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: Hf2BeBi.
The XRD pattern shows main peaks at: 18.7°(0.17), 23.5°(0.3), 30.7°(0.1), 36.1°(1.0), 37.9°(0.24), 43.9°(0.32), 48.1°(0.06), 49.5°(0.06), 50.4°(0.08), 57.9°(0.05), 59.4°(0.24), 63.9°(0.1), 67.3°(0.19), 75.6°(0.26), 76.7°(0.13).
Generate atomic structure description with lattice lengths... | JVASP-68820 | 5.57 5.57 5.57
136 136 63
Hf 0.000 0.000 0.000
Hf 0.250 0.750 0.500
Be 0.500 0.500 0.000
Bi 0.750 0.250 0.500 |
Below is a description of a material. | The chemical formula is: Mg2Te.
The XRD pattern shows main peaks at: 13.5°(1.0), 19.9°(0.96), 21.0°(0.15), 24.2°(0.46), 25.0°(0.64), 29.1°(0.13), 32.2°(0.71), 34.6°(0.47), 40.2°(0.56), 41.3°(0.11), 42.8°(0.18), 45.0°(0.1), 46.2°(0.16), 47.6°(0.19), 48.2°(0.23), 49.7°(0.14), 54.3°(0.25), 60.3°(0.1), 64.8°(0.12), 73.5°(0... | JVASP-139456 | 4.23 4.45 6.56
90 89 90
Mg -0.033 0.000 -0.151
Mg -0.033 0.000 0.418
Te 0.467 0.000 0.133 |
Below is a description of a material. | The chemical formula is: SrMgH2.
The XRD pattern shows main peaks at: 24.1°(0.6), 27.9°(1.0), 39.9°(0.79), 47.1°(0.29), 49.4°(0.25), 57.6°(0.12), 63.4°(0.12), 65.2°(0.34), 72.4°(0.27), 77.6°(0.08), 86.0°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-139071 | 4.52 4.52 4.52
60 60 60
Sr 0.500 0.500 0.500
Mg 0.000 0.000 0.000
H 0.750 0.750 0.750
H 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: La4PtO7.
The XRD pattern shows main peaks at: 12.8°(0.12), 29.0°(0.37), 29.5°(0.55), 30.0°(1.0), 30.6°(0.71), 36.5°(0.05), 39.9°(0.08), 40.9°(0.13), 42.9°(0.2), 44.4°(0.11), 44.8°(0.25), 51.7°(0.08), 52.3°(0.2), 52.9°(0.1), 53.5°(0.22), 54.6°(0.2), 61.3°(0.07), 62.3°(0.08), 63.7°(0.13), 73.4°(0... | JVASP-170562 | 4.05 7.04 7.20
92 73 106
La 0.794 0.217 0.611
La 0.189 0.780 0.387
La 0.584 0.343 0.157
La 0.404 0.662 0.836
Pt 0.992 0.004 0.004
O 0.344 0.147 0.442
O 0.642 0.851 0.550
O 0.056 0.434 0.306
O 0.932 0.570 0.690
O 0.523 0.020 0.958
O 0.193 0.294 0.892
O 0.794 0.713 0.109 |
Below is a description of a material. | The chemical formula is: Mn3CrN3.
The XRD pattern shows main peaks at: 31.9°(0.68), 39.4°(1.0), 45.8°(0.3), 56.9°(0.63), 66.7°(0.06), 71.4°(0.15), 75.9°(0.31), 80.3°(0.12), 84.7°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-140907 | 6.47 6.47 3.96
90 90 119
Mn 0.823 0.646 0.250
Mn 0.823 0.177 0.250
Mn 0.354 0.177 0.250
Mn 0.177 0.354 0.750
Mn 0.177 0.823 0.750
Mn 0.646 0.823 0.750
Cr 0.667 0.333 0.750
Cr 0.333 0.667 0.250
N 0.830 0.659 0.750
N 0.830 0.170 0.750
N 0.341 0.170 0.750
N 0.170 0.341 0.250
N 0.170 0.830 0.250
N 0.659 0.830 0.250 |
Below is a description of a material. | The chemical formula is: CeSe2.
The XRD pattern shows main peaks at: 18.6°(0.48), 32.0°(0.92), 32.7°(1.0), 36.9°(0.56), 41.6°(0.34), 43.0°(0.17), 50.1°(0.46), 50.9°(0.1), 53.1°(0.16), 56.8°(0.1), 62.2°(0.29), 63.8°(0.09), 64.5°(0.18), 69.6°(0.17), 70.7°(0.1), 75.6°(0.14), 76.0°(0.1), 82.5°(0.07), 86.2°(0.14), 87.6°(0.0... | JVASP-94323 | 6.90 5.89 6.90
125 90 125
Ce 0.250 0.500 0.750
Ce 0.000 0.000 0.000
Se 0.125 0.750 0.179
Se 0.625 0.750 0.571
Se 0.429 0.250 0.875
Se 0.821 0.250 0.375 |
Below is a description of a material. | The chemical formula is: K2MnH4Cl4O2.
The XRD pattern shows main peaks at: 16.4°(0.37), 22.0°(0.12), 28.1°(0.35), 33.1°(0.9), 34.7°(1.0), 44.9°(0.2), 49.9°(0.3), 58.0°(0.35), 61.2°(0.22), 69.4°(0.19), 73.2°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-171830 | 6.56 6.56 6.56
104 112 112
K 0.500 0.250 0.750
K 0.500 0.750 0.250
Mn -0.000 0.000 0.000
H 0.154 0.417 0.417
H 0.000 0.583 0.737
H -0.000 0.737 0.583
H 0.846 0.263 0.263
Cl -0.000 0.759 0.248
Cl 0.511 0.752 0.752
Cl 0.489 0.241 0.241
Cl 0.000 0.248 0.759
O 0.000 0.733 0.733
O -0.000 0.267 0.267 |
Below is a description of a material. | The chemical formula is: Al2HgSe4.
The XRD pattern shows main peaks at: 14.0°(0.18), 22.9°(1.0), 26.9°(0.73), 28.1°(0.56), 32.6°(0.11), 35.6°(0.5), 42.7°(0.57), 46.8°(0.87), 68.3°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-142705 | 7.77 7.77 7.77
60 60 60
Al 0.125 0.625 0.625
Al 0.625 0.125 0.625
Al 0.625 0.625 0.125
Al 0.625 0.625 0.625
Hg 0.250 0.250 0.250
Hg 0.000 0.000 0.000
Se 0.831 0.390 0.390
Se 0.390 0.831 0.390
Se 0.390 0.390 0.831
Se 0.390 0.390 0.390
Se 0.419 0.860 0.860
Se 0.860 0.419 0.860
Se 0.860 0.860 0.419
Se 0.860 0.860 0.860 |
Below is a description of a material. | The chemical formula is: NaTl2Pd2.
The XRD pattern shows main peaks at: 13.0°(0.24), 22.5°(1.0), 29.3°(0.4), 30.6°(0.13), 33.4°(0.43), 39.7°(0.52), 40.7°(0.89), 43.9°(0.44), 49.8°(0.23), 53.6°(0.16), 60.6°(0.33), 63.8°(0.15), 65.8°(0.1), 72.0°(0.17), 73.9°(0.08), 77.8°(0.11), 78.5°(0.28), 85.0°(0.06).
Generate atomic s... | JVASP-158124 | 7.40 7.40 7.40
147 147 46
Na 0.000 0.000 0.000
Tl 0.385 0.385 -0.000
Tl 0.615 0.615 0.000
Pd 0.750 0.250 0.500
Pd 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: PuO2.
The XRD pattern shows main peaks at: 28.8°(1.0), 33.3°(0.39), 47.8°(0.47), 56.8°(0.51), 59.6°(0.11), 70.0°(0.08), 77.4°(0.2).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-20527 | 3.80 3.80 3.80
60 60 59
Pu 0.000 0.000 0.000
O 0.750 0.750 0.750
O 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: Nb2VTe4.
The XRD pattern shows main peaks at: 13.3°(0.11), 26.7°(0.08), 29.1°(0.23), 29.7°(0.44), 30.2°(1.0), 31.2°(0.14), 36.4°(0.23), 37.2°(0.14), 38.2°(0.33), 38.7°(0.43), 40.5°(0.09), 41.5°(0.1), 46.7°(0.31), 48.7°(0.22), 49.2°(0.15), 49.8°(0.12), 54.0°(0.13), 58.1°(0.14), 71.0°(0.09), 75.1... | JVASP-155221 | 7.65 7.65 6.83
114 114 28
Nb 0.256 0.256 0.327
Nb 0.744 0.744 0.673
V -0.000 -0.000 0.000
Te 0.362 0.362 0.026
Te 0.098 0.098 0.443
Te 0.902 0.902 0.557
Te 0.638 0.638 0.974 |
Below is a description of a material. | The chemical formula is: AlNi2O4.
The XRD pattern shows main peaks at: 19.0°(0.13), 22.0°(0.1), 31.1°(0.83), 36.4°(1.0), 36.7°(0.82), 44.4°(0.17), 44.8°(0.08), 55.3°(0.11), 58.9°(0.27), 59.3°(0.26), 64.1°(0.14), 64.9°(0.67).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-11648 | 5.75 5.75 5.75
119 120 90
Al -0.000 0.500 -0.000
Al 0.500 0.500 0.500
Ni 0.375 0.125 0.750
Ni 0.625 0.875 0.250
Ni 0.000 0.500 0.500
Ni 0.000 0.000 0.000
O 0.755 0.737 0.519
O 0.218 0.737 0.981
O 0.758 0.728 0.969
O 0.245 0.263 0.481
O 0.242 0.711 0.469
O 0.782 0.263 0.019
O 0.758 0.289 0.531
O 0.242 0.272 0.031 |
Below is a description of a material. | The chemical formula is: AgBiS2.
