7.14 7.14 7.14
60 60 60
Ba 0.128 0.624 0.624
Ba 0.624 0.624 0.624
Ba 0.624 0.128 0.624
Ba 0.624 0.624 0.128
Sc 0.000 0.000 0.000
Sb 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: YCrF5.
The XRD pattern shows main peaks at: 16.9°(0.13), 21.6°(0.9), 23.8°(0.14), 24.9°(1.0), 26.1°(0.62), 33.2°(0.2), 34.1°(0.2), 41.1°(0.09), 43.1°(0.27), 44.0°(0.25), 45.3°(0.34), 48.7°(0.17), 50.7°(0.19), 51.2°(0.33), 51.9°(0.16), 53.6°(0.09), 63.3°(0.14), 65.0°(0.2), 71.2°(0.07).
Generate ... | JVASP-8382 | 4.19 5.75 5.75
73 68 68
Y 0.500 0.500 0.500
Cr 0.000 0.000 0.000
F 0.500 0.819 0.181
F 0.500 0.181 0.819
F 0.766 0.234 0.234
F 0.234 0.766 0.766
F -0.000 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Ag9Ge2IO8.
The XRD pattern shows main peaks at: 20.2°(0.09), 23.2°(0.13), 28.7°(0.14), 30.5°(0.73), 31.3°(0.96), 33.5°(0.26), 34.3°(0.87), 35.1°(1.0), 36.6°(0.37), 45.5°(0.15), 47.4°(0.26), 52.0°(0.05), 55.1°(0.17), 55.5°(0.3), 56.2°(0.11), 57.7°(0.08), 60.3°(0.13), 64.3°(0.13), 66.1°(0.16), 67... | JVASP-176822 | 5.73 6.67 9.70
110 104 90
Ag 0.277 0.803 0.607
Ag 0.500 0.740 0.000
Ag 0.723 0.197 0.393
Ag 0.289 0.403 0.356
Ag 0.289 0.953 0.356
Ag -0.000 0.500 -0.000
Ag 0.711 0.047 0.644
Ag 0.711 0.597 0.644
Ag 0.500 0.260 -0.000
Ge 0.225 0.346 0.691
Ge 0.775 0.654 0.309
I -0.000 0.000 -0.000
O 0.870 0.756 0.512
O 0.130 0.244 0.48... |
Below is a description of a material. | The chemical formula is: CaCu2Si2.
The XRD pattern shows main peaks at: 17.9°(0.31), 34.9°(0.19), 36.0°(1.0), 44.4°(0.43), 48.3°(0.32), 51.1°(0.07), 57.7°(0.08), 58.6°(0.09), 64.6°(0.13), 70.0°(0.06), 76.3°(0.2), 84.7°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-92769 | 4.08 4.08 5.74
110 110 90
Ca 0.000 0.000 0.000
Cu 0.250 0.750 0.500
Cu 0.750 0.250 0.500
Si 0.620 0.620 0.239
Si 0.380 0.380 0.761 |
Below is a description of a material. | The chemical formula is: TbSi2Ag2.
The XRD pattern shows main peaks at: 22.9°(0.22), 33.0°(0.23), 33.3°(0.17), 34.7°(1.0), 43.4°(0.33), 47.6°(0.12), 55.8°(0.17), 60.5°(0.14), 63.1°(0.09), 73.2°(0.07), 74.0°(0.2), 86.1°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types... | JVASP-15420 | 4.17 4.17 6.13
109 109 90
Tb 0.000 0.000 0.000
Si 0.607 0.607 0.214
Si 0.393 0.393 0.786
Ag 0.250 0.750 0.500
Ag 0.750 0.250 0.500 |
Below is a description of a material. | The chemical formula is: Y2IrPd.
The XRD pattern shows main peaks at: 22.3°(0.07), 25.8°(0.07), 36.7°(1.0), 53.0°(0.17), 66.2°(0.39), 78.2°(0.12), 89.6°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-41677 | 4.89 4.89 4.89
60 60 60
Y 0.500 0.500 0.500
Y 0.000 0.000 0.000
Ir 0.250 0.250 0.250
Pd 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: Zr2TcRu.
