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: YbPO4.
The XRD pattern shows main peaks at: 19.9°(0.52), 30.5°(1.0), 31.8°(0.18), 37.0°(0.22), 42.4°(0.17), 44.4°(0.13), 48.4°(0.13), 49.6°(0.27), 53.3°(0.09), 55.9°(0.16), 62.7°(0.24), 63.4°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-4792 | 4.86 4.86 6.59
111 111 90
Yb 0.375 0.125 0.750
Yb 0.625 0.875 0.250
P 0.875 0.625 0.750
P 0.125 0.375 0.250
O 0.705 0.585 0.898
O 0.313 0.205 0.398
O 0.085 0.692 0.398
O 0.192 0.813 0.898
O 0.808 0.187 0.102
O 0.915 0.308 0.602
O 0.687 0.795 0.602
O 0.295 0.415 0.102 |
Below is a description of a material. | The chemical formula is: Al2CoN3.
The XRD pattern shows main peaks at: 18.6°(0.27), 26.1°(0.35), 32.7°(0.87), 33.2°(0.3), 36.2°(0.73), 37.5°(1.0), 37.9°(0.57), 41.0°(0.07), 42.6°(0.14), 49.6°(0.32), 58.0°(0.23), 59.0°(0.44), 66.0°(0.42), 70.4°(0.17), 71.2°(0.35), 72.6°(0.05).
Generate atomic structure description with ... | JVASP-140914 | 5.48 5.40 4.96
89 90 119
Al 0.337 0.332 0.492
Al 0.663 0.996 0.492
Al 0.663 0.668 0.992
Al 0.337 0.004 0.992
Co 0.000 0.655 0.491
Co 0.000 0.345 0.991
N 0.341 0.338 0.873
N 0.659 0.997 0.873
N 0.659 0.662 0.373
N 0.341 0.003 0.373
N 0.000 0.678 0.868
N 0.000 0.322 0.368 |
Below is a description of a material. | The chemical formula is: AcF3.
The XRD pattern shows main peaks at: 25.7°(1.0), 29.7°(0.5), 42.6°(0.72), 50.4°(0.5), 52.8°(0.15), 61.8°(0.12), 68.0°(0.22), 70.0°(0.2), 77.9°(0.25), 83.6°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-38763 | 4.25 4.25 4.25
60 60 60
Ac 0.750 0.750 0.750
F 0.000 0.000 0.000
F 0.500 0.500 0.500
F 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: Nb3AuN.
The XRD pattern shows main peaks at: 20.8°(0.09), 29.5°(0.14), 36.4°(1.0), 42.3°(0.53), 52.4°(0.06), 61.3°(0.35), 73.4°(0.35), 77.3°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-188041 | 4.28 4.28 4.28
90 90 90
Nb 0.000 0.500 0.000
Nb 0.000 0.000 0.500
Nb 0.500 0.000 0.000
Au 0.500 0.500 0.500
N 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: BeCrNi2.
The XRD pattern shows main peaks at: 24.7°(0.08), 28.7°(0.34), 36.9°(0.06), 44.9°(1.0), 46.0°(0.09), 50.6°(0.17), 53.2°(0.29), 61.6°(0.07), 76.5°(0.17), 78.6°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-68134 | 4.35 4.35 4.35
133 133 68
Be 0.500 0.500 0.000
Cr 0.750 0.250 0.500
Ni 0.000 0.000 0.000
Ni 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: BaCuO2.
The XRD pattern shows main peaks at: 14.8°(0.07), 21.2°(0.08), 24.2°(0.06), 29.9°(0.33), 30.3°(0.36), 32.3°(1.0), 39.1°(0.08), 41.8°(0.06), 43.1°(0.33), 49.5°(0.12), 55.1°(0.2), 59.1°(0.11), 63.1°(0.05), 67.7°(0.15), 81.7°(0.07), 88.6°(0.06).
Generate atomic structure description with l... | JVASP-30180 | 5.90 11.96 3.68
90 90 90
Ba 0.000 0.888 0.501
Ba 0.500 0.613 0.499
Ba 0.500 0.113 0.501
Ba -0.000 0.388 0.499
Cu 0.000 0.118 0.001
Cu 0.500 0.383 -0.001
Cu 0.500 0.883 0.001
Cu -0.000 0.618 0.999
O -0.000 0.665 0.499
O 0.000 0.165 0.501
O 0.250 0.500 0.999
O 0.250 0.000 0.001
O 0.500 0.836 0.501
O 0.500 0.336 0.499
O 0... |
Below is a description of a material. | The chemical formula is: TiPdH.