The XRD pattern shows main peaks at: 15.0°(0.12), 22.3°(0.1), 27.0°(1.0), 30.3°(0.36), 31.7°(0.75), 35.3°(0.07), 44.5°(0.5), 45.5°(0.26), 51.9°(0.23), 53.7°(0.31), 55.6°(0.25), 66.3°(0.08), 71.4°(0.18), 72.4°(0.09), 72.9°(0.06), 74.6°(0.12), 75.3°(0.12), 81.2°(0.07), 83.3°(0.18), 86.0°(... | JVASP-138174 | 3.99 3.99 5.89
90 90 90
Ag 0.000 0.000 0.280
Bi 0.500 0.500 0.782
S 0.000 0.000 0.725
S 0.500 0.500 0.212 |
Below is a description of a material. | The chemical formula is: La3S4.
The XRD pattern shows main peaks at: 24.9°(0.93), 28.9°(0.08), 32.4°(1.0), 38.5°(0.62), 46.4°(0.38), 48.9°(0.25), 51.2°(0.09), 53.4°(0.3), 57.8°(0.08), 65.8°(0.35), 67.8°(0.07), 69.7°(0.16), 79.0°(0.08), 80.8°(0.17).
Generate atomic structure description with lattice lengths, angles, coo... | JVASP-152966 | 7.57 7.57 7.57
109 109 109
La 0.125 0.375 0.750
La 0.375 0.125 0.250
La 0.250 0.875 0.625
La 0.750 0.625 0.875
La 0.625 0.750 0.375
La 0.875 0.250 0.125
S 0.000 -0.000 0.850
S 0.850 0.500 0.500
S 0.500 0.350 0.000
S 0.650 0.150 0.650
S 0.000 0.000 0.350
S 0.350 0.500 0.500
S 0.150 0.650 0.150
S 0.500 0.850 -0.000 |
Below is a description of a material. | The chemical formula is: KBa4Ir.
The XRD pattern shows main peaks at: 15.3°(0.19), 17.7°(0.07), 25.2°(0.19), 29.6°(1.0), 30.9°(0.41), 35.9°(0.07), 40.3°(0.06), 44.3°(0.09), 47.2°(0.35), 51.7°(0.28), 60.7°(0.12), 61.4°(0.18), 72.5°(0.22), 83.7°(0.07).
Generate atomic structure description with lattice lengths, angles, c... | JVASP-64509 | 7.08 7.08 7.08
60 60 60
K 0.000 0.000 0.000
Ba 0.133 0.622 0.622
Ba 0.622 0.622 0.622
Ba 0.622 0.133 0.622
Ba 0.622 0.622 0.133
Ir 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: Li2TiCoO4.
The XRD pattern shows main peaks at: 18.3°(1.0), 36.4°(0.38), 37.7°(0.08), 43.2°(0.27), 44.2°(0.5), 47.4°(0.11), 62.5°(0.08), 64.1°(0.07), 64.7°(0.14), 67.2°(0.06), 80.5°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-171199 | 5.19 10.21 9.79
16 28 32
Li -0.000 0.000 0.000
Li -0.000 0.500 0.000
Ti 0.500 0.000 0.500
Co 0.500 0.500 0.500
O 0.243 0.000 0.240
O 0.296 0.500 0.224
O 0.757 -0.000 0.760
O 0.704 0.500 0.776 |
Below is a description of a material. | The chemical formula is: BeNiRu2.
The XRD pattern shows main peaks at: 24.0°(0.05), 27.6°(0.45), 43.2°(1.0), 44.5°(0.13), 49.0°(0.17), 51.0°(0.32), 59.0°(0.12), 69.9°(0.06), 73.4°(0.19), 75.0°(0.1), 87.7°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-68210 | 4.50 4.50 4.50
133 133 68
Be 0.500 0.500 0.000
Ni 0.750 0.250 0.500
Ru 0.000 0.000 0.000
Ru 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: AgI2.
The XRD pattern shows main peaks at: 9.6°(0.1), 19.3°(0.09), 24.3°(1.0), 29.2°(0.18), 31.2°(0.11), 34.6°(0.42), 38.3°(0.35), 39.3°(0.08), 39.9°(0.06), 45.9°(0.18), 46.7°(0.2), 49.7°(0.15), 53.3°(0.14), 56.0°(0.19), 58.7°(0.09), 64.4°(0.14), 65.1°(0.07), 70.6°(0.11), 83.3°(0.07).
Generate ... | JVASP-136176 | 3.67 3.67 9.18
90 90 90
Ag 0.000 0.000 0.000
I 0.000 0.000 0.285
I 0.000 0.000 0.715 |
Below is a description of a material. | The chemical formula is: TiBeRh2.
The XRD pattern shows main peaks at: 26.1°(0.07), 30.2°(0.51), 43.3°(1.0), 53.7°(0.14), 62.8°(0.16), 71.3°(0.18), 79.4°(0.31).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-40025 | 4.18 4.18 4.18
60 59 59
Ti 0.750 0.750 0.750
Be 0.250 0.250 0.250
Rh 0.000 0.000 0.000
Rh 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Rb2CeCuBr6.
The XRD pattern shows main peaks at: 16.0°(0.28), 22.8°(0.29), 28.0°(0.52), 32.4°(1.0), 46.5°(0.7), 57.8°(0.24), 67.9°(0.1), 77.2°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-168398 | 7.81 7.81 7.81
59 60 59
Rb 0.250 0.250 0.250
Rb 0.750 0.750 0.750
Ce 0.500 0.500 0.500
Cu 0.000 0.000 -0.000
Br 0.240 0.760 0.240
Br 0.760 0.760 0.240
Br 0.760 0.240 0.760
Br 0.760 0.240 0.240
Br 0.240 0.760 0.760
Br 0.240 0.240 0.760 |
Below is a description of a material. | The chemical formula is: LuAlGe.
The XRD pattern shows main peaks at: 17.3°(0.3), 23.8°(0.45), 28.6°(0.76), 31.6°(0.59), 34.4°(1.0), 36.2°(0.31), 38.0°(0.49), 38.5°(0.52), 39.9°(0.56), 45.1°(0.33), 47.4°(0.48), 54.4°(0.12), 56.1°(0.38), 59.2°(0.15), 60.8°(0.36), 70.2°(0.25), 74.8°(0.17), 76.6°(0.2), 78.9°(0.13), 87.6°(... | JVASP-35347 | 4.02 5.52 5.66
90 90 111
Lu 0.313 0.626 0.250
Lu 0.687 0.374 0.750
Al 0.000 0.000 0.000
Al 0.000 0.000 0.500
Ge 0.613 0.226 0.250
Ge 0.387 0.774 0.750 |
Below is a description of a material. | The chemical formula is: BeMo4Se.
The XRD pattern shows main peaks at: 20.8°(0.55), 24.1°(0.08), 34.3°(0.08), 40.5°(1.0), 42.4°(0.68), 49.4°(0.17), 54.1°(0.12), 65.7°(0.31), 72.4°(0.28), 76.3°(0.09), 86.4°(0.11), 87.6°(0.24).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types... | JVASP-65019 | 5.22 5.22 5.22
60 60 60
Be 0.000 0.000 0.000
Mo 0.124 0.625 0.625
Mo 0.625 0.625 0.625
Mo 0.625 0.124 0.625
Mo 0.625 0.625 0.124
Se 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: TaTe2.
The XRD pattern shows main peaks at: 12.8°(0.39), 30.6°(1.0), 38.1°(0.6), 38.9°(0.06), 48.4°(0.2), 48.9°(0.31), 52.8°(0.08), 58.8°(0.14), 63.6°(0.08), 71.3°(0.06), 74.8°(0.11), 79.9°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-128456 | 3.72 3.73 6.94
90 90 120
Ta 0.000 0.333 0.333
Te 0.334 0.000 0.595
Te 0.666 0.666 0.071 |
Below is a description of a material. | The chemical formula is: WN.
The XRD pattern shows main peaks at: 25.7°(0.26), 33.6°(1.0), 38.3°(0.91), 41.1°(0.72), 43.3°(0.39), 46.7°(0.3), 51.1°(0.09), 52.9°(0.07), 57.6°(0.24), 61.2°(0.46), 62.8°(0.15), 65.6°(0.11), 67.1°(0.12), 70.7°(0.06), 73.3°(0.11), 75.8°(0.21), 79.4°(0.16), 82.0°(0.13), 83.8°(0.05).
Generate ... | JVASP-79439 | 2.84 3.46 4.18
89 89 89
W 0.629 0.203 0.002
W 0.129 0.550 0.502
N 0.636 0.040 0.502
N 0.136 0.712 0.002 |
Below is a description of a material. | The chemical formula is: YbAl6Cu6.