The XRD pattern shows main peaks at: 38.9°(1.0), 56.2°(0.17), 70.5°(0.33), 83.6°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-102592 | 4.63 4.63 4.63
60 60 60
Zr 0.250 0.250 0.250
Zr 0.750 0.750 0.750
Tc 0.000 0.000 0.000
Ru 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: TiZnBi2O6.
The XRD pattern shows main peaks at: 18.0°(0.31), 23.8°(0.22), 30.0°(1.0), 33.9°(0.35), 36.5°(0.11), 38.7°(0.2), 44.0°(0.17), 48.7°(0.19), 50.7°(0.25), 52.4°(0.08), 54.9°(0.05), 58.3°(0.31), 61.7°(0.12), 62.4°(0.1), 67.8°(0.09), 71.4°(0.06), 79.3°(0.07), 81.4°(0.06), 82.3°(0.11).
Gen... | JVASP-11610 | 5.29 5.29 4.92
90 90 90
Ti 0.500 0.500 0.415
Zn 0.000 0.000 0.445
Bi 0.000 0.500 0.993
Bi 0.500 0.000 0.993
O 0.257 0.257 0.274
O 0.257 0.743 0.274
O 0.000 0.000 0.831
O 0.500 0.500 0.780
O 0.743 0.743 0.274
O 0.743 0.257 0.274 |
Below is a description of a material. | The chemical formula is: Dy2OsPd.
The XRD pattern shows main peaks at: 37.0°(1.0), 53.3°(0.18), 66.6°(0.34), 78.7°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-37868 | 4.86 4.86 4.86
60 60 60
Dy 0.500 0.500 0.500
Dy 0.000 0.000 0.000
Os 0.250 0.250 0.250
Pd 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: MgPH.
The XRD pattern shows main peaks at: 13.0°(0.25), 26.1°(0.76), 33.1°(1.0), 35.7°(0.07), 39.6°(0.11), 42.6°(0.66), 47.5°(0.3), 52.5°(0.16), 55.0°(0.31), 63.5°(0.09), 64.5°(0.1), 69.5°(0.1), 74.5°(0.07), 75.6°(0.12), 78.4°(0.1), 79.2°(0.14), 85.1°(0.19), 87.8°(0.08).
Generate atomic structu... | JVASP-115071 | 2.70 2.70 6.83
90 90 90
Mg 0.000 0.000 0.612
P 0.000 0.000 0.043
H 0.000 0.000 0.259 |
Below is a description of a material. | The chemical formula is: BeZnCo.
The XRD pattern shows main peaks at: 14.9°(0.54), 30.2°(0.24), 41.1°(0.2), 43.9°(1.0), 45.9°(0.23), 51.8°(0.56), 63.3°(0.13), 74.8°(0.15), 77.7°(0.19), 82.7°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-72771 | 2.54 2.54 5.93
90 90 120
Be 0.000 0.000 0.971
Zn 0.667 0.333 0.336
Co 0.333 0.667 0.694 |
Below is a description of a material. | The chemical formula is: LiMoO2.
The XRD pattern shows main peaks at: 16.6°(1.0), 33.5°(0.11), 37.6°(0.43), 38.9°(0.23), 43.7°(0.58), 47.0°(0.22), 51.2°(0.06), 55.2°(0.12), 59.9°(0.2), 67.0°(0.14), 69.6°(0.13), 83.5°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-7895 | 5.59 5.59 5.59
28 28 28
Li 0.500 0.500 0.500
Mo 0.000 0.000 0.000
O 0.246 0.246 0.246
O 0.754 0.754 0.754 |
Below is a description of a material. | The chemical formula is: RbPd2S2.
The XRD pattern shows main peaks at: 14.4°(0.51), 22.2°(0.07), 29.1°(0.27), 30.4°(0.35), 33.3°(1.0), 42.2°(0.21), 42.7°(0.44), 45.3°(0.11), 52.5°(0.21), 53.3°(0.13), 54.3°(0.36), 60.4°(0.06), 61.9°(0.15), 69.9°(0.09), 72.2°(0.2), 76.7°(0.11), 77.8°(0.07), 86.9°(0.18).