The XRD pattern shows main peaks at: 20.7°(0.17), 33.8°(0.4), 39.9°(1.0), 42.1°(0.19), 55.0°(0.2), 60.4°(0.18), 64.6°(0.05), 74.9°(0.15), 75.4°(0.15), 76.4°(0.19), 86.2°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-180518 | 3.06 3.06 4.30
90 90 119
Ti 0.667 0.333 0.500
Pd 0.000 0.000 -0.000
H 0.333 0.667 0.500 |
Below is a description of a material. | The chemical formula is: LiPN.
The XRD pattern shows main peaks at: 27.1°(0.75), 28.3°(1.0), 39.6°(0.47), 47.9°(0.62), 55.9°(0.08), 56.6°(0.71), 58.6°(0.1), 63.9°(0.11), 65.8°(0.1), 79.0°(0.25), 89.4°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-139349 | 3.80 3.80 3.15
90 90 120
Li 0.000 0.000 0.000
P 0.667 0.333 0.000
N 0.333 0.667 0.000 |
Below is a description of a material. | The chemical formula is: ZrCoP2.
The XRD pattern shows main peaks at: 16.8°(0.08), 31.2°(0.62), 34.0°(0.28), 37.2°(1.0), 43.4°(0.61), 51.3°(0.34), 53.6°(0.32), 59.1°(0.06), 63.3°(0.14), 65.0°(0.15), 65.7°(0.07), 71.3°(0.28), 77.7°(0.17), 79.3°(0.09), 89.1°(0.07).
Generate atomic structure description with lattice lengt... | JVASP-183957 | 3.42 3.42 5.27
90 90 90
Zr 0.500 0.500 0.579
Co 0.000 0.000 0.962
P 0.000 0.000 0.405
P 0.500 0.500 0.064 |
Below is a description of a material. | The chemical formula is: CaZnSn.
The XRD pattern shows main peaks at: 21.9°(0.45), 24.9°(0.17), 31.5°(1.0), 39.1°(0.78), 44.7°(0.18), 45.3°(0.45), 51.1°(0.23), 60.9°(0.43), 66.2°(0.21), 70.9°(0.14), 75.2°(0.1), 84.1°(0.09), 87.8°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-93753 | 4.60 4.60 8.10
90 90 120
Ca 0.000 0.000 0.500
Ca 0.000 0.000 0.000
Zn 0.667 0.333 0.250
Zn 0.333 0.667 0.750
Sn 0.667 0.333 0.750
Sn 0.333 0.667 0.250 |
Below is a description of a material. | The chemical formula is: CeGaAg.
The XRD pattern shows main peaks at: 22.0°(0.08), 31.9°(0.1), 33.6°(1.0), 38.7°(0.49), 39.6°(0.07), 51.4°(0.07), 52.0°(0.19), 66.1°(0.13), 69.8°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-176078 | 4.68 5.85 5.85
74 66 66
Ce 0.940 0.560 0.560
Ce 0.990 0.010 0.010
Ga 0.298 0.001 0.402
Ga 0.298 0.402 0.001
Ag 0.630 0.591 0.149
Ag 0.630 0.149 0.591 |
Below is a description of a material. | The chemical formula is: YMgBe2.
The XRD pattern shows main peaks at: 19.4°(0.71), 26.3°(0.41), 27.5°(0.79), 32.8°(0.38), 38.4°(1.0), 39.3°(0.46), 44.2°(0.17), 47.9°(0.35), 52.1°(0.2), 54.0°(0.09), 56.8°(0.15), 57.9°(0.07), 61.7°(0.16), 63.6°(0.14), 64.3°(0.13), 68.8°(0.16), 70.7°(0.3), 72.3°(0.07), 82.3°(0.09), 88.8°(... | JVASP-71222 | 4.58 4.58 3.39
90 90 90
Y 0.000 0.000 0.500
Mg 0.500 0.500 0.500
Be 0.500 0.000 0.000
Be 0.000 0.500 0.000 |
Below is a description of a material. | The chemical formula is: Re2O7.