The XRD pattern shows main peaks at: 14.5°(0.45), 20.5°(0.14), 29.2°(0.77), 32.4°(0.09), 35.6°(0.13), 36.2°(0.18), 41.4°(1.0), 42.2°(0.33), 46.7°(0.33), 60.5°(0.32), 75.4°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-178256 | 5.04 6.62 6.62
99 112 67
Yb -0.000 0.000 -0.000
Al 0.651 0.349 0.651
Al 0.349 0.651 0.349
Al -0.000 0.346 0.346
Al 0.000 0.654 0.654
Al 0.701 0.799 0.201
Al 0.299 0.201 0.799
Cu 0.500 0.000 0.500
Cu -0.000 0.000 0.500
Cu 0.500 0.500 -0.000
Cu -0.000 0.500 -0.000
Cu 0.500 0.773 0.773
Cu 0.500 0.227 0.227 |
Below is a description of a material. | The chemical formula is: LaCuSi2Ni.
The XRD pattern shows main peaks at: 23.3°(0.36), 35.1°(0.45), 35.7°(1.0), 37.0°(0.14), 43.5°(0.38), 51.9°(0.13), 57.1°(0.22), 58.4°(0.14), 63.3°(0.13), 65.8°(0.15), 74.8°(0.21).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-109169 | 5.68 5.68 5.68
137 137 62
La 0.000 0.000 0.000
Cu 0.250 0.750 0.500
Si 0.628 0.628 0.000
Si 0.372 0.372 -0.000
Ni 0.750 0.250 0.500 |
Below is a description of a material. | The chemical formula is: Sr2Li7CuN4.
The XRD pattern shows main peaks at: 6.5°(0.91), 13.1°(1.0), 19.6°(0.08), 23.6°(0.52), 24.1°(0.19), 25.9°(0.34), 28.6°(0.75), 29.1°(0.44), 33.0°(0.41), 33.4°(0.38), 34.3°(0.89), 38.4°(0.26), 39.3°(0.25), 43.8°(0.1), 47.8°(0.43), 48.9°(0.21), 57.7°(0.19), 64.0°(0.05), 64.9°(0.05), 70... | JVASP-170404 | 3.73 3.81 13.82
82 82 90
Sr 0.875 0.625 0.250
Sr 0.125 0.375 0.749
Li 0.020 0.270 0.960
Li 0.772 0.522 0.456
Li 0.977 0.727 0.046
Li 0.229 0.479 0.543
Li 0.303 0.053 0.394
Li 0.449 0.199 0.102
Li 0.698 0.948 0.604
Cu 0.553 0.803 0.894
N 0.306 0.556 0.388
N 0.056 0.806 0.888
N 0.694 0.444 0.613
N 0.943 0.193 0.114 |
Below is a description of a material. | The chemical formula is: LaBi2ClO4.
The XRD pattern shows main peaks at: 19.5°(0.12), 22.3°(0.17), 24.4°(0.2), 29.8°(1.0), 31.8°(0.38), 37.6°(0.05), 39.6°(0.06), 43.9°(0.2), 45.6°(0.22), 51.6°(0.15), 52.4°(0.06), 55.4°(0.45), 61.9°(0.07), 66.5°(0.07), 74.5°(0.19), 75.6°(0.07), 83.1°(0.07), 88.9°(0.06).
Generate atomic ... | JVASP-109329 | 3.98 3.98 9.11
90 90 90
La 0.000 0.000 0.000
Bi 0.500 0.500 0.286
Bi 0.500 0.500 0.714
Cl 0.000 0.000 0.500
O 0.000 0.500 0.166
O 0.000 0.500 0.834
O 0.500 0.000 0.166
O 0.500 0.000 0.834 |
Below is a description of a material. | The chemical formula is: RbCuO.
The XRD pattern shows main peaks at: 17.9°(0.13), 26.1°(0.2), 26.6°(0.34), 30.9°(0.49), 32.3°(1.0), 40.4°(0.28), 41.2°(0.2), 42.3°(0.06), 49.1°(0.11), 51.7°(0.27), 54.5°(0.12), 55.8°(0.21), 59.1°(0.13), 64.3°(0.12), 65.1°(0.05), 67.6°(0.06), 68.4°(0.09), 72.7°(0.06), 78.7°(0.11), 84.1°(0... | JVASP-152663 | 7.30 7.30 7.30
99 99 133
Rb 0.250 0.054 0.804
Rb 0.250 0.446 0.196
Rb 0.554 0.750 0.804
Rb 0.946 0.750 0.196
Cu 0.612 0.388 0.500
Cu 0.888 0.112 0.500
Cu 0.888 0.388 0.776
Cu 0.612 0.112 0.224
O 0.750 0.975 0.225
O 0.750 0.525 0.775
O 0.475 0.250 0.225
O 0.025 0.250 0.775 |
Below is a description of a material. | The chemical formula is: Ho8H.
The XRD pattern shows main peaks at: 29.7°(0.22), 30.5°(0.32), 31.8°(0.38), 33.5°(1.0), 35.7°(0.28), 52.2°(0.36), 62.5°(0.05), 63.5°(0.17), 86.7°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-130761 | 3.50 3.50 22.56
90 90 120
Ho 0.000 0.000 0.188
Ho 0.667 0.333 0.062
Ho 0.667 0.333 0.313
Ho 0.667 0.333 0.562
Ho 0.333 0.667 0.438
Ho 0.333 0.667 0.687
Ho 0.333 0.667 0.938
Ho 0.000 0.000 0.812
H 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: BaNbTe.
The XRD pattern shows main peaks at: 19.5°(0.34), 22.5°(0.08), 32.1°(1.0), 37.8°(0.2), 46.0°(0.19), 50.4°(0.08), 57.2°(0.37), 61.0°(0.06), 67.1°(0.11), 70.6°(0.06), 76.3°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-66141 | 5.58 5.58 5.58
60 60 60
Ba 0.750 0.750 0.750
Nb 0.000 0.000 0.000
Te 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: RbNbCl6.
The XRD pattern shows main peaks at: 15.1°(0.15), 16.3°(0.1), 17.3°(0.29), 18.6°(0.73), 19.2°(0.42), 23.5°(0.25), 26.8°(0.33), 30.7°(0.11), 31.4°(0.23), 33.2°(1.0), 38.6°(0.1), 43.3°(0.48), 43.6°(0.26), 51.6°(0.35), 57.0°(0.11), 65.6°(0.08).
Generate atomic structure description with l... | JVASP-170339 | 6.16 6.70 12.02
100 90 117
Rb 0.903 0.000 0.750
Rb 0.097 -0.000 0.250
Nb 0.500 0.500 -0.000
Nb 0.000 0.500 0.500
Cl 0.480 0.153 0.894
Cl 0.520 0.847 0.106
Cl 0.327 0.847 0.606
Cl 0.673 0.153 0.394
Cl 0.372 0.572 0.830
Cl 0.628 0.428 0.170
Cl 0.800 0.428 0.670
Cl 0.200 0.572 0.330
Cl 0.789 0.708 0.465
Cl 0.211 0.292 0.5... |
Below is a description of a material. | The chemical formula is: Lu3Cd.
The XRD pattern shows main peaks at: 33.0°(1.0), 38.3°(0.51), 55.3°(0.35), 65.9°(0.39), 69.3°(0.12), 82.0°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-99810 | 4.70 4.70 4.70
90 90 90
Lu 0.000 0.500 0.500
Lu 0.500 0.000 0.500
Lu 0.500 0.500 0.000
Cd 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Dy8In.
The XRD pattern shows main peaks at: 29.4°(0.32), 30.0°(0.18), 32.6°(1.0), 34.4°(0.78), 51.7°(0.36), 62.4°(0.15), 63.5°(0.12), 85.2°(0.13), 86.2°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-131741 | 3.54 3.54 24.86
90 90 120
Dy 0.000 0.000 0.216
Dy 0.667 0.333 0.102
Dy 0.667 0.333 0.330
Dy 0.667 0.333 0.557
Dy 0.333 0.667 0.443
Dy 0.333 0.667 0.670
Dy 0.333 0.667 0.898
Dy 0.000 0.000 0.784
In 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Ta3V7Si6.
The XRD pattern shows main peaks at: 14.0°(0.17), 18.1°(0.29), 23.0°(0.24), 24.4°(0.13), 28.3°(0.1), 30.6°(0.29), 36.7°(0.16), 37.7°(0.45), 39.5°(0.19), 42.1°(1.0), 42.9°(0.1), 44.6°(0.29), 53.6°(0.19), 63.6°(0.1), 69.8°(0.22), 71.0°(0.14), 86.7°(0.08).
Generate atomic structure descr... | JVASP-145349 | 7.29 7.29 4.90
90 90 120
Ta 0.228 -0.000 0.000
Ta -0.000 0.228 0.000
Ta 0.772 0.772 0.000
V 0.333 0.667 0.746
V 0.667 0.333 0.746
V 0.667 0.333 0.254
V 0.333 0.667 0.254
V 0.734 0.000 0.500
V 0.000 0.734 0.500
V 0.266 0.266 0.500
Si 0.387 0.000 0.500
Si 0.000 0.387 0.500
Si 0.613 0.613 0.500
Si 0.591 0.000 0.000
Si 0.0... |
Below is a description of a material. | The chemical formula is: Sr2CuClO2.
The XRD pattern shows main peaks at: 25.8°(0.09), 28.7°(1.0), 45.1°(0.34), 54.4°(0.17), 73.3°(0.13), 83.3°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-86582 | 4.02 4.02 27.63
90 90 120
Sr 0.333 0.999 0.577
Sr 0.666 0.667 0.243
Sr 0.334 0.001 0.090
Sr 0.667 0.666 0.757
Sr 0.999 0.333 0.423
Sr 0.001 0.334 0.910
Cu 0.667 0.667 0.000
Cu 0.333 -0.000 0.333
Cu 0.000 0.333 0.667
Cl -0.000 0.334 0.167
Cl 0.666 0.666 0.500
Cl 0.334 0.000 0.833
O 0.667 0.668 0.066
O 0.999 0.332 0.601
... |
Below is a description of a material. | The chemical formula is: LiV3O4.