Generate atomic s... | JVASP-184818 | 6.83 6.83 6.83
143 143 52
Rb 0.000 0.000 0.000
Pd 0.750 0.250 0.500
Pd 0.250 0.750 0.500
S 0.352 0.352 -0.000
S 0.648 0.648 -0.000 |
Below is a description of a material. | The chemical formula is: LiVGeO5.
The XRD pattern shows main peaks at: 19.5°(0.85), 23.9°(0.29), 27.5°(1.0), 33.9°(0.82), 38.8°(0.06), 39.7°(0.07), 42.1°(0.09), 43.7°(0.13), 44.6°(0.2), 46.4°(0.09), 48.9°(0.1), 56.7°(0.29), 57.3°(0.09), 60.5°(0.23), 61.0°(0.08), 63.5°(0.06), 64.7°(0.12), 67.1°(0.1), 68.3°(0.09), 78.6°(... | JVASP-48109 | 6.50 6.50 4.55
90 90 88
Li -0.000 0.500 0.000
Li 0.500 0.000 0.000
V 0.250 0.250 0.618
V 0.750 0.750 0.382
Ge 0.250 0.750 0.500
Ge 0.750 0.250 0.500
O 0.030 0.742 0.269
O 0.250 0.250 0.260
O 0.242 0.530 0.731
O 0.258 0.970 0.731
O 0.470 0.758 0.269
O 0.530 0.242 0.731
O 0.742 0.030 0.269
O 0.758 0.470 0.269
O 0.750 0.7... |
Below is a description of a material. | The chemical formula is: AlC.
The XRD pattern shows main peaks at: 27.8°(0.25), 28.5°(1.0), 30.7°(0.19), 31.9°(0.45), 35.8°(0.25), 36.1°(0.24), 41.9°(0.16), 45.0°(0.42), 47.0°(0.24), 47.4°(0.22), 55.2°(0.14), 56.5°(0.18), 57.5°(0.17), 63.6°(0.1), 67.1°(0.06), 68.0°(0.08), 69.1°(0.06), 71.1°(0.06), 79.3°(0.05), 81.7°(0.... | JVASP-134888 | 4.44 6.07 3.21
89 47 101
Al 0.094 0.014 0.138
Al 0.405 0.650 0.830
C 0.195 0.220 0.538
C 0.304 0.444 0.431 |
Below is a description of a material. | The chemical formula is: MgCu2P2O8.
The XRD pattern shows main peaks at: 14.8°(0.4), 19.0°(0.12), 21.8°(0.16), 23.8°(0.29), 27.7°(0.12), 29.1°(0.7), 29.8°(1.0), 32.1°(0.77), 33.0°(0.2), 34.8°(0.62), 37.3°(0.36), 38.6°(0.17), 44.5°(0.16), 45.4°(0.19), 45.9°(0.11), 50.3°(0.15), 56.0°(0.12), 57.1°(0.13), 63.3°(0.13), 64.2... | JVASP-176451 | 4.87 5.29 6.34
71 86 68
Mg 0.281 0.245 0.310
Cu 0.999 -0.000 0.998
Cu 0.722 0.777 0.684
P 0.641 0.643 0.227
P 0.360 0.350 0.777
O 0.609 0.849 0.365
O 0.386 0.153 0.634
O 0.333 0.637 0.176
O 0.668 0.354 0.830
O 0.766 0.774 0.999
O 0.234 0.223 0.002
O 0.849 0.341 0.344
O 0.153 0.655 0.655 |
Below is a description of a material. | The chemical formula is: AsPRh2.
The XRD pattern shows main peaks at: 24.8°(0.15), 41.0°(1.0), 48.5°(0.08), 59.4°(0.15), 74.7°(0.31), 88.9°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-75634 | 4.40 4.40 4.40
60 60 60
As 0.500 0.500 0.500
P 0.750 0.750 0.750
Rh 0.000 0.000 0.000
Rh 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: PdF3.
