instruction stringclasses 1
value | input stringlengths 172 433 | id stringlengths 7 12 | output stringlengths 43 458 |
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Below is a description of a material. | The chemical formula is: Mn4Ga.
The XRD pattern shows main peaks at: 43.6°(1.0), 44.8°(0.28), 51.1°(0.58), 74.4°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-109716 | 2.55 2.55 10.23
82 90 120
Mn 0.596 0.191 0.213
Mn 0.201 0.401 0.398
Mn 0.799 0.599 0.602
Mn 0.404 0.809 0.787
Ga 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: SmMgCrS4.
The XRD pattern shows main peaks at: 14.4°(0.85), 16.5°(0.17), 23.7°(0.13), 27.3°(0.68), 33.3°(1.0), 36.2°(0.22), 36.9°(0.09), 43.9°(0.22), 47.1°(0.15), 47.8°(0.59), 48.5°(0.15), 58.9°(0.1), 60.1°(0.11), 69.9°(0.12).
Generate atomic structure description with lattice lengths, angles, ... | JVASP-133528 | 7.72 7.61 7.61
59 59 59
Sm 0.500 0.500 0.500
Sm 1.000 0.500 0.500
Mg 0.873 0.877 0.877
Mg 0.127 0.123 0.123
Cr 0.500 0.500 0.000
Cr 0.500 0.000 0.500
S 0.708 0.757 0.757
S 0.273 0.222 0.732
S 0.273 0.732 0.222
S 0.723 0.243 0.243
S 0.727 0.268 0.778
S 0.277 0.757 0.757
S 0.292 0.243 0.243
S 0.727 0.778 0.268 |
Below is a description of a material. | The chemical formula is: BaSrMg2.
The XRD pattern shows main peaks at: 14.7°(0.06), 20.9°(0.4), 29.8°(1.0), 36.7°(0.17), 42.5°(0.14), 47.8°(0.15), 52.7°(0.3), 61.9°(0.1), 66.1°(0.07), 69.9°(0.13), 70.5°(0.07), 85.4°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-69157 | 6.02 6.02 4.22
90 90 90
Ba 0.500 0.500 0.500
Sr 0.000 0.000 0.500
Mg 0.000 0.500 0.000
Mg 0.500 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Nb2AsC.
The XRD pattern shows main peaks at: 30.7°(0.26), 38.2°(1.0), 54.6°(0.24), 68.6°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-16233 | 3.36 3.36 12.03
90 90 120
Nb 0.333 0.667 0.594
Nb 0.667 0.333 0.094
Nb 0.667 0.333 0.406
Nb 0.333 0.667 0.906
As 0.667 0.333 0.750
As 0.333 0.667 0.250
C 0.000 0.000 0.500
C 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: TiAu2.
The XRD pattern shows main peaks at: 20.7°(0.14), 27.8°(0.36), 36.7°(0.7), 40.9°(1.0), 42.5°(0.09), 52.9°(0.25), 60.8°(0.09), 65.2°(0.06), 69.0°(0.46), 77.3°(0.17), 78.1°(0.08), 88.8°(0.11), 89.6°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and ... | JVASP-35760 | 3.46 3.46 4.94
110 110 90
Ti 0.000 0.000 0.000
Au 0.664 0.664 0.328
Au 0.336 0.336 0.672 |
Below is a description of a material. | The chemical formula is: CdSnTe2.
The XRD pattern shows main peaks at: 28.5°(1.0), 40.8°(0.78), 50.5°(0.28), 59.0°(0.12), 66.9°(0.33), 74.2°(0.24), 88.4°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-186190 | 4.43 4.43 6.25
90 90 90
Cd 0.500 0.500 0.502
Sn 0.000 -0.000 0.003
Te 0.000 -0.000 0.503
Te 0.500 0.500 0.002 |
Below is a description of a material. | The chemical formula is: Cu3W.
The XRD pattern shows main peaks at: 23.7°(0.27), 33.8°(0.24), 41.7°(1.0), 48.6°(0.52), 54.8°(0.13), 60.5°(0.1), 71.2°(0.29), 76.2°(0.07), 86.0°(0.36).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-127032 | 3.75 3.75 3.75
90 90 90
Cu 0.000 0.500 0.500
Cu 0.500 0.000 0.500
Cu 0.500 0.500 0.000
W 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: SnPd3.
The XRD pattern shows main peaks at: 38.6°(1.0), 44.9°(0.49), 65.4°(0.29), 78.6°(0.35), 82.8°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-18948 | 4.04 4.04 4.04
90 90 90
Sn 0.000 0.000 0.000
Pd 0.000 0.500 0.500
Pd 0.500 0.500 0.000
Pd 0.500 0.000 0.500 |
Below is a description of a material. | The chemical formula is: Y5Mg.
The XRD pattern shows main peaks at: 11.1°(0.07), 29.0°(0.21), 29.7°(0.2), 31.9°(0.39), 33.2°(1.0), 33.7°(0.26), 43.6°(0.09), 50.8°(0.1), 52.2°(0.2), 57.6°(0.12), 60.0°(0.05), 61.3°(0.12), 62.4°(0.18), 63.9°(0.05), 84.3°(0.07).
Generate atomic structure description with lattice lengths, a... | JVASP-168078 | 12.68 3.59 8.26
90 104 90
Y 1.000 0.000 0.012
Y 0.179 0.500 0.335
Y 0.049 0.000 0.595
Y 0.330 -0.000 0.674
Y 0.217 0.500 0.943
Y 0.500 0.500 0.012
Y 0.679 -0.000 0.335
Y 0.549 0.500 0.595
Y 0.830 0.500 0.674
Y 0.717 0.000 0.943
Mg 0.391 -0.000 0.274
Mg 0.891 0.500 0.274 |
Below is a description of a material. | The chemical formula is: AlClO3.
The XRD pattern shows main peaks at: 20.6°(0.49), 27.3°(1.0), 31.2°(0.34), 37.7°(0.08), 41.9°(0.3), 44.5°(0.14), 45.7°(0.17), 49.7°(0.07), 53.2°(0.1), 55.5°(0.06), 65.0°(0.17), 65.8°(0.17), 71.9°(0.09), 88.7°(0.08).
Generate atomic structure description with lattice lengths, angles, coo... | JVASP-138971 | 4.39 4.39 4.39
81 81 81
Al -0.053 -0.053 -0.053
Cl 0.503 0.503 0.503
O 0.152 0.579 0.579
O 0.579 0.579 0.152
O 0.579 0.152 0.579 |
Below is a description of a material. | The chemical formula is: Mn2CoO4.
The XRD pattern shows main peaks at: 18.8°(0.08), 30.9°(0.33), 36.4°(1.0), 38.0°(0.07), 44.2°(0.18), 58.5°(0.29), 64.3°(0.44).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-173878 | 5.79 5.79 5.79
59 59 90
Mn 0.625 0.375 0.250
Mn 0.125 0.375 0.250
Mn 0.625 0.875 0.750
Mn 0.625 0.375 0.750
Co 0.250 0.750 0.500
Co 0.000 0.000 -0.000
O 0.408 0.136 0.728
O 0.864 0.136 0.728
O 0.386 0.614 0.772
O 0.842 0.614 0.772
O 0.864 0.136 0.272
O 0.864 0.592 0.272
O 0.386 0.158 0.228
O 0.386 0.614 0.228 |
Below is a description of a material. | The chemical formula is: BPbO3.
The XRD pattern shows main peaks at: 19.0°(0.58), 26.5°(0.62), 32.8°(1.0), 37.8°(0.29), 38.5°(0.14), 42.6°(0.53), 47.3°(0.37), 54.6°(0.17), 55.0°(0.19), 58.3°(0.15), 61.7°(0.13), 65.2°(0.26), 66.0°(0.16), 68.7°(0.11), 72.4°(0.07), 75.1°(0.19), 80.8°(0.05), 84.0°(0.06), 84.7°(0.06), 88.4°... | JVASP-115489 | 3.36 3.36 4.68
90 90 90
B 0.500 0.500 0.545
Pb 0.000 0.000 0.042
O 0.000 0.500 0.663
O 0.500 0.000 0.663
O 0.500 0.500 0.247 |
Below is a description of a material. | The chemical formula is: TiIrOs.
The XRD pattern shows main peaks at: 23.5°(0.39), 40.9°(1.0), 41.4°(0.84), 48.1°(0.06), 59.5°(0.35), 69.0°(0.07), 75.1°(0.38), 83.8°(0.21).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-186664 | 4.37 4.37 2.72
90 90 120
Ti 0.667 0.333 0.500
Ir -0.000 -0.000 -0.000
Os 0.333 0.667 0.500 |
Below is a description of a material. | The chemical formula is: CaAl2Sn2.