The XRD pattern shows main peaks at: 21.9°(0.19), 23.4°(0.66), 24.9°(0.07), 29.7°(0.09), 35.1°(0.2), 38.7°(0.23), 39.1°(0.15), 41.2°(0.16), 43.9°(1.0), 44.6°(0.62), 50.7°(0.12), 52.3°(0.21), 56.4°(0.09), 60.7°(0.14), 61.6°(0.48), 65.8°(0.09), 67.0°(0.25), 68.3°(0.07), 74.3°(0.1), 83.0°(... | JVASP-119266 | 4.15 7.49 5.34
94 118 73
Li -0.000 0.000 -0.000
Li 0.500 0.500 0.500
V 0.750 0.750 0.250
V 0.690 0.103 0.397
V 0.810 0.397 0.103
V 0.250 0.250 0.750
V 0.190 0.603 0.897
V 0.310 0.897 0.603
O 0.500 -0.000 0.000
O 0.000 0.500 0.500
O 0.750 0.250 0.750
O 0.250 0.750 0.250
O 0.635 0.635 0.855
O 0.135 0.135 0.355
O 0.365 0.... |
Below is a description of a material. | The chemical formula is: BaC2.
The XRD pattern shows main peaks at: 23.8°(1.0), 24.6°(0.37), 28.9°(0.61), 38.3°(0.47), 41.3°(0.2), 42.8°(0.29), 48.2°(0.29), 48.7°(0.22), 59.9°(0.07), 61.0°(0.21).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-7845 | 4.37 4.37 4.76
117 117 90
Ba 0.000 0.000 0.000
C 0.587 0.587 0.174
C 0.413 0.413 0.826 |
Below is a description of a material. | The chemical formula is: Ba4CaRu.
The XRD pattern shows main peaks at: 15.4°(0.31), 25.2°(0.13), 29.6°(1.0), 31.0°(0.65), 35.9°(0.16), 39.3°(0.1), 44.4°(0.05), 47.2°(0.35), 51.7°(0.35), 54.3°(0.08), 60.8°(0.12), 61.5°(0.26), 72.6°(0.22), 76.2°(0.06), 83.8°(0.07), 84.5°(0.06).
Generate atomic structure description with ... | JVASP-64238 | 7.07 7.07 7.07
60 60 60
Ba 0.119 0.627 0.627
Ba 0.627 0.627 0.627
Ba 0.627 0.119 0.627
Ba 0.627 0.627 0.119
Ca 0.250 0.250 0.250
Ru 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: LiB11.
The XRD pattern shows main peaks at: 22.0°(0.59), 25.5°(0.5), 43.0°(0.24), 45.0°(0.88), 52.4°(0.09), 57.5°(1.0), 59.2°(0.12), 65.5°(0.09), 70.0°(0.34), 77.3°(0.44), 83.0°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-152288 | 4.94 4.94 4.94
60 60 60
Li 0.250 0.250 0.250
B 0.300 0.700 0.700
B 0.700 0.300 0.300
B 0.300 0.700 0.300
B 0.700 0.300 0.700
B 0.700 0.700 0.300
B 0.300 0.300 0.700
B 0.855 0.855 0.855
B 0.855 0.855 0.435
B 0.855 0.435 0.855
B 0.435 0.855 0.855
B 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Mg6CdCo.
The XRD pattern shows main peaks at: 16.7°(0.52), 24.9°(0.41), 29.0°(0.09), 33.7°(0.17), 34.1°(0.18), 34.8°(0.2), 37.1°(0.33), 38.6°(1.0), 38.9°(0.3), 40.9°(0.11), 45.5°(0.05), 51.2°(0.11), 55.1°(0.06), 60.0°(0.08), 60.8°(0.12), 67.9°(0.16), 72.7°(0.08), 73.4°(0.13), 73.9°(0.09), 74.8°... | JVASP-94123 | 6.10 6.10 4.85
90 90 119
Mg 0.165 0.835 0.250
Mg 0.665 0.335 0.250
Mg 0.664 0.836 0.250
Mg 0.328 0.638 0.750
Mg 0.862 0.172 0.750
Mg 0.837 0.663 0.750
Cd 0.335 0.165 0.750
Co 0.145 0.355 0.250 |
Below is a description of a material. | The chemical formula is: MgTeH.
The XRD pattern shows main peaks at: 12.1°(1.0), 24.3°(0.26), 26.0°(0.62), 28.8°(0.53), 35.9°(0.36), 37.2°(0.26), 39.2°(0.22), 44.9°(0.2), 45.7°(0.28), 53.4°(0.17), 55.1°(0.08), 57.1°(0.07), 59.7°(0.09), 60.5°(0.12), 62.0°(0.12), 66.2°(0.13), 66.8°(0.09), 69.9°(0.07), 73.0°(0.13), 76.0°(... | JVASP-139076 | 3.42 3.42 7.32
90 90 90
Mg 0.000 0.000 0.592
Te 0.000 0.000 -0.043
H 0.000 0.000 0.358 |
Below is a description of a material. | The chemical formula is: KInO3.
The XRD pattern shows main peaks at: 20.8°(0.52), 29.6°(1.0), 42.3°(0.37), 47.6°(0.23), 52.5°(0.39), 61.4°(0.23), 65.6°(0.11), 69.6°(0.16), 77.4°(0.07), 85.0°(0.19).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-38181 | 4.27 4.27 4.27
90 90 90
K 0.000 0.000 0.000
In 0.500 0.500 0.500
O 0.500 0.000 0.500
O 0.500 0.500 0.000
O 0.000 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Ca2ScTaO6.
The XRD pattern shows main peaks at: 19.2°(0.44), 19.7°(0.43), 22.5°(0.7), 31.5°(0.28), 32.1°(1.0), 32.5°(0.25), 37.4°(0.18), 38.0°(0.24), 45.9°(0.39), 50.1°(0.06), 51.0°(0.09), 51.8°(0.2), 56.4°(0.2), 56.8°(0.13), 57.7°(0.26), 67.0°(0.08), 76.2°(0.09).
Generate atomic structure desc... | JVASP-146673 | 5.68 5.51 9.61
55 90 90
Ca 0.448 0.236 0.751
Ca 0.552 0.764 0.249
Ca 0.948 0.764 0.749
Ca 0.052 0.236 0.251
Sc 0.000 0.000 0.000
Sc 0.500 0.000 0.500
Ta 0.000 0.500 0.500
Ta 0.500 0.500 0.000
O 0.790 0.253 0.055
O 0.210 0.747 0.945
O 0.804 0.843 0.450
O 0.196 0.157 0.550
O 0.304 0.157 0.050
O 0.965 0.644 0.257
O 0.465 ... |
Below is a description of a material. | The chemical formula is: NaN3.
The XRD pattern shows main peaks at: 29.4°(0.09), 31.1°(1.0), 37.2°(0.17), 41.2°(0.13), 51.0°(0.29), 60.9°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-172945 | 3.58 3.58 5.55
71 71 60
Na 0.003 0.003 0.992
N 0.426 0.426 0.722
N 0.503 0.503 0.492
N 0.579 0.579 0.262 |
Below is a description of a material. | The chemical formula is: MgTiRh2.
The XRD pattern shows main peaks at: 28.9°(0.28), 41.4°(1.0), 51.3°(0.09), 60.0°(0.16), 68.0°(0.1), 75.5°(0.32).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-193693 | 4.36 4.36 4.36
60 60 60
Mg 0.000 -0.000 -0.000
Rh 0.250 0.250 0.250
Rh 0.750 0.750 0.750
Ti 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Fe2Si.
The XRD pattern shows main peaks at: 10.7°(0.07), 31.9°(0.06), 45.7°(0.51), 46.1°(1.0), 66.7°(0.14), 84.9°(0.3).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-99450 | 2.81 2.81 8.28
90 90 90
Fe 0.000 0.000 0.827
Fe 0.000 0.000 0.173
Fe 0.000 0.000 0.500
Fe 0.500 0.500 0.000
Si 0.500 0.500 0.332
Si 0.500 0.500 0.668 |
Below is a description of a material. | The chemical formula is: NaPrS2.
The XRD pattern shows main peaks at: 15.7°(0.58), 21.5°(0.6), 26.8°(0.45), 30.6°(1.0), 31.8°(0.44), 34.6°(0.36), 38.7°(0.27), 43.8°(0.35), 44.7°(0.67), 46.8°(0.15), 49.3°(0.13), 52.1°(0.18), 55.1°(0.33), 59.9°(0.14), 63.7°(0.11), 72.3°(0.15), 72.9°(0.13), 74.9°(0.13), 81.1°(0.21), 83.0°... | JVASP-104942 | 4.13 4.13 5.63
90 90 90
Na 0.000 0.000 0.000
Pr 0.500 0.500 0.500
S 0.000 0.000 0.500
S 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: Re2AuSe.
The XRD pattern shows main peaks at: 24.0°(0.06), 39.6°(1.0), 57.3°(0.17), 71.9°(0.36), 85.3°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-51314 | 4.55 4.55 4.55
60 60 60
Re 0.000 0.000 0.000
Re 0.750 0.750 0.750
Au 0.500 0.500 0.500
Se 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: FeHO2.