The XRD pattern shows main peaks at: 21.3°(0.53), 24.4°(1.0), 28.8°(0.3), 33.3°(0.16), 34.5°(0.11), 36.1°(0.34), 39.9°(0.11), 40.9°(0.13), 43.4°(0.07), 48.7°(0.17), 53.7°(0.19), 54.4°(0.11), 55.3°(0.19), 56.0°(0.09), 61.3°(0.08), 62.8°(0.09), 67.3°(0.07), 76.1°(0.07).
Generate atomic str... | JVASP-9533 | 5.20 5.38 8.74
90 107 90
Re 0.630 0.250 0.771
Re 0.859 0.250 0.229
Re 0.370 0.750 0.229
Re 0.141 0.750 0.771
O 0.163 0.750 -0.000
O 0.837 0.250 0.000
O 0.129 0.000 0.259
O 0.871 0.500 0.741
O 0.414 0.000 0.828
O 0.586 0.500 0.172
O 0.414 0.500 0.828
O 0.871 0.000 0.741
O 0.431 0.250 0.572
O 0.859 0.250 0.428
O 0.569 0.... |
Below is a description of a material. | The chemical formula is: RbLaSiC4N8.
The XRD pattern shows main peaks at: 14.8°(0.59), 16.7°(0.83), 21.0°(0.63), 27.0°(0.78), 29.9°(0.72), 30.2°(1.0), 34.4°(0.3), 40.7°(0.21), 41.1°(0.22), 43.0°(0.8), 48.1°(0.23).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-86093 | 6.82 6.88 6.88
75 60 60
Rb 0.000 -0.000 0.000
La 0.750 0.500 0.500
Si 0.250 0.500 0.500
C 0.558 0.083 0.544
C 0.897 0.544 0.917
C 0.359 0.456 0.083
C 0.185 0.917 0.456
N 0.517 0.390 0.898
N 0.995 0.470 0.723
N 0.283 0.723 0.530
N 0.536 0.277 0.470
N 0.093 0.102 0.390
N 0.585 0.898 0.610
N 0.187 0.530 0.277
N 0.805 0.61... |
Below is a description of a material. | The chemical formula is: MnSnPt.
The XRD pattern shows main peaks at: 25.3°(0.16), 29.3°(0.64), 41.9°(1.0), 51.9°(0.2), 60.7°(0.18), 68.8°(0.26), 76.4°(0.35).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-78684 | 4.32 4.32 4.32
60 60 60
Mn 0.250 0.250 0.250
Sn 0.000 0.000 0.000
Pt 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: LiBeH.
The XRD pattern shows main peaks at: 17.1°(0.12), 34.4°(1.0), 49.6°(0.48), 53.0°(0.05), 61.8°(0.18), 64.7°(0.1), 72.6°(0.09), 75.4°(0.07), 82.9°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-134046 | 2.61 2.61 5.18
90 90 90
Li 0.000 0.000 0.698
Be 0.000 0.000 0.271
H 0.000 0.000 0.008 |
Below is a description of a material. | The chemical formula is: ZrBeTe.
The XRD pattern shows main peaks at: 16.5°(0.09), 28.3°(0.25), 32.9°(1.0), 33.3°(0.16), 44.3°(0.24), 50.1°(0.22), 59.3°(0.13), 61.3°(0.18), 69.1°(0.06), 74.2°(0.06), 77.1°(0.07), 83.0°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-72531 | 3.64 3.64 5.38
90 90 119
Zr 0.667 0.333 0.308
Be 0.000 0.000 0.968
Te 0.333 0.667 0.724 |
Below is a description of a material. | The chemical formula is: Y4PS3.
The XRD pattern shows main peaks at: 27.8°(0.43), 32.2°(1.0), 46.2°(0.69), 54.8°(0.19), 57.4°(0.23), 67.4°(0.11), 74.4°(0.08), 76.7°(0.28), 85.6°(0.23).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-190984 | 5.56 5.56 5.56
90 90 90
Y 0.500 0.000 0.000
Y 0.000 0.500 0.000
Y 0.000 0.000 0.500
Y 0.500 0.500 0.500
P 0.000 0.000 0.000
S 0.000 0.500 0.500
S 0.500 0.000 0.500
S 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: ZrTi2O.
The XRD pattern shows main peaks at: 21.1°(0.22), 21.8°(0.11), 36.6°(0.9), 37.0°(1.0), 37.5°(0.95), 38.7°(0.57), 43.1°(0.05), 53.0°(0.21), 54.3°(0.52), 61.2°(0.15), 66.8°(0.3), 67.6°(0.21), 69.0°(0.16), 74.0°(0.23), 74.8°(0.15), 80.0°(0.12), 83.1°(0.06).