The XRD pattern shows main peaks at: 22.8°(0.22), 23.7°(0.22), 25.7°(1.0), 33.1°(0.46), 40.0°(0.51), 42.9°(0.44), 47.0°(0.25), 48.2°(0.2), 52.9°(0.12), 60.1°(0.17), 64.4°(0.21), 66.6°(0.13), 68.3°(0.11), 72.7°(0.09), 74.7°(0.18), 80.7°(0.07).
Generate atomic structure description with... | JVASP-102431 | 4.50 4.50 7.52
90 90 120
Ca 0.000 0.000 0.000
Al 0.667 0.333 0.370
Al 0.333 0.667 0.630
Sn 0.667 0.333 0.749
Sn 0.333 0.667 0.251 |
Below is a description of a material. | The chemical formula is: PmTl3.
The XRD pattern shows main peaks at: 32.3°(1.0), 37.5°(0.53), 54.1°(0.37), 64.4°(0.42), 67.7°(0.13), 80.0°(0.06), 89.0°(0.19).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-40881 | 4.80 4.80 4.80
90 90 90
Pm 0.000 0.000 0.000
Tl 0.500 0.500 0.000
Tl 0.500 0.000 0.500
Tl 0.000 0.500 0.500 |
Below is a description of a material. | The chemical formula is: C.
The XRD pattern shows main peaks at: 8.8°(1.0), 17.7°(0.19), 26.8°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-30501 | 2.47 2.47 10.00
90 90 120
C 0.000 0.000 0.250
C 0.333 0.667 0.250 |
Below is a description of a material. | The chemical formula is: BeCdIn.
The XRD pattern shows main peaks at: 14.0°(0.14), 28.2°(0.26), 31.8°(0.2), 34.9°(1.0), 43.0°(0.38), 54.4°(0.15), 56.6°(0.17), 64.4°(0.13), 68.0°(0.13), 73.6°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-74175 | 3.25 3.25 6.33
90 90 119
Be 0.000 0.000 0.007
Cd 0.667 0.333 0.294
In 0.333 0.667 0.699 |
Below is a description of a material. | The chemical formula is: Hf3TaFe8.
The XRD pattern shows main peaks at: 21.3°(0.19), 22.2°(0.11), 24.0°(0.14), 30.9°(0.15), 37.3°(0.71), 40.1°(1.0), 43.4°(0.15), 43.8°(0.92), 44.9°(0.51), 62.0°(0.14), 67.3°(0.13), 69.2°(0.38), 71.8°(0.21), 74.6°(0.26), 79.6°(0.21).
Generate atomic structure description with lattice len... | JVASP-121617 | 4.82 4.82 8.02
90 90 120
Hf 0.333 0.667 0.439
Hf 0.333 0.667 0.064
Hf 0.667 0.333 0.935
Ta 0.667 0.333 0.564
Fe 0.000 0.000 0.500
Fe 0.000 0.000 0.999
Fe 0.169 0.338 0.747
Fe 0.169 0.831 0.747
Fe 0.662 0.831 0.747
Fe 0.830 0.661 0.252
Fe 0.830 0.170 0.252
Fe 0.339 0.170 0.252 |
Below is a description of a material. | The chemical formula is: H4IN.
The XRD pattern shows main peaks at: 20.6°(0.64), 25.1°(0.07), 29.2°(1.0), 36.0°(0.29), 41.4°(0.07), 41.9°(0.16), 44.1°(0.05), 46.7°(0.13), 47.1°(0.26), 51.9°(0.33), 53.8°(0.05), 60.4°(0.09), 64.5°(0.09), 68.9°(0.12), 72.7°(0.09), 84.0°(0.08).
Generate atomic structure description with la... | JVASP-51724 | 6.09 6.09 4.36
90 90 90
H 0.500 0.360 0.138
H 0.500 0.640 0.138
H 0.000 0.860 0.862
H 0.000 0.140 0.862
H 0.360 0.500 0.862
H 0.640 0.500 0.862
H 0.860 0.000 0.138
H 0.140 0.000 0.138
I 0.500 0.000 0.461
I 0.000 0.500 0.539
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: Li5Mn2Co3O10.
The XRD pattern shows main peaks at: 12.9°(0.71), 18.9°(1.0), 23.3°(0.18), 27.1°(0.15), 27.5°(0.17), 30.6°(0.11), 33.8°(0.07), 36.7°(0.19), 38.2°(0.29), 44.1°(0.54), 44.8°(0.91), 64.4°(0.28), 64.9°(0.36), 65.4°(0.14), 81.9°(0.17).
Generate atomic structure description with lattice... | JVASP-132861 | 4.97 5.02 7.61
69 70 79
Li 0.217 0.498 0.594
Li 0.404 0.492 0.213
Li 0.500 0.000 0.500
Li 0.785 0.507 0.410
Li 0.601 0.500 0.785
Mn 0.100 -0.000 0.305
Mn 0.898 0.005 0.697
Co 0.696 0.005 0.103
Co 0.303 -0.016 0.894
Co 0.008 0.504 -0.000
O 0.865 0.777 0.545
O 0.031 0.777 0.156
O 0.131 0.228 0.457
O 0.339 0.238 0.067
O 0... |
Below is a description of a material. | The chemical formula is: Te2MoW3Se4S2.
The XRD pattern shows main peaks at: 2.3°(1.0), 4.7°(0.5), 7.0°(0.08), 11.7°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-28929 | 3.35 3.35 37.95
90 90 120
Te 0.333 0.667 0.708
Te 0.333 0.667 0.607
Mo 0.667 0.333 0.282
W 0.333 0.667 0.094
W 0.333 0.667 0.470
W 0.667 0.333 0.658
Se 0.667 0.333 0.050
Se 0.667 0.333 0.425
Se 0.667 0.333 0.138
Se 0.667 0.333 0.514
S 0.333 0.667 0.322
S 0.333 0.667 0.242 |
Below is a description of a material. | The chemical formula is: CeCr2B6.
The XRD pattern shows main peaks at: 17.2°(0.36), 21.4°(0.24), 27.3°(0.72), 30.9°(0.69), 35.2°(0.98), 38.9°(0.94), 41.7°(1.0), 42.9°(0.09), 53.5°(0.31), 55.1°(0.47), 56.2°(0.4), 60.0°(0.14), 65.6°(0.22), 67.1°(0.11), 67.6°(0.08), 69.5°(0.18), 71.5°(0.23), 81.3°(0.09).
Generate atomic s... | JVASP-15090 | 3.08 5.51 5.51
72 73 73
Ce 0.000 0.000 0.000
Cr 0.845 0.655 0.655
Cr 0.155 0.345 0.345
B 0.696 0.541 0.066
B 0.304 0.459 0.934
B 0.304 0.934 0.459
B 0.500 0.358 0.642
B 0.500 0.642 0.358
B 0.696 0.066 0.541 |
Below is a description of a material. | The chemical formula is: Be2IrPt.
The XRD pattern shows main peaks at: 31.8°(1.0), 45.4°(0.97), 56.5°(0.38), 65.9°(0.06), 66.4°(0.14), 75.0°(0.17), 75.4°(0.27), 83.7°(0.15), 84.1°(0.3).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-70966 | 3.98 3.98 2.84
90 90 90
Be 0.500 0.000 0.000
Be 0.000 0.500 0.000
Ir 0.500 0.500 0.500
Pt 0.000 0.000 0.500 |
Below is a description of a material. | The chemical formula is: SrPd2.
The XRD pattern shows main peaks at: 19.5°(0.13), 32.1°(0.2), 37.8°(1.0), 39.5°(0.45), 46.0°(0.08), 61.0°(0.31), 67.0°(0.26).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-19757 | 5.58 5.58 5.58
60 60 60
Sr 0.125 0.125 0.125
Sr 0.875 0.875 0.875
Pd 0.000 0.500 0.500
Pd 0.500 0.000 0.500
Pd 0.500 0.500 -0.000
Pd 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: SmDyIr2.
The XRD pattern shows main peaks at: 36.7°(1.0), 53.0°(0.18), 66.2°(0.41), 78.2°(0.12), 89.6°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-39068 | 4.89 4.89 4.89
60 60 60
Sm 0.750 0.750 0.750
Dy 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: Rb7Au5O2.
The XRD pattern shows main peaks at: 19.0°(0.1), 22.5°(0.13), 28.7°(0.08), 29.6°(1.0), 31.5°(0.26), 32.6°(0.18), 38.5°(0.11), 46.0°(0.13), 50.6°(0.11), 51.4°(0.08), 54.9°(0.18), 56.4°(0.07), 61.5°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates a... | JVASP-26948 | 5.68 9.34 9.88
118 106 90
Rb -0.000 0.500 -0.000
Rb 0.500 0.789 -0.000
Rb 0.500 0.211 0.000
Rb 0.168 0.392 0.336
Rb 0.832 0.608 0.664
Rb 0.832 0.055 0.664
Rb 0.168 0.945 0.336
Au 0.000 0.000 0.000
Au 0.351 0.351 0.702
Au 0.649 0.649 0.298
Au 0.688 0.188 0.376
Au 0.312 0.812 0.624
O 0.000 0.217 0.000
O -0.000 0.783 -0.0... |
Below is a description of a material. | The chemical formula is: LiNiBi.