The XRD pattern shows main peaks at: 14.9°(1.0), 27.8°(0.64), 38.3°(0.08), 39.1°(0.53), 40.4°(0.17), 47.7°(0.2), 50.1°(0.26), 55.9°(0.16), 62.4°(0.07), 63.3°(0.19), 65.9°(0.07), 68.9°(0.1), 71.6°(0.15), 82.1°(0.05), 85.4°(0.1).
Generate atomic structure description with lattice lengths, ... | JVASP-142846 | 4.75 6.12 4.75
82 106 82
Fe 0.784 0.361 0.536
Fe 0.214 0.639 0.467
Fe 0.283 0.361 0.036
Fe 0.714 0.639 0.966
H 0.716 0.036 0.266
H 0.216 0.036 0.766
H 0.484 0.964 0.534
H 0.984 0.964 0.034
O 0.476 0.585 0.232
O 0.976 0.585 0.732
O 0.518 0.415 0.774
O 0.018 0.415 0.274
O 0.585 0.145 0.342
O 0.085 0.145 0.842
O 0.408 0.8... |
Below is a description of a material. | The chemical formula is: UNiC2.
The XRD pattern shows main peaks at: 24.2°(0.07), 28.2°(1.0), 35.4°(0.51), 36.2°(0.24), 36.7°(0.3), 38.3°(0.35), 44.1°(0.39), 52.2°(0.26), 56.6°(0.22), 60.4°(0.26), 64.6°(0.17), 65.5°(0.23), 75.2°(0.11), 76.9°(0.08), 80.6°(0.17), 83.8°(0.05), 88.4°(0.11), 89.4°(0.07).
Generate atomic str... | JVASP-90735 | 3.51 3.51 7.34
90 90 90
U 0.750 0.750 0.679
U 0.250 0.250 0.321
Ni 0.750 0.250 0.000
Ni 0.250 0.750 0.000
C 0.750 0.750 0.165
C 0.250 0.250 0.835
C 0.750 0.750 0.361
C 0.250 0.250 0.639 |
Below is a description of a material. | The chemical formula is: In2AsP.
The XRD pattern shows main peaks at: 25.4°(1.0), 29.5°(0.11), 42.1°(0.66), 49.9°(0.45), 61.1°(0.11), 67.3°(0.14), 77.0°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-111043 | 7.43 7.43 7.43
33 33 33
In 0.002 0.002 0.002
In 0.498 0.498 0.498
As 0.875 0.875 0.875
P 0.375 0.375 0.375 |
Below is a description of a material. | The chemical formula is: BW.
The XRD pattern shows main peaks at: 20.9°(0.09), 28.8°(0.18), 32.5°(1.0), 39.0°(0.91), 41.9°(0.94), 42.5°(0.3), 47.2°(0.33), 52.2°(0.17), 58.6°(0.3), 68.7°(0.25), 69.5°(0.08), 72.7°(0.31), 75.1°(0.21), 78.5°(0.15), 87.7°(0.11).
Generate atomic structure description with lattice lengths, an... | JVASP-191808 | 8.80 8.80 8.80
159 159 29
B 0.906 0.406 0.500
B 0.156 0.156 0.000
B 0.844 0.844 -0.000
B 0.594 0.094 0.500
W 0.053 0.553 0.500
W 0.303 0.303 -0.000
W 0.697 0.697 0.000
W 0.447 0.947 0.500 |
Below is a description of a material. | The chemical formula is: Pm2BeSi.
The XRD pattern shows main peaks at: 25.1°(0.78), 35.8°(1.0), 44.2°(0.23), 51.5°(0.18), 58.1°(0.31), 64.3°(0.37), 75.8°(0.11), 81.3°(0.14), 86.8°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-157459 | 5.02 5.02 5.02
60 60 60
Pm 0.000 0.000 0.000
Pm 0.500 0.500 0.500
Be 0.250 0.250 0.250
Si 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: UTeAs.
The XRD pattern shows main peaks at: 20.1°(0.25), 23.7°(0.56), 29.5°(0.35), 30.4°(0.65), 32.1°(0.37), 36.7°(1.0), 37.4°(0.94), 43.6°(0.61), 48.4°(0.12), 50.2°(0.17), 53.5°(0.13), 54.0°(0.08), 56.5°(0.33), 58.7°(0.49), 61.2°(0.08), 63.3°(0.18), 71.9°(0.12), 74.0°(0.28), 75.5°(0.26), 75.9°... | JVASP-15878 | 4.15 4.15 8.86
90 90 90
U 0.500 0.000 0.246
U 0.000 0.500 0.754
Te 0.500 0.000 0.629
Te 0.000 0.500 0.371
As 0.000 0.000 0.000
As 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: NaBS.
The XRD pattern shows main peaks at: 21.9°(1.0), 22.6°(0.27), 31.7°(0.23), 39.7°(0.52), 44.6°(0.11), 45.8°(0.67), 61.3°(0.24), 72.1°(0.08), 76.4°(0.13), 83.1°(0.1), 88.9°(0.09), 89.7°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-133772 | 4.54 4.54 4.06
90 90 119
Na 0.333 0.667 0.000
B 0.000 0.000 0.000
S 0.667 0.333 0.000 |
Below is a description of a material. | The chemical formula is: MgZrHg2.
The XRD pattern shows main peaks at: 25.6°(0.37), 36.5°(1.0), 45.1°(0.08), 52.6°(0.16), 59.4°(0.07), 65.8°(0.25), 77.6°(0.06), 89.0°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-76848 | 12.05 8.52 8.52
33 19 19
Mg 0.000 0.000 0.000
Zr 0.500 0.000 -0.000
Hg 0.750 -0.000 -0.000
Hg 0.250 0.000 0.000 |
Below is a description of a material. | The chemical formula is: NaFeS2.
The XRD pattern shows main peaks at: 15.4°(1.0), 16.8°(0.24), 21.1°(0.06), 25.9°(0.05), 27.1°(0.38), 28.5°(0.19), 43.0°(0.22), 44.7°(0.22), 47.3°(0.13), 48.6°(0.12), 53.5°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-14034 | 5.31 6.89 6.84
120 112 90
Na 0.316 0.316 0.633
Na 0.684 0.684 0.367
Fe 0.000 0.000 0.000
Fe 0.500 0.000 0.000
S 0.863 0.288 0.224
S 0.360 0.936 0.224
S 0.640 0.712 0.776
S 0.137 0.064 0.776 |
Below is a description of a material. | The chemical formula is: Li4MoO5.
The XRD pattern shows main peaks at: 12.7°(0.06), 18.6°(1.0), 19.3°(0.35), 22.7°(0.21), 25.5°(0.33), 26.7°(0.25), 27.7°(0.12), 30.6°(0.12), 35.6°(0.1), 36.2°(0.21), 38.7°(0.07), 43.0°(0.24), 43.8°(0.29), 44.5°(0.24), 62.7°(0.07), 63.4°(0.11), 63.9°(0.11).
Generate atomic structure desc... | JVASP-165007 | 5.06 5.11 7.69
108 102 101
Li 0.425 0.811 0.299
Li 0.575 0.189 0.701
Li -0.000 0.000 0.500
Li 0.500 0.000 -0.000
Li 0.219 0.400 0.903
Li 0.781 0.600 0.097
Li 0.310 0.614 0.611
Li 0.690 0.386 0.389
Mo 0.896 0.771 0.782
Mo 0.104 0.229 0.218
O 0.574 0.607 0.845
O 0.426 0.393 0.155
O 0.050 0.575 0.339
O 0.950 0.425 0.661
O... |
Below is a description of a material. | The chemical formula is: Tb3Pm.
The XRD pattern shows main peaks at: 28.7°(0.22), 31.4°(0.26), 32.8°(1.0), 43.0°(0.15), 50.8°(0.19), 56.8°(0.22), 60.9°(0.23), 61.7°(0.16), 79.6°(0.08), 87.4°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-110044 | 7.19 7.19 5.69
90 90 120
Tb 0.834 0.166 0.750
Tb 0.332 0.166 0.750
Tb 0.834 0.668 0.750
Tb 0.166 0.834 0.250
Tb 0.668 0.834 0.250
Tb 0.166 0.332 0.250
Pm 0.667 0.333 0.250
Pm 0.333 0.667 0.750 |
Below is a description of a material. | The chemical formula is: K2RuCl5O.
The XRD pattern shows main peaks at: 13.8°(1.0), 18.1°(0.19), 20.0°(0.13), 20.5°(0.11), 25.8°(0.11), 27.5°(0.33), 28.9°(0.19), 29.3°(0.25), 31.0°(0.09), 33.2°(0.46), 36.7°(0.73), 41.8°(0.17), 52.9°(0.23), 56.8°(0.06), 78.1°(0.06).
Generate atomic structure description with lattice len... | JVASP-145127 | 9.93 9.93 9.93
139 139 59
K 0.000 0.500 0.500
K 0.500 0.000 0.500
K 0.750 0.250 0.500
K 0.250 0.750 0.500
Ru 0.895 0.895 -0.000
Ru 0.105 0.105 0.000
Cl 0.356 0.872 0.000
Cl 0.872 0.356 0.000
Cl 0.356 0.356 0.485
Cl 0.872 0.872 0.515
Cl 0.644 0.128 -0.000
Cl 0.128 0.128 0.485
Cl 0.644 0.644 0.515
Cl 0.241 0.241 0.000
Cl... |
Below is a description of a material. | The chemical formula is: CaScAlSiO6.