The XRD pattern shows main peaks at: 24.1°(1.0), 32.4°(0.41), 36.1°(0.17), 43.8°(0.18), 49.3°(0.15), 53.1°(0.33), 55.4°(0.09), 58.0°(0.17), 62.6°(0.13), 64.8°(0.12), 67.9°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-17268 | 5.58 5.58 5.58
52 52 52
Pd 0.500 0.500 0.500
Pd 0.000 0.000 0.000
F 0.750 0.091 0.409
F 0.091 0.409 0.750
F 0.591 0.250 0.909
F 0.909 0.591 0.250
F 0.250 0.909 0.591
F 0.409 0.750 0.091 |
Below is a description of a material. | The chemical formula is: Nd2MgIn.
The XRD pattern shows main peaks at: 19.9°(0.1), 23.1°(0.14), 32.8°(1.0), 38.7°(0.06), 47.1°(0.19), 53.1°(0.07), 58.6°(0.39), 68.8°(0.11), 78.4°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-41010 | 5.45 5.45 5.45
60 60 60
Nd 0.000 0.000 0.000
Nd 0.500 0.500 0.500
Mg 0.750 0.750 0.750
In 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: Rb2U2O7.
The XRD pattern shows main peaks at: 12.6°(0.52), 25.4°(0.38), 25.8°(0.25), 26.8°(1.0), 30.6°(0.46), 43.0°(0.27), 44.8°(0.25), 46.8°(0.08), 50.6°(0.16), 52.2°(0.29), 52.9°(0.11), 55.3°(0.09), 63.7°(0.05), 67.8°(0.05), 71.1°(0.13), 72.0°(0.07).
Generate atomic structure description with... | JVASP-146688 | 4.05 6.99 7.39
71 90 90
Rb 0.000 0.497 0.511
Rb 0.500 0.003 0.494
U 0.000 0.980 0.003
U 0.500 0.514 0.009
O 0.500 0.596 0.737
O 0.000 0.080 0.737
O 0.500 0.419 0.282
O 0.000 0.899 0.270
O 0.500 0.843 0.994
O 0.000 0.616 0.016
O 0.500 0.198 0.014 |
Below is a description of a material. | The chemical formula is: NaCr5Se8.
The XRD pattern shows main peaks at: 9.7°(0.27), 10.4°(0.45), 12.1°(0.29), 31.1°(0.41), 31.7°(1.0), 32.9°(0.53), 33.9°(0.19), 36.9°(0.17), 37.9°(0.23), 39.7°(0.26), 40.9°(0.16), 44.8°(0.14), 46.0°(0.16), 48.1°(0.11), 49.9°(0.53), 55.4°(0.12), 57.8°(0.13), 59.8°(0.12), 61.5°(0.07), 69.... | JVASP-152945 | 9.67 9.67 8.86
74 74 21
Na 0.500 0.500 0.500
Cr 0.000 0.000 0.000
Cr 0.655 0.655 0.034
Cr 0.345 0.345 0.966
Cr 0.704 0.704 0.665
Cr 0.296 0.296 0.335
Se 0.424 0.424 0.153
Se 0.576 0.576 0.847
Se 0.921 0.921 0.807
Se 0.079 0.079 0.193
Se 0.831 0.831 0.492
Se 0.169 0.169 0.508
Se 0.763 0.763 0.153
Se 0.237 0.237 0.847 |
Below is a description of a material. | The chemical formula is: ZrSiSe.
The XRD pattern shows main peaks at: 10.4°(0.23), 20.9°(0.25), 26.6°(0.19), 31.6°(0.19), 32.3°(0.42), 34.8°(0.68), 36.4°(0.46), 40.3°(1.0), 40.9°(0.62), 50.0°(0.48), 54.8°(0.07), 60.0°(0.28), 60.8°(0.14), 66.1°(0.43), 73.4°(0.15), 81.8°(0.24), 83.8°(0.1), 84.8°(0.08), 87.2°(0.1), 87.6°(... | JVASP-15421 | 3.65 3.65 8.50
90 90 90
Zr 0.500 0.000 0.745
Zr 0.000 0.500 0.255
Si 0.500 0.500 0.000
Si 0.000 0.000 0.000
Se 0.000 0.500 0.625
Se 0.500 0.000 0.375 |
Below is a description of a material. | The chemical formula is: AlCoS.