The XRD pattern shows main peaks at: 25.3°(1.0), 29.3°(0.25), 41.9°(0.67), 49.6°(0.5), 52.0°(0.07), 60.8°(0.12), 66.9°(0.21), 68.9°(0.1), 76.6°(0.23), 82.2°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-161074 | 4.31 4.31 4.31
60 60 60
Li 0.750 0.750 0.750
Ni 0.000 0.000 0.000
Bi 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: Zr2TlC.
The XRD pattern shows main peaks at: 11.8°(0.15), 23.7°(0.07), 30.5°(0.22), 31.1°(0.11), 35.5°(1.0), 54.1°(0.21), 66.4°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-35613 | 3.39 3.39 15.02
90 90 119
Zr 0.667 0.333 0.418
Zr 0.333 0.667 0.582
Zr 0.333 0.667 0.918
Zr 0.667 0.333 0.082
Tl 0.667 0.333 0.750
Tl 0.333 0.667 0.250
C 0.000 0.000 0.000
C 0.000 0.000 0.500 |
Below is a description of a material. | The chemical formula is: Te2Pt.
The XRD pattern shows main peaks at: 16.6°(0.27), 30.2°(1.0), 42.3°(0.52), 44.3°(0.44), 47.6°(0.12), 54.6°(0.2), 57.9°(0.14), 62.9°(0.16), 72.8°(0.18), 75.6°(0.06), 81.5°(0.08), 87.0°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-128443 | 4.09 4.09 5.35
90 90 120
Te 0.334 0.000 0.592
Te 0.666 0.666 0.075
Pt -0.000 0.333 0.333 |
Below is a description of a material. | The chemical formula is: La2Cu2O5.
The XRD pattern shows main peaks at: 20.7°(0.35), 24.7°(0.31), 26.8°(0.19), 30.1°(0.36), 31.3°(0.91), 32.0°(0.37), 34.1°(1.0), 41.7°(0.15), 43.0°(0.18), 43.9°(0.16), 44.4°(0.7), 49.4°(0.16), 56.5°(0.17), 57.9°(0.24), 58.4°(0.2), 60.1°(0.2), 62.5°(0.18), 66.9°(0.13), 71.9°(0.15), 79.9°... | JVASP-133180 | 6.65 6.65 5.60
90 90 90
La 0.733 0.110 0.500
La 0.890 0.733 0.000
La 0.267 0.890 0.500
La 0.110 0.267 0.000
Cu 0.590 0.313 0.000
Cu 0.313 0.410 0.500
Cu 0.410 0.687 0.000
Cu 0.687 0.590 0.500
O 0.592 0.788 0.741
O 0.212 0.592 0.241
O 0.212 0.592 0.759
O 0.000 0.000 0.750
O 0.592 0.788 0.259
O 0.408 0.212 0.741
O 0.788 ... |
Below is a description of a material. | The chemical formula is: PrPt3.
The XRD pattern shows main peaks at: 36.8°(1.0), 42.8°(0.47), 62.1°(0.33), 74.4°(0.4), 78.3°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-128096 | 4.23 4.23 4.23
90 90 90
Pr 0.000 0.000 0.000
Pt 0.000 0.500 0.500
Pt 0.500 0.000 0.500
Pt 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: MgZr3.
The XRD pattern shows main peaks at: 23.7°(0.17), 28.1°(0.06), 32.6°(0.24), 34.9°(0.26), 37.1°(1.0), 48.5°(0.15), 58.2°(0.17), 64.0°(0.19), 69.7°(0.19), 71.1°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-38938 | 6.34 6.34 5.14
90 90 120
Mg 0.333 0.667 0.750
Mg 0.667 0.333 0.250
Zr 0.831 0.663 0.750
Zr 0.337 0.169 0.750
Zr 0.831 0.169 0.750
Zr 0.169 0.831 0.250
Zr 0.663 0.831 0.250
Zr 0.169 0.337 0.250 |
Below is a description of a material. | The chemical formula is: K3NaFeCl6.
The XRD pattern shows main peaks at: 13.9°(0.54), 14.3°(0.82), 15.3°(0.89), 16.0°(0.34), 28.0°(0.4), 28.9°(0.44), 30.9°(0.5), 32.4°(1.0), 33.2°(0.54), 33.9°(0.22), 34.5°(0.21), 35.1°(0.96), 37.2°(0.36), 42.4°(0.49), 43.3°(0.82), 44.0°(0.23), 47.1°(0.33), 49.4°(0.15), 57.8°(0.19), 59.... | JVASP-99218 | 8.46 8.46 7.30
57 57 97
K 0.500 0.500 -0.000
K 0.000 0.500 -0.000
K 0.500 0.000 -0.000
Na 0.000 0.000 -0.000
Fe 0.500 0.500 0.500
Cl 0.188 0.464 0.528
Cl 0.188 0.188 0.092
Cl 0.464 0.188 0.528
Cl 0.812 0.536 0.472
Cl 0.812 0.812 -0.092
Cl 0.536 0.812 0.472 |
Below is a description of a material. | The chemical formula is: NaGa2Ag2.
The XRD pattern shows main peaks at: 17.8°(0.72), 21.1°(0.28), 32.7°(1.0), 33.2°(0.27), 38.8°(0.73), 43.0°(0.28), 44.6°(0.08), 45.8°(0.75), 49.9°(0.07), 52.0°(0.14), 56.1°(0.26), 59.4°(0.1), 62.8°(0.15), 64.9°(0.06), 66.5°(0.22), 69.7°(0.06), 75.2°(0.32), 83.4°(0.07), 89.4°(0.14).
Gen... | JVASP-158122 | 5.96 5.96 5.96
134 134 66
Na 0.000 0.000 0.000
Ga 0.374 0.374 -0.000
Ga 0.626 0.626 0.000
Ag 0.750 0.250 0.500
Ag 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: Li2Ni5O7.
The XRD pattern shows main peaks at: 13.6°(0.05), 19.6°(0.14), 22.0°(0.23), 24.3°(0.46), 25.7°(0.08), 27.1°(0.24), 36.4°(0.06), 38.1°(1.0), 40.0°(0.05), 43.1°(0.68), 44.4°(0.63), 45.2°(0.6), 63.6°(0.35), 64.3°(0.33), 65.2°(0.34), 75.7°(0.15), 81.4°(0.3).
Generate atomic structure desc... | JVASP-140606 | 5.01 5.01 6.62
81 81 47
Li 0.566 0.566 0.776
Li 0.434 0.434 0.224
Ni 0.284 0.284 0.645
Ni 0.862 0.862 0.936
Ni 0.138 0.138 0.064
Ni -0.000 0.000 0.500
Ni 0.716 0.716 0.355
O 0.791 0.791 0.616
O 0.061 0.061 0.786
O 0.341 0.341 0.914
O 0.939 0.939 0.214
O 0.659 0.659 0.086
O 0.500 0.500 0.500
O 0.209 0.209 0.384 |
Below is a description of a material. | The chemical formula is: K3I2.
The XRD pattern shows main peaks at: 7.6°(0.21), 15.2°(0.65), 18.2°(0.72), 22.9°(0.45), 25.9°(1.0), 29.4°(0.47), 30.1°(0.45), 34.8°(0.62), 36.9°(0.38), 40.1°(0.21), 41.5°(0.17), 43.9°(0.31), 47.0°(0.18), 47.9°(0.23), 53.2°(0.13), 54.5°(0.13), 58.6°(0.11), 60.1°(0.17), 62.4°(0.11), 65.2°(0... | JVASP-184230 | 4.87 4.87 11.67
90 90 90
K 0.500 0.500 0.217
K -0.000 -0.000 0.500
K 0.500 0.500 0.783
I 0.000 -0.000 0.806
I -0.000 0.000 0.194 |
Below is a description of a material. | The chemical formula is: Er3Zr.
The XRD pattern shows main peaks at: 31.4°(0.58), 32.7°(0.35), 34.5°(1.0), 39.2°(0.3), 52.0°(0.15), 53.7°(0.25), 63.6°(0.08), 64.3°(0.27), 65.4°(0.14), 68.5°(0.06), 89.6°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-123267 | 3.41 3.41 10.95
90 90 120
Er 0.333 0.667 0.238
Er 0.000 0.000 0.500
Er 0.667 0.333 0.762
Zr 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: IrN3.