The XRD pattern shows main peaks at: 18.5°(0.1), 27.2°(0.11), 29.3°(1.0), 29.6°(0.31), 30.2°(0.18), 34.0°(0.4), 34.4°(0.28), 34.7°(0.46), 39.1°(0.1), 41.7°(0.18), 42.0°(0.14), 43.7°(0.24), 51.7°(0.12), 54.5°(0.2), 55.5°(0.12), 58.9°(0.13), 59.4°(0.13), 63.9°(0.18), 65.0°(0.09), 74.3... | JVASP-145424 | 6.71 6.71 5.48
78 78 84
Ca 0.310 0.690 0.500
Ca 0.686 0.314 0.000
Sc 0.904 0.096 0.500
Sc 0.096 0.904 0.000
Al 0.805 0.618 0.481
Al 0.382 0.195 0.519
Si 0.201 0.384 0.016
Si 0.616 0.799 0.984
O 0.373 0.336 0.767
O 0.664 0.627 0.233
O 0.386 0.892 0.077
O 0.108 0.614 0.923
O 0.630 0.112 0.406
O 0.200 0.012 0.618
O 0.790 ... |
Below is a description of a material. | The chemical formula is: PrGaCo2.
The XRD pattern shows main peaks at: 24.0°(0.12), 30.9°(0.31), 32.2°(0.51), 33.7°(0.29), 35.6°(0.14), 36.2°(0.12), 39.2°(0.21), 39.5°(1.0), 41.9°(0.32), 43.0°(0.2), 44.0°(0.08), 49.2°(0.24), 58.6°(0.09), 59.3°(0.16), 61.0°(0.11), 61.9°(0.13), 64.3°(0.28), 67.4°(0.09), 85.1°(0.08), 85.6... | JVASP-18666 | 3.70 5.31 6.90
90 90 90
Pr 0.000 0.750 0.327
Pr 0.000 0.250 0.673
Ga 0.000 0.750 0.880
Ga 0.000 0.250 0.120
Co 0.500 0.000 0.000
Co 0.500 0.500 0.000
Co 0.500 0.750 0.662
Co 0.500 0.250 0.338 |
Below is a description of a material. | The chemical formula is: Lu2MgIn.
The XRD pattern shows main peaks at: 21.0°(0.09), 24.3°(0.22), 34.6°(1.0), 42.8°(0.06), 49.8°(0.19), 56.1°(0.09), 62.1°(0.36), 73.1°(0.11), 83.4°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-41426 | 5.18 5.18 5.18
60 60 60
Lu 0.000 0.000 0.000
Lu 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: SmEr3S6.
The XRD pattern shows main peaks at: 16.4°(0.24), 23.8°(0.76), 24.4°(1.0), 24.7°(0.29), 26.6°(0.63), 27.9°(0.54), 30.2°(0.21), 31.3°(0.75), 32.5°(0.19), 34.1°(0.26), 34.6°(0.49), 37.2°(0.24), 40.0°(0.25), 41.8°(0.19), 42.7°(0.63), 44.3°(0.41), 46.2°(0.52), 46.7°(0.33), 47.3°(0.28), 52.... | JVASP-49146 | 10.96 3.93 11.24
90 108 90
Sm 0.452 0.250 0.806
Sm 0.548 0.750 0.194
Er 0.339 0.250 0.414
Er 0.661 0.750 0.586
Er 0.819 0.250 0.998
Er 0.181 0.750 0.002
Er 0.062 0.250 0.668
Er 0.938 0.750 0.332
S 0.105 0.250 0.440
S 0.895 0.750 0.560
S 0.979 0.750 0.113
S 0.021 0.250 0.887
S 0.616 0.750 0.964
S 0.304 0.750 0.251
S 0.4... |
Below is a description of a material. | The chemical formula is: OsN.
The XRD pattern shows main peaks at: 33.7°(1.0), 39.1°(0.44), 56.4°(0.38), 67.3°(0.39), 70.8°(0.11), 83.9°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-36344 | 3.26 3.26 3.26
60 60 60
Os 0.000 0.000 0.000
N 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: Sr2MgAs2.
The XRD pattern shows main peaks at: 12.8°(1.0), 16.4°(0.35), 24.5°(0.22), 25.0°(0.16), 25.7°(0.08), 30.5°(0.52), 33.2°(0.39), 33.7°(0.23), 34.8°(0.11), 35.9°(0.1), 39.5°(0.13), 40.3°(0.11), 43.6°(0.19), 44.9°(0.31), 45.7°(0.15), 47.7°(0.09), 56.3°(0.09), 57.7°(0.11), 64.4°(0.22), 72.... | JVASP-186776 | 8.07 8.07 8.07
137 137 61
Sr 0.750 0.250 0.500
Sr 0.250 0.750 0.500
Mg -0.000 -0.000 0.000
As 0.823 0.823 0.000
As 0.177 0.177 -0.000 |
Below is a description of a material. | The chemical formula is: TaBe.
The XRD pattern shows main peaks at: 29.9°(1.0), 42.8°(0.82), 53.0°(0.27), 62.1°(0.14), 70.4°(0.37), 78.3°(0.31).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-128226 | 2.99 2.99 2.99
90 90 90
Ta 0.000 0.000 0.000
Be 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Li3Cu4SbO8.
The XRD pattern shows main peaks at: 17.8°(0.48), 18.4°(1.0), 18.9°(0.2), 30.5°(0.06), 31.8°(0.21), 32.4°(0.12), 35.4°(0.34), 36.1°(0.48), 37.3°(0.24), 38.3°(0.59), 44.0°(0.88), 45.7°(0.13), 51.9°(0.06), 58.6°(0.41), 60.8°(0.24), 63.4°(0.13), 64.5°(0.12), 67.8°(0.11), 75.6°(0.07), 7... | JVASP-140227 | 6.15 6.15 5.78
64 64 57
Li 0.000 0.500 0.000
Li 0.500 0.000 0.000
Li -0.000 -0.000 0.500
Cu 0.000 0.000 0.000
Cu 0.500 0.000 0.500
Cu 0.000 0.500 0.500
Cu 0.500 0.500 0.500
Sb 0.500 0.500 0.000
O 0.716 0.716 0.765
O 0.295 0.757 0.232
O 0.757 0.295 0.232
O 0.284 0.284 0.235
O 0.207 0.207 0.760
O 0.705 0.243 0.768
O 0.24... |
Below is a description of a material. | The chemical formula is: Ba2H6Pt.
The XRD pattern shows main peaks at: 12.2°(0.18), 27.9°(1.0), 29.7°(0.5), 32.2°(0.07), 37.5°(0.18), 42.5°(0.19), 48.3°(0.15), 51.7°(0.34), 58.0°(0.1), 59.5°(0.09), 61.7°(0.07), 67.9°(0.07), 69.1°(0.08), 70.0°(0.09), 82.0°(0.07), 84.6°(0.1).
Generate atomic structure description with la... | JVASP-85661 | 7.86 7.86 6.01
90 90 135
Ba 0.142 0.858 0.500
Ba 0.642 0.358 0.000
Ba 0.858 0.142 0.500
Ba 0.358 0.642 0.000
H 0.802 0.802 0.802
H 0.198 0.198 0.198
H 0.698 0.698 0.302
H 0.302 0.302 0.698
H 0.115 0.885 0.000
H 0.615 0.385 0.500
H 0.385 0.615 0.500
H 0.500 -0.000 0.750
H 0.000 0.500 0.250
H 0.500 0.000 0.250
H -0.000 0... |
Below is a description of a material. | The chemical formula is: HfZrC2.
The XRD pattern shows main peaks at: 16.4°(0.16), 31.7°(0.1), 33.2°(1.0), 38.5°(0.73), 55.5°(0.48), 66.2°(0.46), 69.6°(0.17), 82.4°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-191297 | 3.31 3.31 5.73
73 73 60
C 0.249 0.249 0.254
C 0.751 0.751 0.746
Hf 0.500 0.500 0.500
Zr 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Cu3OF5.
The XRD pattern shows main peaks at: 27.5°(1.0), 34.5°(0.57), 39.9°(0.18), 53.4°(0.34), 56.8°(0.18), 65.9°(0.07), 67.9°(0.08), 68.5°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-49961 | 4.56 4.61 10.49
90 115 90
Cu 0.978 0.256 0.993
Cu 0.356 0.798 0.833
Cu 0.659 0.257 0.674
Cu 0.978 0.744 0.493
Cu 0.356 0.202 0.333
Cu 0.659 0.743 0.174
O 0.643 0.086 0.833
O 0.643 0.914 0.333
F 0.965 0.025 0.168
F 0.054 0.497 0.333
F 0.699 0.435 0.508
F 0.295 0.025 0.498
F 0.295 0.975 0.998
F 0.350 0.565 0.659
F 0.054 ... |
Below is a description of a material. | The chemical formula is: P2Br.
The XRD pattern shows main peaks at: 16.1°(1.0), 23.6°(0.25), 29.0°(0.46), 33.3°(0.33), 34.7°(0.27), 36.9°(0.34), 37.7°(0.15), 38.5°(0.22), 45.8°(0.22), 47.6°(0.33), 48.9°(0.22), 52.8°(0.14), 61.4°(0.18), 63.7°(0.07), 71.4°(0.12), 72.7°(0.09), 73.6°(0.06), 75.6°(0.08), 82.9°(0.12), 84.1°(... | JVASP-117846 | 5.52 5.17 3.08
90 90 90
P 0.189 0.924 0.000
P 0.811 0.924 0.000
Br 0.000 0.424 0.000 |
Below is a description of a material. | The chemical formula is: La3Au.