Generate atomic structure descri... | JVASP-105332 | 4.80 4.80 3.03
90 90 122
Zr 0.000 0.000 0.000
Ti 0.673 0.327 0.500
Ti 0.327 0.673 0.500
O 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: SrCaMn2O6.
The XRD pattern shows main peaks at: 16.7°(0.22), 33.2°(0.99), 33.4°(0.98), 33.8°(1.0), 38.1°(0.09), 41.3°(0.26), 47.0°(0.41), 48.1°(0.35), 48.9°(0.34), 59.2°(0.35), 59.9°(0.35), 60.3°(0.36), 69.6°(0.22), 70.2°(0.2), 71.0°(0.18), 78.5°(0.07), 80.5°(0.08), 81.6°(0.09).
Generate atomic... | JVASP-116647 | 6.57 6.57 6.57
69 72 109
Sr 0.500 0.000 -0.000
Sr 0.000 0.000 0.500
Ca 0.500 0.500 0.500
Ca -0.000 0.500 -0.000
Mn 0.500 -0.000 0.500
Mn 0.000 0.500 0.500
Mn 0.000 -0.000 -0.000
Mn 0.500 0.500 -0.000
O 0.750 0.296 0.454
O 0.250 0.296 0.954
O 0.039 0.789 0.250
O 0.539 0.789 0.750
O -0.039 0.211 0.750
O 0.250 0.500 0.250... |
Below is a description of a material. | The chemical formula is: HfTi2BiH.
The XRD pattern shows main peaks at: 21.1°(0.32), 29.0°(0.31), 36.1°(1.0), 41.4°(0.32), 42.9°(0.16), 46.9°(0.17), 52.6°(0.13), 60.0°(0.11), 61.2°(0.21), 64.4°(0.07), 68.0°(0.06), 72.1°(0.27), 74.2°(0.11), 76.6°(0.11), 83.9°(0.07).
Generate atomic structure description with lattice len... | JVASP-187578 | 4.36 4.36 4.22
90 90 90
H 0.000 -0.000 -0.000
Hf 0.000 -0.000 0.500
Bi 0.500 0.500 0.500
Ti 0.000 0.500 0.000
Ti 0.500 -0.000 -0.000 |
Below is a description of a material. | The chemical formula is: K2CoF6.
The XRD pattern shows main peaks at: 19.2°(1.0), 31.5°(0.75), 38.9°(0.42), 45.2°(0.74), 65.8°(0.33), 83.5°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-106669 | 5.67 5.67 5.67
60 60 60
K 0.250 0.250 0.250
K 0.750 0.750 0.750
Co 0.000 0.000 0.000
F 0.774 0.226 0.226
F 0.226 0.774 0.774
F 0.226 0.774 0.226
F 0.774 0.226 0.774
F 0.226 0.226 0.774
F 0.774 0.774 0.226 |
Below is a description of a material. | The chemical formula is: LiFeF4.
The XRD pattern shows main peaks at: 18.2°(1.0), 24.3°(0.88), 30.5°(0.92), 32.0°(0.13), 36.9°(0.14), 41.7°(0.51), 44.5°(0.17), 49.3°(0.14), 49.8°(0.4), 52.6°(0.09), 53.3°(0.67), 55.9°(0.11), 59.6°(0.06), 62.9°(0.13), 69.9°(0.11), 78.4°(0.11), 79.1°(0.2).
Generate atomic structure descri... | JVASP-133700 | 4.84 4.88 5.60
89 90 90
Li 0.253 0.500 0.250
Li 0.747 0.500 0.750
Fe 0.752 -0.000 0.250
Fe 0.248 -0.000 0.750
F -0.000 0.759 0.104
F 0.502 0.759 0.396
F 0.000 0.759 0.604
F 0.498 0.759 0.896
F 0.502 0.241 0.104
F -0.000 0.241 0.396
F 0.498 0.241 0.604
F 0.000 0.241 0.896 |
Below is a description of a material. | The chemical formula is: Sr2SnP.
The XRD pattern shows main peaks at: 19.7°(0.15), 32.5°(1.0), 38.3°(0.1), 46.6°(0.17), 58.0°(0.37), 68.1°(0.11), 77.5°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-183473 | 5.51 5.51 5.51
60 60 60
Sr 0.750 0.750 0.750
Sr 0.250 0.250 0.250
Sn -0.000 0.000 -0.000
P 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Nb6TlS8.