The XRD pattern shows main peaks at: 14.2°(1.0), 28.7°(0.38), 29.8°(0.34), 33.2°(0.7), 36.3°(0.16), 39.2°(0.18), 41.9°(0.26), 43.7°(0.07), 46.9°(0.16), 48.3°(0.06), 50.6°(0.12), 53.8°(0.17), 57.2°(0.08), 58.0°(0.06), 63.3°(0.12), 63.9°(0.11), 67.9°(0.07), 69.1°(0.09), 69.6°(0.08), 78.8°(0... | JVASP-128663 | 3.11 3.11 6.22
90 90 74
Ir 0.134 0.134 0.000
N 0.708 0.414 0.500
N -0.255 -0.255 0.000
N 0.414 0.708 0.500 |
Below is a description of a material. | The chemical formula is: Kr.
The XRD pattern shows main peaks at: 27.5°(1.0), 31.9°(0.47), 45.7°(0.35), 54.1°(0.38), 56.8°(0.12), 66.6°(0.06), 73.5°(0.14), 75.7°(0.16), 84.5°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-907 | 3.97 3.97 3.97
60 60 60
Kr 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: LiIO.
The XRD pattern shows main peaks at: 21.9°(0.64), 22.9°(1.0), 31.9°(0.9), 40.3°(0.38), 44.6°(0.09), 46.3°(0.51), 46.9°(0.14), 50.7°(0.24), 52.3°(0.21), 61.6°(0.2), 63.5°(0.12), 66.7°(0.1), 68.0°(0.2), 74.1°(0.05), 77.5°(0.1), 80.9°(0.12), 83.4°(0.09).
Generate atomic structure description... | JVASP-118555 | 4.48 4.48 4.06
90 90 120
Li 0.333 0.667 0.000
I 0.000 0.000 0.000
O 0.667 0.333 0.000 |
Below is a description of a material. | The chemical formula is: LaSeCl.
The XRD pattern shows main peaks at: 22.7°(0.51), 23.3°(0.11), 25.5°(0.4), 30.7°(0.23), 31.1°(0.16), 31.6°(0.18), 32.7°(1.0), 36.0°(0.21), 37.9°(0.49), 39.4°(0.15), 40.6°(0.37), 41.4°(0.28), 42.3°(0.13), 43.3°(0.11), 47.7°(0.17), 59.4°(0.25), 60.0°(0.17), 65.6°(0.11), 70.1°(0.11), 72.6°... | JVASP-151055 | 4.36 7.64 9.14
90 90 90
La 0.250 0.258 0.868
La 0.750 0.242 0.368
La 0.750 0.742 0.132
La 0.250 0.758 0.632
Se 0.250 0.459 0.172
Se 0.750 0.041 0.672
Se 0.750 0.541 0.828
Se 0.250 0.959 0.328
Cl 0.250 0.865 0.940
Cl 0.750 0.635 0.440
Cl 0.750 0.135 0.060
Cl 0.250 0.365 0.560 |
Below is a description of a material. | The chemical formula is: La2MgAl.
The XRD pattern shows main peaks at: 23.0°(0.54), 32.8°(1.0), 40.5°(0.15), 47.1°(0.16), 53.0°(0.23), 58.5°(0.35), 68.7°(0.11), 78.3°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-106954 | 5.46 5.46 5.46
60 60 60
La 0.250 0.250 0.250
La 0.750 0.750 0.750
Mg 0.000 0.000 0.000
Al 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: HfH6C5O4.
The XRD pattern shows main peaks at: 10.7°(1.0), 21.5°(0.2), 22.4°(0.21), 24.9°(0.18), 26.4°(0.18), 27.4°(0.09), 28.2°(0.11), 28.8°(0.09), 30.2°(0.11), 32.0°(0.08), 32.5°(0.22), 33.7°(0.07), 36.5°(0.09), 41.7°(0.06), 43.2°(0.09), 45.5°(0.07), 46.2°(0.08), 50.4°(0.05), 53.4°(0.06).
Gen... | JVASP-101940 | 4.01 4.68 8.40
94 96 115
Hf 0.027 0.201 0.289
H 0.442 0.114 0.020
H 0.846 0.642 0.954
H 0.597 0.324 0.595
H 0.817 0.734 0.678
H 0.339 0.461 0.762
H 0.899 0.194 0.800
C 0.042 0.604 0.486
C 0.870 0.531 0.638
C 0.269 0.571 0.093
C 0.067 0.440 0.782
C 0.123 0.661 0.937
O 0.549 0.259 0.274
O 0.064 0.868 0.443
O 0.359 0.981 ... |
Below is a description of a material. | The chemical formula is: Al.
The XRD pattern shows main peaks at: 4.4°(1.0), 6.2°(0.88), 7.7°(0.39), 8.8°(0.22), 9.9°(0.74), 10.8°(0.57), 12.5°(0.21), 13.3°(0.46), 14.0°(0.33), 14.7°(0.3), 16.0°(0.24), 16.6°(0.44), 18.3°(0.35), 18.8°(0.24), 19.3°(0.14), 20.3°(0.24), 22.7°(0.29), 24.0°(0.24), 24.4°(0.16), 25.6°(0.14).
G... | JVASP-7148 | 20.00 20.00 20.00
90 90 90
Al 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Li2H.
The XRD pattern shows main peaks at: 17.8°(0.16), 36.1°(0.22), 36.6°(0.12), 41.0°(1.0), 52.4°(0.24), 65.9°(0.18), 68.3°(0.2), 77.6°(0.15), 80.7°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-187701 | 2.83 2.83 4.97
90 90 119
Li 0.666 0.333 0.764
Li 0.334 0.667 0.236
H 0.000 0.000 -0.000 |
Below is a description of a material. | The chemical formula is: CeHoIn2.
The XRD pattern shows main peaks at: 33.4°(1.0), 48.0°(0.16), 59.7°(0.37), 70.2°(0.1), 80.0°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-106942 | 5.37 5.37 5.37
60 60 60
Ce 0.500 0.500 0.500
Ho 0.000 0.000 0.000
In 0.250 0.250 0.250
In 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: VOF3.
The XRD pattern shows main peaks at: 22.1°(0.46), 24.5°(1.0), 25.5°(0.77), 31.8°(0.19), 39.2°(0.19), 40.2°(0.09), 44.5°(0.24), 45.0°(0.26), 47.0°(0.24), 50.2°(0.1), 52.5°(0.08), 53.5°(0.08), 61.9°(0.1), 62.4°(0.1), 65.2°(0.08), 66.5°(0.06), 67.1°(0.11).
Generate atomic structure descripti... | JVASP-43697 | 5.63 7.34 7.34
66 69 69
V 0.247 0.223 0.223
V 0.812 0.724 0.724
V 0.567 0.470 0.470
V 0.052 0.974 0.974
O 0.136 0.119 0.119
O 0.348 0.876 0.876
O 0.866 0.369 0.369
O 0.114 0.634 0.634
F 0.735 0.549 0.971
F 0.383 0.381 0.381
F 0.866 0.877 0.877
F 0.588 0.137 0.137
F 0.498 0.302 0.722
F 0.225 0.476 0.056
F 0.653 0.618 0.... |
Below is a description of a material. | The chemical formula is: Li2Te.
The XRD pattern shows main peaks at: 23.8°(1.0), 27.5°(0.4), 39.3°(0.43), 46.5°(0.49), 48.7°(0.12), 56.9°(0.07), 62.5°(0.2), 64.3°(0.15), 71.3°(0.15), 76.4°(0.15), 89.5°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-78529 | 4.58 4.58 4.58
60 60 60
Li 0.250 0.250 0.250
Li 0.750 0.750 0.750
Te 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Sc2SnRu.
The XRD pattern shows main peaks at: 23.2°(0.22), 38.3°(1.0), 45.2°(0.11), 55.3°(0.16), 60.7°(0.05), 69.2°(0.31), 82.0°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-185066 | 4.70 4.70 4.70
60 60 60
Sc -0.000 -0.000 0.000
Sc 0.250 0.250 0.250
Sn 0.750 0.750 0.750
Ru 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: SrCuSn2.
The XRD pattern shows main peaks at: 9.1°(0.08), 18.2°(0.07), 19.7°(0.13), 27.4°(0.06), 29.9°(0.2), 30.7°(1.0), 33.8°(0.23), 38.9°(0.27), 39.3°(0.27), 41.9°(0.13), 42.6°(0.25), 46.2°(0.13), 50.1°(0.09), 52.4°(0.14), 56.4°(0.2), 58.5°(0.09), 62.2°(0.1), 65.3°(0.13), 65.9°(0.12), 73.0°(0... | JVASP-92211 | 4.59 4.64 10.04
103 90 90
Sr 0.750 0.392 0.784
Sr 0.250 0.608 0.216
Cu 0.750 0.175 0.351
Cu 0.250 0.825 0.649
Sn 0.250 0.250 0.499
Sn 0.250 0.957 0.913
Sn 0.750 0.750 0.501
Sn 0.750 0.043 0.087 |
Below is a description of a material. | The chemical formula is: Pm2PdAu.