The XRD pattern shows main peaks at: 8.5°(0.22), 26.6°(0.14), 28.0°(0.34), 31.8°(1.0), 34.7°(0.13), 37.4°(0.16), 44.2°(0.2), 47.0°(0.27), 57.8°(0.17), 59.7°(0.17), 66.5°(0.06), 77.6°(0.16), 85.3°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and a... | JVASP-131980 | 3.87 3.87 10.35
90 90 120
La 0.000 0.000 0.500
La 0.667 0.333 0.791
La 0.333 0.667 0.209
Au 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: BeInRu2.
The XRD pattern shows main peaks at: 13.8°(0.12), 27.9°(0.08), 29.8°(0.15), 33.0°(0.36), 41.3°(1.0), 42.7°(0.5), 51.8°(0.05), 57.7°(0.06), 61.9°(0.18), 72.0°(0.07), 74.3°(0.11), 77.2°(0.3), 78.0°(0.07), 81.9°(0.1), 89.7°(0.08).
Generate atomic structure description with lattice lengths... | JVASP-74108 | 3.00 3.00 6.39
90 90 90
Be 0.000 0.000 0.434
In 0.500 0.500 0.741
Ru 0.000 0.000 0.030
Ru 0.500 0.500 0.296 |
Below is a description of a material. | The chemical formula is: SmBi.
The XRD pattern shows main peaks at: 30.3°(0.71), 33.7°(1.0), 43.4°(0.27), 53.2°(0.07), 56.1°(0.47), 62.4°(0.18), 63.0°(0.09), 70.9°(0.11), 71.5°(0.12), 73.4°(0.11), 87.0°(0.07), 88.2°(0.07), 89.3°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and ... | JVASP-78432 | 3.45 4.17 4.17
90 90 90
Sm 0.000 0.000 0.000
Bi 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: CrF5.
The XRD pattern shows main peaks at: 17.2°(1.0), 22.0°(0.48), 26.5°(0.36), 32.0°(0.11), 32.9°(0.16), 42.0°(0.54), 44.9°(0.19), 51.0°(0.16), 53.4°(0.11), 54.7°(0.05), 58.8°(0.06), 62.3°(0.07), 64.8°(0.08), 72.2°(0.12).
Generate atomic structure description with lattice lengths, angles, coo... | JVASP-93511 | 2.98 5.46 5.46
75 74 74
Cr 0.000 0.000 0.000
F 0.500 0.822 0.178
F 0.500 0.178 0.822
F 0.785 0.215 0.215
F 0.215 0.785 0.785
F -0.000 0.500 0.500 |
Below is a description of a material. | The chemical formula is: LiPm3.
The XRD pattern shows main peaks at: 17.9°(0.29), 25.5°(0.24), 31.3°(1.0), 36.3°(0.5), 40.8°(0.15), 44.9°(0.11), 52.3°(0.36), 55.7°(0.07), 62.2°(0.4), 65.3°(0.11), 71.3°(0.05), 77.1°(0.06), 85.6°(0.17), 88.4°(0.15).
Generate atomic structure description with lattice lengths, angles, coor... | JVASP-106960 | 4.95 4.95 4.95
90 90 90
Li 0.000 0.000 0.000
Pm 0.500 0.500 0.000
Pm 0.500 0.000 0.500
Pm 0.000 0.500 0.500 |
Below is a description of a material. | The chemical formula is: HN.
The XRD pattern shows main peaks at: 40.7°(1.0), 52.6°(0.17), 68.5°(0.28), 74.0°(0.12), 88.0°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-134971 | 2.56 2.56 1.74
90 90 120
H 0.000 0.000 0.000
N 0.333 0.667 0.000 |
Below is a description of a material. | The chemical formula is: Ho4Cu5P7.
The XRD pattern shows main peaks at: 9.2°(0.08), 18.4°(0.08), 25.6°(0.71), 30.3°(0.11), 34.0°(0.07), 36.9°(0.37), 37.3°(0.22), 39.0°(1.0), 48.9°(0.32), 53.5°(0.12), 63.1°(0.13), 68.4°(0.05), 71.6°(0.09), 84.7°(0.21).
Generate atomic structure description with lattice lengths, angles, ... | JVASP-170598 | 5.27 5.27 10.34
75 75 90
Ho 0.107 0.357 0.767
Ho 0.625 0.875 0.767
Ho 0.393 0.125 0.233
Ho 0.875 0.643 0.233
Cu 0.501 0.751 0.498
Cu 0.999 0.249 0.502
Cu 0.000 0.750 0.500
Cu 0.500 0.250 0.500
Cu 0.250 0.500 0.000
P 0.325 0.575 0.340
P 0.835 0.085 0.340
P 0.175 0.915 0.660
P 0.665 0.425 0.660
P 0.750 0.000 0.000
P 0.75... |
Below is a description of a material. | The chemical formula is: SiMo.
The XRD pattern shows main peaks at: 29.2°(0.4), 41.8°(1.0), 51.8°(0.11), 60.6°(0.16), 68.7°(0.13), 76.3°(0.33).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-127511 | 3.06 3.06 3.06
90 90 90
Si 0.000 0.000 0.000
Mo 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: ScSb.
The XRD pattern shows main peaks at: 24.6°(0.28), 35.1°(1.0), 43.3°(0.09), 50.4°(0.18), 56.9°(0.12), 62.9°(0.37), 74.1°(0.11), 79.4°(0.05), 84.7°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-16887 | 3.62 3.62 3.62
90 90 90
Sc 0.000 0.000 0.000
Sb 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: LiPr2Al.
The XRD pattern shows main peaks at: 23.6°(0.78), 33.6°(1.0), 41.5°(0.23), 48.3°(0.17), 54.4°(0.32), 60.1°(0.37), 70.6°(0.1), 75.7°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-100493 | 5.33 5.33 5.33
60 60 60
Li 0.000 0.000 0.000
Pr 0.250 0.250 0.250
Pr 0.750 0.750 0.750
Al 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: TbSmIr2.
The XRD pattern shows main peaks at: 36.7°(1.0), 52.8°(0.19), 66.0°(0.38), 78.0°(0.11), 89.4°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-37612 | 4.90 4.90 4.90
60 60 60
Tb 0.750 0.750 0.750
Sm 0.250 0.250 0.250
Ir 0.000 0.000 0.000
Ir 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: HoTmRh2.
The XRD pattern shows main peaks at: 26.4°(0.05), 37.6°(1.0), 54.3°(0.16), 67.9°(0.36), 80.3°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-108638 | 4.78 4.78 4.78
60 60 60
Ho 0.500 0.500 0.500
Tm 0.000 0.000 0.000
Rh 0.250 0.250 0.250
Rh 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: VO2.
The XRD pattern shows main peaks at: 27.6°(1.0), 37.2°(0.49), 39.4°(0.07), 42.2°(0.16), 44.2°(0.05), 55.2°(0.55), 56.9°(0.2), 64.4°(0.1), 65.5°(0.08), 69.9°(0.21), 72.5°(0.1), 83.3°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-53012 | 2.85 4.58 4.58
90 90 90
V 0.000 0.000 0.000
V 0.500 0.500 0.500
O 0.000 0.300 0.300
O 0.000 0.700 0.700
O 0.500 0.800 0.200
O 0.500 0.200 0.800 |
Below is a description of a material. | The chemical formula is: Ac3La.
The XRD pattern shows main peaks at: 27.9°(1.0), 32.3°(0.48), 46.4°(0.38), 55.0°(0.47), 57.7°(0.13), 67.7°(0.06), 74.7°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-102449 | 6.78 6.78 6.78
131 131 70
Ac 0.750 0.250 0.500
Ac 0.250 0.750 0.500
Ac 0.500 0.500 0.000
La 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: BaLiN.
The XRD pattern shows main peaks at: 22.0°(0.38), 27.2°(0.82), 35.2°(1.0), 44.8°(0.09), 48.1°(0.24), 53.3°(0.29), 56.1°(0.11), 61.0°(0.22), 67.8°(0.17), 74.5°(0.09), 76.4°(0.11), 81.2°(0.19).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-183589 | 3.79 3.79 4.04
90 90 120
Ba -0.000 -0.000 0.000
Li 0.333 0.667 0.500
N 0.667 0.333 0.500 |
Below is a description of a material. | The chemical formula is: PrBiPd2.
The XRD pattern shows main peaks at: 25.1°(0.06), 35.8°(1.0), 51.5°(0.17), 64.3°(0.34), 75.9°(0.11), 86.8°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-38657 | 5.02 5.02 5.02
60 60 60
Pr 0.750 0.750 0.750
Bi 0.250 0.250 0.250
Pd 0.500 0.500 0.500
Pd 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Na5GaGe2.