The XRD pattern shows main peaks at: 18.2°(0.11), 21.0°(0.69), 27.9°(0.42), 28.3°(0.47), 31.8°(0.13), 32.1°(0.17), 33.9°(0.21), 38.4°(0.54), 38.7°(1.0), 41.7°(0.18), 45.8°(0.33), 49.4°(0.35), 54.0°(0.16), 54.5°(0.1), 68.2°(0.19), 76.2°(0.19).
Generate atomic structure description with ... | JVASP-119156 | 9.76 9.76 3.40
90 90 120
Nb 0.040 0.223 0.000
Nb 0.183 0.960 0.000
Nb 0.777 0.817 0.000
Nb 0.289 0.444 0.500
Nb 0.155 0.711 0.500
Nb 0.556 0.845 0.500
Tl 0.667 0.333 0.000
S 0.319 0.275 0.000
S 0.956 0.681 0.000
S 0.725 0.044 0.000
S 0.009 0.392 0.500
S 0.383 0.991 0.500
S 0.608 0.617 0.500
S 0.333 0.667 0.000
S 0.000 ... |
Below is a description of a material. | The chemical formula is: Mg2AgPd.
The XRD pattern shows main peaks at: 13.1°(1.0), 26.4°(0.28), 36.5°(0.34), 38.9°(0.29), 39.5°(0.15), 41.8°(0.12), 45.6°(0.25), 48.1°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-80281 | 13.49 7.27 7.27
23 21 21
Mg 0.814 -0.000 0.000
Mg 0.186 0.000 -0.000
Ag 0.500 0.000 -0.000
Pd 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: GaAsO3.
The XRD pattern shows main peaks at: 33.2°(1.0), 41.0°(0.06), 47.7°(0.4), 59.4°(0.39), 69.8°(0.21), 79.5°(0.17), 88.9°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-137170 | 3.81 3.81 3.81
90 90 90
Ga 0.500 0.500 0.500
As 0.000 0.000 0.000
O 0.500 0.500 0.000
O 0.500 0.000 0.500
O 0.000 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Tb8K.
The XRD pattern shows main peaks at: 3.3°(1.0), 6.6°(0.21), 9.9°(0.07), 29.1°(0.24), 29.7°(0.2), 31.9°(0.59), 33.5°(0.69), 51.3°(0.25), 61.7°(0.08), 62.6°(0.12), 84.2°(0.07), 85.1°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-130065 | 3.56 3.56 26.89
90 90 120
Tb 0.000 0.000 0.236
Tb 0.667 0.333 0.133
Tb 0.667 0.333 0.342
Tb 0.667 0.333 0.553
Tb 0.333 0.667 0.447
Tb 0.333 0.667 0.658
Tb 0.333 0.667 0.867
Tb 0.000 0.000 0.764
K 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: ErN.
The XRD pattern shows main peaks at: 32.1°(1.0), 37.2°(0.71), 53.6°(0.44), 63.9°(0.45), 67.1°(0.16), 79.3°(0.08), 88.1°(0.19).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-1882 | 3.42 3.42 3.42
60 59 60
Er 0.000 0.000 0.000
N 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: CaTaO.
The XRD pattern shows main peaks at: 13.4°(1.0), 18.6°(0.36), 19.0°(0.28), 23.0°(0.56), 26.7°(0.23), 30.3°(0.21), 33.0°(0.23), 35.8°(0.28), 40.3°(0.12), 41.0°(0.08), 42.6°(0.07), 43.3°(0.15), 45.4°(0.12), 47.0°(0.08), 47.5°(0.17), 49.1°(0.11), 49.8°(0.08), 53.6°(0.12), 58.8°(0.1), 64.1°(... | JVASP-120954 | 6.60 6.60 4.76
90 90 90
Ca 0.329 0.001 0.000
Ta -0.009 -0.089 0.000
O 0.001 0.306 0.000 |
Below is a description of a material. | The chemical formula is: DySnRh2.
The XRD pattern shows main peaks at: 38.3°(1.0), 55.3°(0.17), 69.3°(0.37), 82.1°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-40116 | 4.70 4.70 4.70
60 60 60
Dy 0.250 0.250 0.250
Sn 0.750 0.750 0.750
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: Cr3GaN.