The XRD pattern shows main peaks at: 34.9°(1.0), 50.2°(0.18), 62.6°(0.35), 73.8°(0.12), 84.3°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-106972 | 5.14 5.14 5.14
60 60 60
Pm 0.250 0.250 0.250
Pm 0.750 0.750 0.750
Pd 0.000 0.000 0.000
Au 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: HfZnPt2.
The XRD pattern shows main peaks at: 24.0°(0.06), 27.7°(0.06), 39.6°(1.0), 57.3°(0.18), 71.9°(0.36), 85.4°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-37797 | 4.55 4.55 4.55
60 60 60
Hf 0.250 0.250 0.250
Zn 0.750 0.750 0.750
Pt 0.000 0.000 0.000
Pt 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Ag5SbS4.
The XRD pattern shows main peaks at: 24.3°(0.19), 24.9°(0.18), 26.4°(0.16), 28.8°(0.96), 30.6°(1.0), 31.9°(0.23), 33.9°(0.74), 35.5°(0.21), 36.7°(0.28), 38.5°(0.2), 40.9°(0.32), 42.3°(0.25), 45.1°(0.1), 46.4°(0.07), 47.5°(0.13), 48.7°(0.26), 50.0°(0.15), 51.1°(0.1), 55.2°(0.12), 60.5°(... | JVASP-19088 | 7.32 7.32 8.79
90 90 115
Ag 0.559 0.805 0.489
Ag 0.869 0.745 0.669
Ag 0.441 0.195 0.989
Ag 0.858 0.142 0.832
Ag 0.142 0.858 0.332
Ag 0.255 0.131 0.669
Ag 0.745 0.869 0.169
Ag 0.195 0.441 0.489
Ag 0.131 0.255 0.169
Ag 0.805 0.559 0.989
Sb 0.326 0.674 0.899
Sb 0.674 0.326 0.399
S 0.500 0.967 0.726
S 0.500 0.033 0.226
S 0... |
Below is a description of a material. | The chemical formula is: LiRhF.
The XRD pattern shows main peaks at: 24.8°(1.0), 35.5°(0.24), 43.7°(0.6), 50.8°(0.13), 57.5°(0.35), 63.6°(0.13), 69.2°(0.11), 80.3°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-138832 | 4.15 4.15 2.53
90 90 120
Li 0.333 0.667 0.000
Rh 0.667 0.333 0.000
F 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: UCr2Si2.
The XRD pattern shows main peaks at: 17.2°(0.19), 24.3°(0.88), 32.3°(0.2), 34.8°(0.86), 36.9°(1.0), 46.4°(0.35), 50.1°(0.3), 53.0°(0.06), 59.3°(0.45), 63.9°(0.16), 67.7°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-92383 | 3.92 3.92 5.84
109 109 90
U 0.000 0.000 0.000
Cr 0.250 0.750 0.500
Cr 0.750 0.250 0.500
Si 0.617 0.617 0.233
Si 0.383 0.383 0.767 |
Below is a description of a material. | The chemical formula is: CrNiP.
The XRD pattern shows main peaks at: 39.8°(1.0), 43.7°(0.58), 47.0°(0.43), 51.9°(0.24), 53.7°(0.19), 54.1°(0.19), 72.6°(0.21), 78.0°(0.11), 87.6°(0.19).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-89992 | 3.52 5.91 5.91
120 90 90
Cr 0.500 0.595 -0.000
Cr 0.500 0.405 0.405
Cr 0.500 1.000 0.595
Ni 0.000 0.256 0.000
Ni 0.000 0.744 0.744
Ni 0.000 -0.000 0.256
P 0.000 0.333 0.667
P 0.000 0.667 0.333
P 0.500 0.000 0.000 |
Below is a description of a material. | The chemical formula is: GaAsO.
The XRD pattern shows main peaks at: 13.7°(1.0), 18.6°(0.53), 19.4°(0.14), 23.2°(0.6), 27.0°(0.12), 27.5°(0.18), 30.9°(0.15), 33.5°(0.21), 36.3°(0.21), 37.8°(0.09), 40.4°(0.13), 41.8°(0.1), 44.2°(0.12), 46.2°(0.15), 47.4°(0.09), 48.4°(0.18), 49.6°(0.08), 54.6°(0.12), 57.6°(0.08), 59.5°(0... | JVASP-139674 | 6.48 6.48 4.76
90 90 90
Ga 0.315 -0.003 0.000
As -0.040 -0.064 0.000
O -0.003 0.277 0.000 |
Below is a description of a material. | The chemical formula is: Sr3Li3Ni4N4.
The XRD pattern shows main peaks at: 13.6°(0.51), 21.4°(0.1), 22.9°(0.15), 25.7°(0.65), 27.6°(0.29), 29.7°(0.37), 33.3°(0.87), 33.7°(0.48), 34.4°(0.67), 35.2°(1.0), 37.7°(0.17), 43.6°(0.19), 44.7°(0.16), 45.5°(0.36), 50.1°(0.16), 51.8°(0.24), 55.3°(0.13), 57.6°(0.34), 64.2°(0.29), ... | JVASP-152833 | 9.24 9.24 9.24
155 135 52
Sr 0.781 0.781 0.000
Sr 0.219 0.219 -0.000
Sr 0.000 0.000 0.000
Li 0.616 0.116 0.500
Li 0.384 0.884 0.500
Li 0.500 0.500 0.000
Ni 0.870 0.620 0.250
Ni 0.369 0.620 0.750
Ni 0.631 0.380 0.250
Ni 0.130 0.380 0.750
N 0.884 0.384 0.500
N 0.116 0.616 0.500
N 0.620 0.620 0.000
N 0.380 0.380 0.000 |
Below is a description of a material. | The chemical formula is: Ba2PrTaO6.
The XRD pattern shows main peaks at: 29.0°(1.0), 41.5°(0.29), 51.5°(0.39), 60.2°(0.18), 68.2°(0.18), 75.7°(0.06), 83.1°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-109099 | 6.15 6.15 6.15
60 60 60
Ba 0.250 0.250 0.250
Ba 0.750 0.750 0.750
Pr 0.500 0.500 0.500
Ta 0.000 0.000 0.000
O 0.769 0.231 0.231
O 0.231 0.769 0.769
O 0.231 0.769 0.231
O 0.769 0.231 0.769
O 0.231 0.231 0.769
O 0.769 0.769 0.231 |
Below is a description of a material. | The chemical formula is: NaMnO2.
The XRD pattern shows main peaks at: 16.7°(0.54), 33.8°(0.14), 34.4°(0.11), 35.8°(0.29), 41.0°(1.0), 53.2°(0.09), 58.1°(0.24), 60.7°(0.28), 68.9°(0.07), 75.9°(0.12), 88.9°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-106886 | 5.59 5.59 5.59
31 31 31
Na 0.500 0.500 0.500
Mn 0.000 0.000 0.000
O 0.267 0.267 0.267
O 0.733 0.733 0.733 |
Below is a description of a material. | The chemical formula is: RbIn6Au4.
The XRD pattern shows main peaks at: 12.4°(0.32), 19.5°(0.09), 23.1°(0.15), 24.9°(0.16), 29.2°(0.32), 31.8°(0.8), 33.1°(0.48), 38.7°(1.0), 39.5°(0.4), 42.8°(0.37), 43.8°(0.32), 52.5°(0.25), 56.0°(0.13), 60.4°(0.23), 65.1°(0.06), 66.9°(0.06), 68.7°(0.28), 70.7°(0.13), 71.1°(0.16), 78.9... | JVASP-86686 | 8.27 8.27 4.56
90 90 120
Rb 0.000 0.000 0.000
In 0.535 0.465 0.000
In 0.197 0.803 0.500
In 0.535 0.071 0.000
In 0.197 0.394 0.500
In 0.929 0.465 0.000
In 0.606 0.803 0.500
Au 0.796 0.204 0.500
Au 0.333 0.667 0.000
Au 0.796 0.592 0.500
Au 0.408 0.204 0.500 |
Below is a description of a material. | The chemical formula is: BeZn2Ge.
The XRD pattern shows main peaks at: 23.0°(0.1), 25.6°(0.28), 32.5°(0.08), 40.2°(1.0), 42.0°(0.07), 46.7°(0.32), 54.0°(0.07), 68.4°(0.19), 82.2°(0.23), 82.6°(0.11), 86.9°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-68158 | 4.75 4.75 4.75
131 131 70
Be 0.500 0.500 0.000
Zn 0.000 0.000 0.000
Zn 0.250 0.750 0.500
Ge 0.750 0.250 0.500 |
Below is a description of a material. | The chemical formula is: Be2IrW.