The XRD pattern shows main peaks at: 26.8°(0.32), 27.5°(0.2), 38.7°(1.0), 48.6°(0.53), 55.1°(0.13), 56.3°(0.22), 63.8°(0.19), 76.5°(0.29), 84.0°(0.19).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-186528 | 3.75 3.75 3.33
90 90 120
Al -0.000 -0.000 -0.000
Co 0.333 0.667 0.500
S 0.667 0.333 0.500 |
Below is a description of a material. | The chemical formula is: BCl.
The XRD pattern shows main peaks at: 28.0°(1.0), 30.2°(0.14), 31.7°(0.27), 34.0°(0.07), 35.8°(0.07), 45.4°(0.09), 47.1°(0.11), 54.1°(0.15), 58.4°(0.05), 85.6°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-56951 | 7.99 7.99 5.28
90 90 90
B 0.395 0.500 0.887
B 0.000 0.895 0.387
B 0.000 0.105 0.387
B 0.500 0.605 0.113
B 0.500 0.395 0.113
B 0.605 0.500 0.887
B 0.895 0.000 0.613
B 0.105 0.000 0.613
Cl 0.500 0.779 0.307
Cl 0.279 0.000 0.807
Cl 0.721 0.000 0.807
Cl 0.000 0.279 0.193
Cl 0.000 0.721 0.193
Cl 0.500 0.221 0.307
Cl 0.779 0... |
Below is a description of a material. | The chemical formula is: KSn2Hg2.
The XRD pattern shows main peaks at: 15.0°(0.65), 18.9°(0.23), 28.9°(1.0), 35.0°(0.7), 38.3°(0.28), 39.4°(0.79), 40.1°(0.07), 42.2°(0.09), 45.8°(0.11), 50.3°(0.24), 52.9°(0.2), 55.9°(0.08), 59.1°(0.31), 65.7°(0.36), 70.7°(0.06), 74.2°(0.16), 76.1°(0.13), 84.5°(0.12), 86.5°(0.06), 87.2°... | JVASP-158211 | 6.92 6.92 6.92
136 136 63
K 0.000 0.000 0.000
Sn 0.378 0.378 -0.000
Sn 0.622 0.622 -0.000
Hg 0.750 0.250 0.500
Hg 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: Y2AgAu.
The XRD pattern shows main peaks at: 21.4°(0.07), 24.7°(0.08), 35.3°(1.0), 50.7°(0.19), 63.3°(0.38), 74.6°(0.11), 85.3°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-110883 | 5.09 5.09 5.09
60 60 60
Y 0.250 0.250 0.250
Y 0.750 0.750 0.750
Ag 0.500 0.500 0.500
Au 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: YAl3B4O12.
The XRD pattern shows main peaks at: 16.4°(0.33), 19.0°(0.21), 25.2°(0.42), 26.9°(0.11), 31.7°(0.28), 33.1°(1.0), 38.5°(0.43), 42.1°(0.26), 46.6°(0.11), 47.6°(0.28), 54.6°(0.24), 55.5°(0.22), 88.7°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates... | JVASP-21124 | 5.92 5.92 5.92
104 104 104
Y 0.000 0.000 0.000
Al -0.000 0.556 0.444
Al 0.444 -0.000 0.556
Al 0.556 0.444 0.000
B 0.057 0.500 0.943
B 0.500 0.500 0.500
B 0.943 0.057 0.500
B 0.500 0.943 0.057
O 0.780 0.029 0.628
O 0.628 0.780 0.029
O 0.029 0.628 0.780
O 0.351 0.649 0.500
O 0.649 0.500 0.351
O 0.091 0.909 0.500
O 0.500 ... |
Below is a description of a material. | The chemical formula is: TbGaFe.
The XRD pattern shows main peaks at: 24.1°(0.21), 34.8°(1.0), 42.4°(0.46), 50.7°(0.08), 55.9°(0.23), 68.2°(0.22), 72.6°(0.23), 77.5°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-102638 | 4.27 4.27 7.20
90 90 120
Tb 0.000 0.000 0.000
Tb 0.000 0.000 0.500
Ga 0.333 0.667 0.250
Ga 0.667 0.333 0.750
Fe 0.333 0.667 0.750
Fe 0.667 0.333 0.250 |
Below is a description of a material. | The chemical formula is: Mn5NiO12.