The XRD pattern shows main peaks at: 33.1°(0.06), 40.9°(1.0), 47.6°(0.57), 69.6°(0.31), 84.0°(0.3), 88.6°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-15120 | 3.82 3.82 3.82
90 90 90
Cr 0.500 0.000 0.500
Cr 0.000 0.500 0.500
Cr 0.500 0.500 0.000
Ga 0.000 0.000 0.000
N 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: BeOs2Pd.
The XRD pattern shows main peaks at: 22.6°(0.33), 26.5°(0.14), 34.1°(0.24), 41.3°(1.0), 46.2°(0.18), 49.0°(0.31), 54.6°(0.13), 58.6°(0.1), 69.6°(0.22), 71.8°(0.09), 82.2°(0.14), 86.4°(0.25), 89.8°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates an... | JVASP-71641 | 4.73 4.73 4.73
133 133 67
Be 0.750 0.250 0.500
Os 0.000 0.000 0.000
Os 0.500 0.500 0.000
Pd 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: HfTiBe2.
The XRD pattern shows main peaks at: 14.8°(0.78), 29.4°(1.0), 29.7°(0.46), 33.1°(0.54), 42.3°(0.94), 44.8°(0.22), 52.4°(0.41), 54.9°(0.12), 61.1°(0.14), 61.8°(0.07), 63.2°(0.09), 69.3°(0.24), 69.9°(0.17), 71.2°(0.14), 77.1°(0.32), 77.6°(0.15), 79.2°(0.06), 86.7°(0.07).
Generate atomic ... | JVASP-71531 | 3.04 3.04 6.01
90 90 90
Hf 0.500 0.500 0.000
Ti 0.500 0.500 0.500
Be 0.000 0.000 0.726
Be 0.000 0.000 0.274 |
Below is a description of a material. | The chemical formula is: LaCdO3.
The XRD pattern shows main peaks at: 30.4°(1.0), 43.5°(0.31), 54.0°(0.39), 63.2°(0.19), 71.7°(0.17), 79.8°(0.06), 87.8°(0.19).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-92483 | 4.16 4.16 4.16
90 90 90
La 0.000 0.000 0.000
Cd 0.500 0.500 0.500
O 0.500 0.500 0.000
O 0.500 0.000 0.500
O 0.000 0.500 0.500 |
Below is a description of a material. | The chemical formula is: K2SnN6.
The XRD pattern shows main peaks at: 17.5°(1.0), 20.2°(0.15), 28.8°(0.88), 33.9°(0.55), 41.1°(0.43), 45.0°(0.22), 51.0°(0.36), 54.3°(0.12), 59.6°(0.25), 67.5°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-90423 | 6.21 6.21 6.21
60 60 60
K 0.250 0.250 0.250
K 0.750 0.750 0.750
Sn 0.000 0.000 0.000
N 0.752 0.248 0.753
N 0.248 0.248 0.753
N 0.248 0.752 0.753
N 0.248 0.752 0.247
N 0.752 0.752 0.247
N 0.752 0.248 0.247 |
Below is a description of a material. | The chemical formula is: LiInRh.
The XRD pattern shows main peaks at: 24.1°(0.49), 38.8°(1.0), 42.3°(0.53), 49.3°(0.07), 58.8°(0.26), 62.3°(0.06), 67.8°(0.06), 75.0°(0.25), 77.4°(0.09), 78.2°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-183154 | 4.27 4.27 2.98
90 90 119
Li 0.333 0.667 0.500
In -0.000 -0.000 -0.000
Rh 0.667 0.333 0.500 |
Below is a description of a material. | The chemical formula is: CoPt3.
The XRD pattern shows main peaks at: 22.9°(0.13), 32.6°(0.11), 40.2°(1.0), 46.7°(0.52), 52.6°(0.06), 68.2°(0.34), 82.2°(0.41), 86.7°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-128054 | 3.89 3.89 3.89
90 90 90
Co 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: ZnCl2.
The XRD pattern shows main peaks at: 16.7°(0.54), 25.5°(1.0), 29.5°(0.64), 35.1°(0.4), 38.4°(0.36), 49.0°(0.56), 49.6°(0.16), 52.4°(0.12), 56.3°(0.2), 58.4°(0.15), 61.9°(0.15), 72.5°(0.09), 84.9°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and a... | JVASP-12129 | 3.70 3.70 10.59
90 90 90
Zn 0.750 0.250 0.250
Zn 0.250 0.750 0.750
Cl 0.250 0.250 0.379
Cl 0.750 0.750 0.621
Cl 0.750 0.750 0.121
Cl 0.250 0.250 0.879 |
Below is a description of a material. | The chemical formula is: AlFeO4.