The XRD pattern shows main peaks at: 27.4°(1.0), 42.8°(0.71), 44.2°(0.3), 48.9°(0.12), 50.4°(0.22), 58.3°(0.25), 68.0°(0.08), 69.2°(0.16), 72.8°(0.16), 74.0°(0.07), 80.6°(0.05), 87.2°(0.1), 89.5°(0.19).
Generate atomic structure description with lattice lengths, angles, coordinates and ... | JVASP-74329 | 4.52 4.52 4.52
132 132 69
Be 0.000 0.000 0.000
Be 0.250 0.750 0.500
Ir 0.500 0.500 0.000
W 0.750 0.250 0.500 |
Below is a description of a material. | The chemical formula is: Mg2TiF.
The XRD pattern shows main peaks at: 11.6°(0.13), 33.2°(0.17), 35.4°(0.08), 39.1°(1.0), 44.3°(0.37), 47.8°(0.11), 58.0°(0.09), 64.5°(0.11), 67.2°(0.14), 69.8°(0.07), 78.1°(0.22), 84.1°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-134777 | 2.89 2.89 7.61
90 90 90
Mg 0.000 0.000 0.782
Mg 0.000 0.000 0.218
Ti 0.500 0.500 0.500
F 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: MoWC2.
The XRD pattern shows main peaks at: 17.5°(0.18), 31.5°(0.41), 35.4°(0.98), 36.2°(0.06), 48.1°(1.0), 63.6°(0.22), 65.7°(0.07), 72.7°(0.24), 75.0°(0.12), 76.9°(0.22), 83.6°(0.19).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-188552 | 2.84 2.93 5.07
90 90 90
Mo 0.500 0.500 0.166
C 0.000 0.000 0.999
C 0.000 0.500 0.501
W 0.500 0.000 0.667 |
Below is a description of a material. | The chemical formula is: Mg2H4Ru.
The XRD pattern shows main peaks at: 16.5°(1.0), 24.9°(0.58), 25.6°(0.1), 28.2°(0.14), 34.6°(0.24), 37.4°(0.26), 38.5°(0.83), 39.5°(0.13), 41.1°(0.22), 43.2°(0.17), 44.6°(0.28), 51.8°(0.14), 52.5°(0.08), 54.8°(0.09), 58.4°(0.14), 66.2°(0.07), 68.1°(0.19), 72.3°(0.1), 76.1°(0.1), 82.4°(... | JVASP-51717 | 5.45 5.45 4.81
90 90 79
Mg 0.070 0.648 0.250
Mg 0.352 0.930 0.750
Mg 0.930 0.352 0.750
Mg 0.648 0.070 0.250
H 0.354 0.867 0.250
H 0.133 0.646 0.750
H 0.646 0.133 0.750
H 0.867 0.354 0.250
H 0.280 0.280 0.014
H 0.720 0.720 0.986
H 0.280 0.280 0.486
H 0.720 0.720 0.514
Ru 0.131 0.131 0.250
Ru 0.869 0.869 0.750 |
Below is a description of a material. | The chemical formula is: YbAlCu4.
The XRD pattern shows main peaks at: 20.0°(0.11), 29.9°(0.85), 34.9°(0.28), 40.5°(0.5), 41.7°(1.0), 45.0°(0.25), 58.2°(0.12), 59.5°(0.22), 62.1°(0.29), 67.2°(0.22), 73.7°(0.18), 80.7°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-100782 | 5.14 5.14 4.03
90 90 120
Yb 0.000 0.000 0.000
Al 0.333 0.667 0.000
Cu 0.667 0.333 0.000
Cu 0.998 0.499 0.500
Cu 0.501 0.499 0.500
Cu 0.501 0.002 0.500 |
Below is a description of a material. | The chemical formula is: LiMnPO4.
The XRD pattern shows main peaks at: 21.9°(1.0), 35.5°(0.63), 40.5°(0.1), 43.6°(0.22), 53.7°(0.11), 56.2°(0.12), 62.6°(0.15), 66.1°(0.12), 71.6°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-47105 | 4.83 5.08 4.83
61 90 118
Li 0.500 0.000 0.500
Mn 0.000 0.000 0.000
P 0.750 0.500 0.750
O 0.452 0.264 0.061
O 0.675 0.736 0.452
O 0.813 0.264 0.675
O 0.061 0.736 0.813 |
Below is a description of a material. | The chemical formula is: BaZnO.
The XRD pattern shows main peaks at: 11.8°(0.09), 19.4°(1.0), 22.8°(0.09), 23.8°(0.2), 27.5°(0.42), 30.9°(0.43), 36.7°(0.27), 39.3°(0.16), 41.3°(0.07), 44.2°(0.23), 46.0°(0.07), 46.5°(0.14), 50.8°(0.21), 52.9°(0.09), 56.9°(0.12), 62.5°(0.06), 64.3°(0.12), 67.9°(0.09), 69.6°(0.09), 79.7°(... | JVASP-117616 | 4.58 4.58 7.47
90 90 90
Ba 0.000 0.000 0.295
Zn 0.000 0.000 0.754
O 0.000 0.000 -0.001 |
Below is a description of a material. | The chemical formula is: SiRh.
The XRD pattern shows main peaks at: 26.6°(0.37), 32.8°(0.26), 38.0°(0.13), 42.7°(1.0), 47.0°(0.41), 58.5°(0.1), 62.0°(0.1), 65.4°(0.09), 68.7°(0.06), 71.9°(0.09), 75.1°(0.32), 81.3°(0.06), 84.4°(0.09), 87.4°(0.05).
Generate atomic structure description with lattice lengths, angles, coord... | JVASP-188642 | 4.73 4.73 4.73
90 90 90
Rh 0.154 0.154 0.154
Rh 0.346 0.846 0.654
Rh 0.846 0.654 0.346
Rh 0.654 0.346 0.846
Si 0.841 0.841 0.841
Si 0.659 0.159 0.341
Si 0.159 0.341 0.659
Si 0.341 0.659 0.159 |
Below is a description of a material. | The chemical formula is: CdSe2.
The XRD pattern shows main peaks at: 13.6°(0.26), 30.3°(1.0), 31.3°(0.51), 34.2°(0.05), 41.7°(0.17), 44.1°(0.73), 45.1°(0.19), 53.0°(0.16), 55.9°(0.2), 63.1°(0.09), 65.2°(0.06), 66.2°(0.06), 72.1°(0.13), 73.6°(0.16), 74.1°(0.07), 77.8°(0.06), 82.6°(0.12), 83.7°(0.06).
Generate atomic str... | JVASP-134501 | 6.80 2.86 4.02
90 72 90
Cd 0.072 0.000 0.411
Se -0.220 0.000 0.057
Se 0.365 0.000 -0.236 |
Below is a description of a material. | The chemical formula is: SbN9.
The XRD pattern shows main peaks at: 13.5°(1.0), 15.1°(0.4), 17.0°(0.76), 25.0°(0.38), 26.9°(0.74), 28.5°(0.95), 30.4°(0.85), 34.3°(0.2), 37.3°(0.38), 39.7°(0.29), 44.0°(0.2), 45.2°(0.37), 54.3°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and ato... | JVASP-32348 | 7.73 7.73 7.73
54 54 54
Sb 0.693 0.693 0.693
Sb 0.307 0.307 0.307
N 0.166 0.855 0.346
N 0.145 0.654 0.834
N 0.654 0.834 0.145
N 0.834 0.145 0.654
N 0.743 0.243 0.263
N 0.243 0.263 0.743
N 0.263 0.743 0.243
N 0.257 0.757 0.737
N 0.757 0.737 0.257
N 0.737 0.257 0.757
N 0.624 0.131 0.368
N 0.131 0.368 0.624
N 0.368 0.624 ... |
Below is a description of a material. | The chemical formula is: BaW.
The XRD pattern shows main peaks at: 33.4°(1.0), 47.9°(0.19), 59.6°(0.37), 70.1°(0.12), 79.9°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-128937 | 3.80 3.80 3.80
90 90 90
Ba 0.500 0.500 0.500
W 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: MgTlF.
The XRD pattern shows main peaks at: 21.2°(1.0), 28.2°(0.35), 35.6°(0.57), 37.2°(0.49), 43.2°(0.16), 47.3°(0.46), 52.4°(0.19), 58.3°(0.18), 62.8°(0.12), 66.0°(0.19), 67.1°(0.09), 71.2°(0.13), 74.3°(0.13), 75.3°(0.07), 86.2°(0.09).
Generate atomic structure description with lattice length... | JVASP-134778 | 4.83 4.83 3.16
90 90 120
Mg 0.333 0.667 0.000
Tl 0.667 0.333 0.000
F 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: TiMn2Sn.
The XRD pattern shows main peaks at: 25.2°(0.17), 29.2°(0.05), 41.8°(1.0), 49.4°(0.1), 60.6°(0.15), 76.3°(0.31).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-183302 | 4.32 4.32 4.32
60 60 60
Ti 0.000 0.000 0.000
Mn 0.750 0.750 0.750
Mn 0.250 0.250 0.250
Sn 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: CuSe.