The XRD pattern shows main peaks at: 20.0°(1.0), 36.8°(0.23), 38.6°(0.25), 40.0°(0.08), 43.5°(0.05), 45.5°(0.27), 50.2°(0.23), 61.3°(0.13), 64.9°(0.15), 67.7°(0.06), 68.7°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-30353 | 4.97 4.97 9.03
95 95 119
Mn 0.167 0.833 0.500
Mn 0.333 0.667 -0.000
Mn 0.500 0.500 0.500
Mn 0.667 0.333 0.000
Mn 0.833 0.167 0.500
Ni 0.000 0.000 0.000
O 0.869 0.536 0.608
O 0.464 0.131 0.392
O 0.797 0.797 0.392
O 0.634 0.634 0.893
O 0.203 0.203 0.608
O 0.131 0.464 0.392
O 0.536 0.869 0.608
O 0.964 0.295 0.893
O 0.295 ... |
Below is a description of a material. | The chemical formula is: Tb3Y.
The XRD pattern shows main peaks at: 31.1°(1.0), 36.0°(0.51), 51.9°(0.36), 61.7°(0.44), 64.8°(0.12), 76.4°(0.06), 84.8°(0.16), 87.5°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-106276 | 4.99 4.99 4.99
90 90 90
Tb 0.000 0.500 0.500
Tb 0.500 0.000 0.500
Tb 0.500 0.500 0.000
Y 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: TaNb2.
The XRD pattern shows main peaks at: 17.8°(0.05), 28.4°(0.07), 38.4°(1.0), 55.4°(0.15), 69.4°(0.32), 82.2°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-192995 | 3.31 3.31 5.50
107 107 90
Nb 0.667 0.667 0.335
Nb 0.333 0.333 0.665
Ta 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: YRh7.
The XRD pattern shows main peaks at: 39.8°(1.0), 46.3°(0.46), 67.5°(0.31), 81.3°(0.37), 85.8°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-191534 | 5.55 5.55 5.55
60 60 60
Y -0.000 -0.000 -0.000
Rh 0.500 0.500 0.000
Rh 0.000 -0.000 0.500
Rh 0.500 0.000 0.500
Rh -0.000 0.500 -0.000
Rh 0.500 -0.000 0.000
Rh 0.000 0.500 0.500
Rh 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: GaI3.
The XRD pattern shows main peaks at: 13.8°(0.05), 16.2°(0.08), 25.6°(0.86), 26.0°(1.0), 29.6°(0.22), 30.0°(0.33), 42.6°(0.55), 43.4°(0.14), 50.4°(0.35), 51.1°(0.19), 52.6°(0.08), 53.5°(0.07), 62.2°(0.05), 68.5°(0.11).
Generate atomic structure description with lattice lengths, angles, coo... | JVASP-114964 | 7.36 6.03 4.17
89 73 114
Ga 0.575 0.568 0.116
I 0.913 0.953 -0.052
I 0.236 0.615 0.284
I 0.575 0.275 0.616 |
Below is a description of a material. | The chemical formula is: BaBr.
The XRD pattern shows main peaks at: 19.3°(0.11), 22.2°(0.84), 27.4°(1.0), 29.5°(0.08), 35.5°(1.0), 39.1°(0.38), 45.4°(0.53), 53.7°(0.3), 56.5°(0.13), 61.4°(0.32), 63.9°(0.18), 68.5°(0.26), 75.2°(0.11), 77.2°(0.1), 81.7°(0.17), 83.7°(0.09), 88.3°(0.08).
Generate atomic structure descripti... | JVASP-133877 | 4.61 4.61 4.01
90 90 90
Ba 0.000 0.000 0.000
Br 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: CaV2O4.