The XRD pattern shows main peaks at: 19.9°(0.1), 26.2°(1.0), 38.9°(0.07), 40.4°(0.2), 49.7°(0.29), 57.0°(0.2), 57.4°(0.18), 65.9°(0.14), 72.9°(0.08), 79.2°(0.12), 86.8°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-180534 | 5.17 5.17 5.17
138 138 60
Al 0.750 0.250 0.500
Fe -0.000 -0.000 0.000
O 0.962 0.462 0.500
O 0.794 0.794 -0.000
O 0.538 0.038 0.500
O 0.206 0.206 -0.000 |
Below is a description of a material. | The chemical formula is: Te4Mo3S2.
The XRD pattern shows main peaks at: 12.5°(0.42), 18.3°(0.08), 21.4°(0.16), 25.2°(0.07), 30.1°(0.39), 35.8°(1.0), 39.7°(0.08), 44.3°(0.41), 53.5°(0.23), 66.0°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-34003 | 5.93 14.11 5.94
90 119 89
Te 0.643 0.112 0.669
Te 0.027 0.888 0.669
Te 0.978 0.377 0.336
Te 0.975 0.123 0.330
Te 0.355 0.877 0.330
Te 0.307 0.388 0.997
Te 0.358 0.623 0.336
Te 0.691 0.612 0.997
Mo 0.327 0.250 0.333
Mo 0.707 0.751 0.684
Mo 0.626 0.251 0.983
Mo 0.006 0.750 0.333
Mo 0.976 0.249 0.684
Mo 0.357 0.749 0.983
... |
Below is a description of a material. | The chemical formula is: ZnCu2SiS4.
The XRD pattern shows main peaks at: 18.8°(0.06), 19.9°(0.07), 27.9°(1.0), 29.0°(0.8), 30.2°(0.06), 31.5°(0.97), 34.5°(0.07), 40.6°(0.35), 49.0°(0.64), 49.6°(0.33), 52.9°(0.85), 57.1°(0.06), 58.0°(0.4), 58.4°(0.2), 59.2°(0.07), 59.8°(0.14), 65.8°(0.06), 74.8°(0.12), 75.3°(0.24), 84.1... | JVASP-154291 | 6.17 6.46 7.36
90 90 90
Zn 0.498 0.849 0.000
Zn 0.998 0.151 0.500
Cu 0.988 0.673 0.248
Cu 0.488 0.327 0.252
Cu 0.488 0.327 0.748
Cu 0.988 0.673 0.752
Si 0.999 0.170 0.000
Si 0.499 0.830 0.500
S 0.649 0.181 0.000
S 0.149 0.819 0.500
S 0.115 0.856 0.000
S 0.615 0.144 0.500
S 0.617 0.665 0.263
S 0.117 0.335 0.237
S 0.117 ... |
Below is a description of a material. | The chemical formula is: Se.
The XRD pattern shows main peaks at: 36.6°(1.0), 52.8°(0.19), 66.0°(0.39), 77.9°(0.12), 89.3°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-14602 | 3.00 3.00 3.00
109 109 109
Se 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Be2TlHg.
The XRD pattern shows main peaks at: 10.4°(0.45), 21.0°(0.21), 31.7°(1.0), 36.8°(0.4), 42.7°(0.22), 44.1°(0.09), 48.1°(0.1), 52.9°(0.2), 54.1°(0.23), 62.0°(0.07), 63.0°(0.07), 71.3°(0.28), 74.3°(0.11), 85.9°(0.11).
Generate atomic structure description with lattice lengths, angles, coo... | JVASP-69887 | 2.99 2.99 8.48
90 90 90
Be 0.000 0.000 0.104
Be 0.500 0.500 0.166
Tl 0.500 0.500 0.793
Hg 0.000 0.000 0.437 |
Below is a description of a material. | The chemical formula is: Ti3Se4.
The XRD pattern shows main peaks at: 15.7°(0.05), 26.1°(0.05), 29.6°(0.14), 31.7°(0.4), 32.3°(1.0), 33.6°(0.06), 40.0°(0.06), 40.7°(0.18), 41.8°(0.41), 49.6°(0.44), 51.4°(0.22), 53.4°(0.07), 54.1°(0.13), 54.4°(0.13), 61.5°(0.19), 67.6°(0.08), 82.3°(0.08), 84.2°(0.08).