The XRD pattern shows main peaks at: 26.0°(0.31), 27.5°(1.0), 29.8°(0.3), 45.0°(0.91), 53.5°(0.15), 72.4°(0.12), 83.0°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-57773 | 4.03 4.03 17.52
90 90 120
Cu 0.333 0.667 0.250
Cu 0.667 0.333 0.750
Cu 0.333 0.667 0.893
Cu 0.667 0.333 0.393
Cu 0.667 0.333 0.107
Cu 0.333 0.667 0.607
Se 0.333 0.667 0.750
Se 0.667 0.333 0.250
Se 0.000 0.000 0.931
Se 0.000 0.000 0.431
Se 0.000 0.000 0.069
Se 0.000 0.000 0.569 |
Below is a description of a material. | The chemical formula is: TiVGa2.
The XRD pattern shows main peaks at: 40.2°(1.0), 45.3°(0.19), 47.4°(0.32), 67.7°(0.19), 69.3°(0.1), 80.1°(0.12), 83.2°(0.21), 86.7°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-192455 | 4.00 3.83 3.83
90 90 90
Ti 0.500 0.500 0.500
Ga -0.000 0.000 0.500
Ga -0.000 0.500 0.000
V 0.500 0.000 0.000 |
Below is a description of a material. | The chemical formula is: TlPS.
The XRD pattern shows main peaks at: 13.7°(1.0), 18.6°(0.52), 19.4°(0.44), 23.2°(0.62), 27.0°(0.41), 27.5°(0.25), 30.9°(0.36), 33.5°(0.3), 36.3°(0.48), 39.3°(0.1), 40.4°(0.14), 41.8°(0.1), 42.8°(0.12), 43.9°(0.15), 46.2°(0.16), 47.4°(0.12), 48.4°(0.16), 49.6°(0.18), 54.6°(0.14), 62.2°(0.0... | JVASP-115370 | 6.48 6.48 4.76
90 90 90
Tl -0.013 0.353 0.000
P -0.050 -0.067 0.000
S 0.305 -0.014 0.000 |
Below is a description of a material. | The chemical formula is: Ca3Sn.
The XRD pattern shows main peaks at: 17.9°(0.28), 25.4°(0.26), 31.2°(1.0), 36.2°(0.52), 40.7°(0.16), 44.8°(0.11), 52.2°(0.32), 55.6°(0.09), 58.9°(0.06), 62.1°(0.38), 65.1°(0.11), 71.1°(0.07), 76.9°(0.05), 79.7°(0.06), 85.3°(0.17), 88.1°(0.15).
Generate atomic structure description with l... | JVASP-129895 | 4.96 4.96 4.96
90 90 90
Ca 0.000 0.500 0.500
Ca 0.500 0.000 0.500
Ca 0.500 0.500 0.000
Sn 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: NaVS2.
The XRD pattern shows main peaks at: 13.6°(0.35), 34.3°(1.0), 43.7°(0.11), 47.5°(0.3), 51.0°(0.3), 60.2°(0.06), 62.9°(0.14), 72.3°(0.07), 85.2°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-15935 | 6.81 6.81 6.81
30 30 30
Na 0.500 0.500 0.500
V 0.000 0.000 0.000
S 0.265 0.265 0.265
S 0.735 0.735 0.735 |
Below is a description of a material. | The chemical formula is: RbMoO3.
The XRD pattern shows main peaks at: 31.7°(1.0), 45.5°(0.34), 56.5°(0.39), 66.3°(0.2), 75.3°(0.16), 84.1°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-92484 | 3.99 3.99 3.99
90 90 90
Rb 0.500 0.500 0.500
Mo 0.000 0.000 0.000
O 0.500 0.000 0.000
O 0.000 0.500 0.000
O 0.000 0.000 0.500 |
Below is a description of a material. | The chemical formula is: Rb2VF4.
The XRD pattern shows main peaks at: 12.8°(0.07), 25.8°(0.09), 28.8°(1.0), 30.3°(0.76), 39.1°(0.3), 40.2°(0.36), 43.3°(0.5), 50.2°(0.22), 51.1°(0.06), 52.9°(0.44), 59.8°(0.22), 62.9°(0.14), 70.7°(0.15), 71.4°(0.12), 76.6°(0.05).
Generate atomic structure description with lattice lengths... | JVASP-155189 | 4.18 4.18 7.52
106 106 90
Rb 0.647 0.647 0.295
Rb 0.353 0.353 0.705
V 0.000 0.000 0.000
F 0.500 -0.000 -0.000
F -0.000 0.500 -0.000
F 0.151 0.151 0.303
F 0.849 0.849 0.697 |
Below is a description of a material. | The chemical formula is: ZnBi3.
The XRD pattern shows main peaks at: 18.2°(0.11), 25.8°(0.1), 31.8°(1.0), 36.8°(0.54), 41.4°(0.06), 53.1°(0.39), 63.2°(0.47), 66.3°(0.12), 78.4°(0.06), 87.0°(0.21).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-104995 | 4.88 4.88 4.88
90 90 90
Zn 0.000 0.000 0.000
Bi 0.000 0.500 0.500
Bi 0.500 0.000 0.500
Bi 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: SrAlF.
The XRD pattern shows main peaks at: 19.7°(0.89), 25.1°(0.75), 32.1°(0.59), 34.5°(0.98), 40.1°(0.16), 43.1°(1.0), 47.9°(0.18), 51.4°(0.1), 55.6°(0.13), 61.9°(0.18), 63.4°(0.32), 67.8°(0.25), 72.8°(0.1), 78.4°(0.18), 84.6°(0.13).
Generate atomic structure description with lattice lengths,... | JVASP-139158 | 5.19 5.19 3.55
90 90 120
Sr 0.667 0.333 0.000
Al 0.000 0.000 0.000
F 0.333 0.667 0.000 |
Below is a description of a material. | The chemical formula is: Ba4VRe.
The XRD pattern shows main peaks at: 16.1°(0.16), 18.6°(0.08), 26.4°(0.22), 31.1°(1.0), 32.5°(0.47), 37.7°(0.07), 46.6°(0.1), 49.6°(0.36), 54.4°(0.3), 63.9°(0.12), 64.8°(0.19), 76.7°(0.23), 80.5°(0.05), 88.7°(0.07).
Generate atomic structure description with lattice lengths, angles, coo... | JVASP-66112 | 6.75 6.75 6.75
60 60 60
Ba 0.126 0.625 0.625
Ba 0.625 0.625 0.625
Ba 0.625 0.126 0.625
Ba 0.625 0.625 0.126
V 0.000 0.000 0.000
Re 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: SrCu2O3.
The XRD pattern shows main peaks at: 25.4°(0.25), 29.8°(0.74), 32.3°(0.76), 35.0°(1.0), 40.4°(0.33), 45.6°(0.33), 47.1°(0.28), 52.2°(0.2), 52.6°(0.25), 55.4°(0.23), 62.6°(0.3), 66.8°(0.15), 67.6°(0.18), 70.3°(0.06), 71.8°(0.15), 72.9°(0.13), 75.9°(0.07), 77.4°(0.09), 78.0°(0.06), 87.3°... | JVASP-15660 | 3.51 3.98 6.13
108 90 90
Sr 0.500 0.000 0.000
Cu 0.000 0.335 0.670
Cu 0.000 0.665 0.330
O 0.000 0.830 0.660
O 0.000 0.170 0.340
O 0.000 0.500 -0.000 |
Below is a description of a material. | The chemical formula is: LiFe2As2.
The XRD pattern shows main peaks at: 17.5°(0.91), 24.6°(1.0), 35.2°(0.6), 37.3°(0.43), 46.8°(0.7), 48.9°(1.0), 50.3°(0.19), 50.9°(0.12), 53.6°(0.22), 59.9°(0.27), 64.9°(0.13), 68.3°(0.2), 69.3°(0.08), 71.6°(0.1), 75.1°(0.07), 79.3°(0.06), 80.5°(0.08), 87.9°(0.08), 88.5°(0.39).
Generat... | JVASP-183502 | 5.76 5.76 5.76
140 140 56
Li 0.000 0.000 -0.000
Fe 0.250 0.750 0.500
Fe 0.750 0.250 0.500
As 0.630 0.630 0.000
As 0.370 0.370 -0.000 |
Below is a description of a material. | The chemical formula is: ErAl.