The XRD pattern shows main peaks at: 10.8°(0.15), 14.4°(0.07), 18.0°(0.07), 18.6°(0.12), 19.2°(0.68), 20.4°(1.0), 32.5°(0.22), 33.2°(0.24), 34.3°(0.8), 36.4°(0.32), 37.7°(0.14), 38.9°(0.14), 39.9°(0.09), 41.4°(0.14), 42.8°(0.2), 43.5°(0.2), 56.0°(0.2), 56.8°(0.07), 64.4°(0.1), 68.1°(0... | JVASP-153402 | 9.25 5.63 8.28
81 90 90
Na 0.575 0.596 0.311
Na 0.075 0.404 0.689
Na 0.425 0.404 0.689
Na 0.925 0.596 0.311
Na 0.072 0.180 0.115
Na 0.572 0.820 0.885
Na 0.928 0.820 0.885
Na 0.428 0.180 0.115
Na 0.250 0.927 0.481
Na 0.750 0.073 0.519
Ga 0.250 0.689 0.094
Ga 0.750 0.311 0.906
Ge 0.250 0.454 0.357
Ge 0.750 0.546 0.643
Ge... |
Below is a description of a material. | The chemical formula is: PuB4Os.
The XRD pattern shows main peaks at: 24.1°(0.05), 24.9°(0.69), 30.8°(0.84), 35.0°(0.05), 37.8°(0.21), 40.0°(1.0), 45.8°(0.27), 51.2°(0.16), 56.1°(0.06), 59.7°(0.07), 60.9°(0.27), 61.9°(0.15), 65.4°(0.09), 67.8°(0.22), 70.5°(0.07), 76.0°(0.12), 76.5°(0.07), 83.1°(0.05), 84.4°(0.13), 88.9... | JVASP-137232 | 6.00 6.00 3.57
90 90 104
Pu 0.300 0.700 0.000
Pu 0.700 0.300 0.000
B 0.380 0.062 0.500
B 0.620 0.938 0.500
B 0.062 0.380 0.500
B 0.938 0.620 0.500
B 0.377 0.377 0.500
B 0.623 0.623 0.500
B 0.092 0.908 0.500
B 0.908 0.092 0.500
Os 0.186 0.186 0.000
Os 0.814 0.814 0.000 |
Below is a description of a material. | The chemical formula is: MgBH.
The XRD pattern shows main peaks at: 24.8°(1.0), 28.2°(0.62), 32.4°(0.81), 41.3°(0.66), 43.5°(0.36), 47.9°(0.37), 50.8°(0.22), 53.5°(0.3), 59.0°(0.43), 61.6°(0.25), 65.9°(0.07), 67.9°(0.07), 73.5°(0.1), 75.4°(0.09), 78.6°(0.07), 80.1°(0.07), 82.7°(0.08), 87.3°(0.13), 89.1°(0.12).
Generate... | JVASP-120825 | 3.85 3.85 2.76
90 90 110
Mg -0.248 0.392 0.000
B 0.109 0.036 0.000
H 0.301 -0.156 0.000 |
Below is a description of a material. | The chemical formula is: BaMgCl.
The XRD pattern shows main peaks at: 11.7°(1.0), 23.0°(0.89), 23.6°(0.34), 24.0°(0.31), 25.9°(0.32), 29.0°(0.52), 29.5°(0.46), 33.2°(0.34), 35.7°(0.23), 37.4°(0.52), 37.8°(0.5), 42.9°(0.29), 47.1°(0.14), 47.4°(0.13), 48.8°(0.11), 53.4°(0.3), 53.9°(0.11), 56.3°(0.15), 60.4°(0.09), 66.4°(... | JVASP-135840 | 3.83 7.76 3.86
90 90 76
Ba 0.099 -0.183 0.000
Mg -0.204 0.409 0.000
Cl 0.442 0.148 0.000 |
Below is a description of a material. | The chemical formula is: BaSn2Pt2.
The XRD pattern shows main peaks at: 16.1°(0.37), 30.6°(1.0), 32.6°(0.07), 37.0°(0.65), 40.6°(0.17), 42.1°(0.35), 48.7°(0.26), 50.1°(0.08), 53.3°(0.23), 56.1°(0.06), 57.0°(0.3), 62.8°(0.23), 70.2°(0.15), 75.1°(0.07), 78.7°(0.07), 80.3°(0.11), 81.8°(0.21), 86.8°(0.09).
Generate atomic ... | JVASP-158238 | 6.48 6.48 6.48
135 135 64
Ba 0.000 0.000 0.000
Sn 0.357 0.357 -0.000
Sn 0.643 0.643 0.000
Pt 0.750 0.250 0.500
Pt 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: LiZnBi.
The XRD pattern shows main peaks at: 22.3°(0.59), 23.7°(0.49), 25.3°(1.0), 32.8°(0.38), 39.2°(0.69), 42.7°(0.66), 45.6°(0.07), 46.3°(0.49), 47.3°(0.19), 52.0°(0.1), 59.3°(0.25), 63.0°(0.17), 64.0°(0.05), 66.5°(0.19), 71.1°(0.12), 73.5°(0.25), 76.1°(0.12), 80.0°(0.11), 84.3°(0.05), 89.2°... | JVASP-149273 | 4.59 4.59 7.51
90 90 120
Li 0.000 1.000 0.099
Li 1.000 0.000 0.599
Zn 0.333 0.667 0.952
Zn 0.667 0.333 0.452
Bi 0.333 0.667 0.331
Bi 0.667 0.333 0.831 |
Below is a description of a material. | The chemical formula is: LiLuGe.
The XRD pattern shows main peaks at: 14.8°(0.27), 21.3°(0.49), 25.9°(0.38), 29.9°(0.43), 33.7°(0.78), 37.0°(1.0), 40.0°(0.21), 43.4°(0.24), 45.7°(0.31), 51.2°(0.13), 53.2°(0.1), 53.6°(0.19), 55.5°(0.27), 60.2°(0.32), 64.8°(0.06), 71.0°(0.06), 73.0°(0.24), 75.4°(0.13), 84.4°(0.11).
Gener... | JVASP-106641 | 6.89 6.89 4.17
90 90 120
Li 0.233 0.000 0.500
Li 0.000 0.233 0.500
Li 0.767 0.767 0.500
Lu 0.575 0.000 0.000
Lu 0.000 0.575 0.000
Lu 0.425 0.425 0.000
Ge 0.333 0.667 0.500
Ge 0.667 0.333 0.500
Ge 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Mg6GaBi.
The XRD pattern shows main peaks at: 15.4°(0.21), 16.2°(0.78), 17.1°(0.16), 23.0°(0.49), 23.6°(0.61), 27.3°(0.19), 28.8°(0.15), 31.0°(0.26), 32.4°(0.37), 32.8°(0.17), 34.5°(0.35), 35.6°(0.31), 37.2°(1.0), 38.4°(0.19), 41.8°(0.13), 47.1°(0.17), 55.3°(0.15), 56.3°(0.14), 63.6°(0.21), 67.... | JVASP-92942 | 6.55 6.55 5.20
90 90 123
Mg 0.163 0.828 0.250
Mg 0.672 0.337 0.250
Mg 0.670 0.830 0.250
Mg 0.337 0.652 0.750
Mg 0.848 0.163 0.750
Mg 0.831 0.669 0.750
Ga 0.133 0.367 0.250
Bi 0.345 0.155 0.750 |
Below is a description of a material. | The chemical formula is: OsPtCl2.
The XRD pattern shows main peaks at: 24.0°(0.59), 39.7°(1.0), 46.9°(0.32), 57.3°(0.17), 63.0°(0.13), 72.0°(0.35), 77.1°(0.11), 85.5°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-51179 | 4.55 4.55 4.55
60 60 60
Os 0.500 0.500 0.500
Pt 0.250 0.250 0.250
Cl 0.000 0.000 0.000
Cl 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: Fe3P.
The XRD pattern shows main peaks at: 33.9°(0.18), 38.9°(1.0), 39.8°(0.23), 40.8°(0.61), 42.0°(0.37), 43.3°(0.81), 47.2°(0.16), 48.2°(0.25), 49.1°(0.35), 51.4°(0.19), 68.4°(0.08), 69.0°(0.06), 69.8°(0.21), 70.6°(0.06), 71.6°(0.08), 73.0°(0.13), 74.4°(0.11), 79.1°(0.07), 81.9°(0.08), 82.5°(... | JVASP-153850 | 7.19 7.19 7.19
96 96 142
Fe 0.312 0.129 0.974
Fe 0.155 0.338 0.026
Fe 0.871 0.845 0.183
Fe 0.662 0.688 0.817
Fe 0.360 0.962 0.329
Fe 0.633 0.031 0.671
Fe 0.038 0.367 0.398
Fe 0.969 0.640 0.602
Fe 0.915 0.537 0.939
Fe 0.598 0.976 0.061
Fe 0.463 0.402 0.378
Fe 0.024 0.085 0.622
P 0.789 0.444 0.239
P 0.205 0.550 0.761
P 0... |
Below is a description of a material. | The chemical formula is: Ca2B5Os3.
The XRD pattern shows main peaks at: 13.4°(0.15), 17.0°(1.0), 24.1°(0.38), 24.6°(0.16), 26.9°(0.12), 30.5°(0.77), 31.6°(0.14), 33.4°(0.45), 34.0°(0.39), 35.1°(0.44), 35.7°(0.3), 38.3°(0.14), 40.8°(0.32), 42.3°(0.14), 42.8°(0.23), 46.6°(0.29), 50.4°(0.23), 54.9°(0.15), 62.7°(0.17), 74.... | JVASP-26181 | 4.08 5.63 6.97
78 72 68
Ca 0.074 0.558 0.761
Ca 0.392 0.442 0.239
B 0.735 0.500 0.500
B 0.476 0.938 0.120
B 0.533 0.062 0.880
B 0.374 0.017 0.690
B 0.081 0.983 0.310
Os 0.010 0.000 -0.000
Os 0.879 0.136 0.598
Os 0.613 0.864 0.402 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.