The XRD pattern shows main peaks at: 17.5°(0.15), 28.8°(0.52), 29.5°(0.09), 34.0°(1.0), 34.5°(0.88), 40.9°(0.19), 41.7°(0.35), 54.0°(0.16), 54.7°(0.24), 55.2°(0.11), 59.8°(0.8), 61.2°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-10059 | 6.19 6.19 6.05
60 60 60
Ca 0.125 0.625 0.625
Ca 0.625 0.125 0.625
V 0.994 0.994 0.006
V 0.256 0.256 0.244
V 0.625 0.625 0.125
V 0.625 0.625 0.625
O 0.391 0.391 0.338
O 0.396 0.877 0.364
O 0.391 0.391 0.880
O 0.877 0.396 0.364
O 0.373 0.854 0.886
O 0.854 0.373 0.886
O 0.859 0.859 0.370
O 0.859 0.859 0.912 |
Below is a description of a material. | The chemical formula is: Sm3Ag.
The XRD pattern shows main peaks at: 25.2°(0.07), 28.7°(0.05), 29.9°(0.55), 33.4°(1.0), 33.9°(0.21), 38.6°(0.19), 44.9°(0.12), 50.8°(0.28), 52.2°(0.09), 60.1°(0.07), 62.4°(0.23), 82.5°(0.06), 84.3°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-122759 | 3.60 3.60 10.59
90 90 120
Sm 0.000 0.000 0.500
Sm 0.333 0.667 0.223
Sm 0.667 0.333 0.777
Ag 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: CeIn5Ir.
The XRD pattern shows main peaks at: 18.8°(0.16), 22.2°(0.13), 29.3°(0.12), 30.4°(0.1), 36.0°(1.0), 38.2°(0.51), 45.2°(0.08), 48.4°(0.05), 53.3°(0.09), 55.1°(0.18), 63.2°(0.09), 67.6°(0.31), 68.4°(0.06), 76.3°(0.05), 81.7°(0.06).
Generate atomic structure description with lattice lengt... | JVASP-17896 | 4.72 4.72 7.53
90 90 90
Ce 0.000 0.000 0.000
In 0.500 0.000 0.698
In 0.000 0.500 0.698
In 0.500 0.500 0.000
In 0.000 0.500 0.302
In 0.500 0.000 0.302
Ir 0.000 0.000 0.500 |
Below is a description of a material. | The chemical formula is: Cs2NaErF6.
The XRD pattern shows main peaks at: 17.0°(0.26), 28.0°(1.0), 34.5°(0.08), 40.0°(0.36), 49.5°(0.37), 57.9°(0.22), 72.7°(0.07), 79.6°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-21945 | 6.37 6.37 6.37
60 60 60
Cs 0.250 0.250 0.250
Cs 0.750 0.750 0.750
Na 0.000 0.000 0.000
Er 0.500 0.500 0.500
F 0.260 0.740 0.740
F 0.260 0.740 0.260
F 0.740 0.260 0.740
F 0.260 0.260 0.740
F 0.740 0.260 0.260
F 0.740 0.740 0.260 |
Below is a description of a material. | The chemical formula is: Ca3CrN3.
The XRD pattern shows main peaks at: 17.4°(0.06), 22.4°(0.18), 27.5°(0.11), 28.3°(0.08), 32.9°(1.0), 33.5°(0.31), 35.2°(0.35), 35.7°(0.77), 37.8°(0.15), 39.6°(0.06), 43.1°(0.23), 45.7°(0.09), 49.5°(0.13), 51.0°(0.22), 55.7°(0.2), 57.1°(0.21), 59.3°(0.08), 62.4°(0.15), 64.6°(0.1), 68.0°... | JVASP-22344 | 5.03 6.61 6.61
101 90 90
Ca 0.250 0.405 0.170
Ca 0.750 0.108 0.892
Ca 0.750 0.170 0.405
Ca 0.250 0.892 0.108
Ca 0.750 0.595 0.830
Ca 0.250 0.830 0.595
Cr 0.750 0.696 0.304
Cr 0.250 0.304 0.696
N 0.750 0.433 0.181
N 0.250 0.127 0.873
N 0.750 0.873 0.127
N 0.250 0.181 0.433
N 0.250 0.567 0.819
N 0.750 0.819 0.567 |
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