The XRD pattern shows main peaks at: 17.2°(0.25), 22.0°(0.38), 22.5°(0.13), 23.6°(0.19), 27.3°(0.4), 32.2°(0.49), 32.6°(1.0), 34.8°(0.1), 35.9°(0.95), 36.8°(0.13), 39.4°(0.34), 48.6°(0.1), 49.9°(0.09), 54.1°(0.16), 56.0°(0.11), 57.8°(0.22), 59.8°(0.23), 60.7°(0.1), 61.9°(0.16), 73.8°(0.12... | JVASP-154465 | 5.55 5.79 11.29
90 90 90
Er 0.750 0.160 0.983
Er 0.250 0.840 0.017
Er 0.750 0.840 0.483
Er 0.250 0.160 0.517
Er 0.750 0.397 0.669
Er 0.250 0.603 0.331
Er 0.750 0.603 0.169
Er 0.250 0.397 0.831
Al 0.000 0.930 0.750
Al 0.500 0.070 0.250
Al 0.000 0.070 0.250
Al 0.500 0.930 0.750
Al 0.750 0.658 0.903
Al 0.250 0.342 0.097
A... |
Below is a description of a material. | The chemical formula is: RbGeS.
The XRD pattern shows main peaks at: 18.8°(0.22), 27.1°(0.54), 32.9°(1.0), 43.1°(0.94), 55.8°(0.07), 58.8°(0.19), 65.9°(0.26), 66.3°(0.25), 69.1°(0.11), 75.7°(0.16), 85.4°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-116119 | 5.44 5.44 3.30
90 90 120
Rb 0.333 0.667 0.000
Ge 0.000 0.000 0.000
S 0.667 0.333 0.000 |
Below is a description of a material. | The chemical formula is: Li3Co2O5.
The XRD pattern shows main peaks at: 8.8°(0.25), 15.7°(0.08), 17.0°(0.07), 17.7°(0.06), 19.0°(1.0), 22.1°(0.06), 37.2°(0.37), 38.9°(0.1), 45.2°(0.83), 49.4°(0.11), 59.7°(0.1), 65.6°(0.21), 66.0°(0.15), 69.4°(0.09).
Generate atomic structure description with lattice lengths, angles, co... | JVASP-144448 | 2.83 5.70 10.22
97 97 89
Li 0.909 0.212 0.817
Li 0.500 -0.000 0.000
Li 0.301 0.399 0.602
Li 0.699 0.601 0.398
Li 0.091 0.788 0.183
Li 0.500 0.500 -0.000
Co 0.700 0.100 0.400
Co 0.300 0.900 0.600
Co 0.903 0.694 0.805
Co 0.097 0.306 0.195
O 0.205 0.875 0.409
O 0.395 0.923 0.789
O 0.993 0.748 0.985
O 0.795 0.125 0.591
O 0... |
Below is a description of a material. | The chemical formula is: BHPb2O4.
The XRD pattern shows main peaks at: 13.4°(0.47), 15.2°(0.31), 24.6°(0.41), 26.1°(0.78), 28.0°(0.72), 29.1°(1.0), 30.7°(0.26), 31.4°(0.59), 36.9°(0.17), 38.4°(0.2), 38.8°(0.14), 40.3°(0.29), 42.6°(0.17), 44.5°(0.23), 48.1°(0.18), 49.2°(0.19), 49.9°(0.21), 50.7°(0.17), 53.8°(0.25), 54.5... | JVASP-112273 | 7.06 7.06 7.39
65 65 47
B 0.329 0.329 0.656
B 0.671 0.671 0.344
H 0.460 0.460 0.377
H 0.540 0.540 0.623
Pb 0.053 0.053 0.732
Pb 0.947 0.947 0.268
Pb 0.659 0.659 0.921
Pb 0.341 0.341 0.079
O 0.408 0.408 0.732
O 0.592 0.592 0.268
O 0.371 0.371 0.443
O 0.629 0.629 0.557
O 0.213 0.213 0.782
O 0.787 0.787 0.218
O 0.745 0.25... |
Below is a description of a material. | The chemical formula is: HoAu2.
The XRD pattern shows main peaks at: 34.1°(0.7), 38.5°(1.0), 49.0°(0.25), 61.7°(0.06), 64.0°(0.45), 71.9°(0.08), 72.5°(0.16), 82.0°(0.12), 82.6°(0.12), 84.6°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-19931 | 3.72 3.72 5.22
110 110 90
Ho 0.000 0.000 0.000
Au 0.664 0.664 0.329
Au 0.336 0.336 0.671 |
Below is a description of a material. | The chemical formula is: PaTe.
The XRD pattern shows main peaks at: 19.9°(0.07), 28.0°(0.1), 30.3°(1.0), 38.4°(0.54), 40.4°(0.15), 48.0°(0.29), 57.8°(0.16), 62.3°(0.13), 63.1°(0.12), 64.5°(0.24), 76.9°(0.07), 78.4°(0.13), 82.3°(0.06), 83.0°(0.12).
Generate atomic structure description with lattice lengths, angles, coor... | JVASP-156695 | 4.97 4.97 4.97
44 44 44
Pa 0.000 0.000 0.000
Te 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: PmMgRh.
The XRD pattern shows main peaks at: 23.2°(0.82), 26.9°(0.07), 38.4°(1.0), 45.3°(0.39), 55.4°(0.17), 60.9°(0.17), 69.4°(0.35), 74.3°(0.13), 82.2°(0.11), 86.9°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-160489 | 4.69 4.69 4.69
60 60 60
Pm 0.750 0.750 0.750
Mg 0.250 0.250 0.250
Rh 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Mn3Al.
The XRD pattern shows main peaks at: 27.1°(0.06), 45.0°(1.0), 65.6°(0.16), 83.1°(0.31).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-62276 | 4.03 4.03 4.03
60 60 60
Mn 0.000 0.000 0.000
Mn 0.500 0.500 0.500
Mn 0.250 0.250 0.250
Al 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: LiEr2Rh.
The XRD pattern shows main peaks at: 22.4°(0.13), 26.0°(0.31), 37.0°(1.0), 43.7°(0.07), 45.8°(0.1), 53.4°(0.19), 60.3°(0.13), 66.8°(0.36), 78.9°(0.12), 84.7°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-41944 | 4.85 4.85 4.85
60 60 60
Li 0.250 0.250 0.250
Er 0.000 0.000 0.000
Er 0.500 0.500 0.500
Rh 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: ThSi2Rh2.
The XRD pattern shows main peaks at: 23.2°(0.43), 34.2°(0.34), 35.4°(1.0), 43.8°(0.28), 50.0°(0.14), 56.7°(0.16), 57.4°(0.16), 63.5°(0.2), 74.9°(0.26).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-93271 | 4.14 4.14 5.86
110 110 90
Th 0.000 0.000 0.000
Si 0.622 0.622 0.244
Si 0.378 0.378 0.756
Rh 0.250 0.750 0.500
Rh 0.750 0.250 0.500 |
Below is a description of a material. | The chemical formula is: Sr3Sn.
The XRD pattern shows main peaks at: 29.2°(1.0), 33.6°(0.34), 34.1°(0.18), 48.6°(0.25), 57.4°(0.31), 58.0°(0.16), 60.4°(0.13), 78.3°(0.07), 78.8°(0.13), 80.7°(0.07), 81.6°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-185532 | 5.33 5.33 6.47
114 114 90
Sr 0.250 0.750 0.500
Sr 0.750 0.250 0.500
Sr 0.500 0.500 0.000
Sn 0.000 -0.000 0.000 |
Below is a description of a material. | The chemical formula is: YMg2Si2.
The XRD pattern shows main peaks at: 15.3°(0.22), 22.6°(0.22), 30.2°(0.27), 30.9°(0.11), 31.6°(0.55), 34.0°(1.0), 43.2°(0.4), 44.8°(0.39), 46.1°(0.05), 49.3°(0.06), 54.5°(0.25), 57.0°(0.09), 60.2°(0.08), 62.8°(0.13), 64.0°(0.27), 73.4°(0.19), 77.0°(0.07), 80.4°(0.07), 80.8°(0.08), 87.8... | JVASP-155731 | 6.50 6.50 6.50
142 142 54
Y 0.000 0.000 0.000
Mg 0.750 0.250 0.500
Mg 0.250 0.750 0.500
Si 0.398 0.398 0.000
Si 0.602 0.602 -0.000 |
Below is a description of a material. | The chemical formula is: SrBeCl.
The XRD pattern shows main peaks at: 14.0°(1.0), 25.0°(0.43), 28.1°(0.05), 32.1°(0.89), 34.2°(0.44), 37.1°(0.38), 43.2°(0.39), 44.8°(0.07), 49.1°(0.15), 51.3°(0.15), 55.9°(0.17), 56.5°(0.08), 59.9°(0.26), 67.4°(0.19), 69.2°(0.1), 78.1°(0.06), 79.5°(0.07), 81.0°(0.06), 82.1°(0.06), 83.8°... | JVASP-67162 | 6.87 6.87 6.87
148 148 44
Sr 0.678 0.678 0.000
Be 0.028 0.028 0.000
Cl 0.294 0.294 -0.000 |
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