Generate atomic st... | JVASP-94868 | 3.55 6.44 7.04
116 104 90
Ti 0.000 0.000 0.000
Ti 0.748 0.708 0.496
Ti 0.252 0.292 0.504
Se 0.633 0.964 0.265
Se 0.367 0.036 0.735
Se 0.888 0.550 0.776
Se 0.112 0.450 0.224 |
Below is a description of a material. | The chemical formula is: ThTeAs.
The XRD pattern shows main peaks at: 19.9°(0.22), 22.8°(0.53), 28.8°(0.37), 29.2°(0.63), 30.1°(0.08), 30.9°(0.37), 35.6°(1.0), 36.7°(0.9), 41.7°(0.6), 46.7°(0.11), 48.1°(0.17), 51.5°(0.15), 55.8°(0.28), 56.8°(0.52), 60.5°(0.21), 68.5°(0.11), 72.1°(0.43), 72.9°(0.13), 86.9°(0.09), 87.7°(... | JVASP-35105 | 4.33 4.33 8.90
90 90 90
Th 0.500 0.000 0.757
Th 0.000 0.500 0.243
Te 0.500 0.000 0.372
Te 0.000 0.500 0.628
As 0.500 0.500 0.000
As 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: ZrPtPb.
The XRD pattern shows main peaks at: 23.2°(0.09), 26.9°(0.48), 38.4°(1.0), 47.5°(0.14), 55.4°(0.17), 62.6°(0.17), 69.4°(0.34), 82.2°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-40822 | 4.69 4.69 4.69
60 60 60
Zr 0.250 0.250 0.250
Pt 0.500 0.500 0.500
Pb 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Mg6CrMo.
The XRD pattern shows main peaks at: 16.2°(0.4), 17.1°(0.89), 25.2°(0.13), 25.8°(0.12), 28.8°(0.14), 30.3°(0.1), 34.6°(0.62), 38.2°(0.87), 38.8°(0.49), 39.8°(1.0), 42.7°(0.16), 48.6°(0.16), 49.6°(0.1), 52.9°(0.3), 59.7°(0.15), 63.2°(0.14), 69.9°(0.14), 70.9°(0.16), 73.5°(0.15), 76.2°(0... | JVASP-92902 | 6.21 6.21 4.64
90 90 123
Mg 0.182 0.840 0.250
Mg 0.660 0.318 0.250
Mg 0.671 0.829 0.250
Mg 0.317 0.662 0.750
Mg 0.838 0.183 0.750
Mg 0.830 0.670 0.750
Cr 0.196 0.304 0.250
Mo 0.306 0.194 0.750 |
Below is a description of a material. | The chemical formula is: Rb2HBrO.
The XRD pattern shows main peaks at: 22.6°(0.29), 24.2°(0.16), 24.6°(0.1), 26.0°(0.07), 27.3°(0.43), 29.2°(1.0), 31.8°(0.18), 32.4°(0.07), 34.1°(0.19), 35.3°(0.29), 40.5°(0.4), 45.0°(0.1), 49.5°(0.19), 50.4°(0.07), 52.4°(0.09), 53.4°(0.1), 55.7°(0.09), 58.7°(0.08), 60.5°(0.08), 66.8°(0... | JVASP-12584 | 6.87 4.46 8.89
90 108 90
Rb 0.717 0.750 0.963
Rb 0.293 0.250 0.615
Rb 0.707 0.750 0.385
Rb 0.283 0.250 0.037
H 0.844 0.250 0.212
H 0.156 0.750 0.788
Br 0.822 0.250 0.698
Br 0.178 0.750 0.302
O 0.694 0.250 0.172
O 0.306 0.750 0.828 |
Below is a description of a material. | The chemical formula is: Ac2CdSn.
The XRD pattern shows main peaks at: 21.8°(0.11), 31.0°(1.0), 44.5°(0.19), 50.1°(0.05), 55.2°(0.43), 64.7°(0.14), 73.5°(0.19).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-41855 | 5.76 5.76 5.76
60 60 60
Ac 0.500 0.500 0.500
Ac 0.000 0.000 0.000
Cd 0.250 0.250 0.250
Sn 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: LaAuO2.
The XRD pattern shows main peaks at: 27.6°(0.88), 29.8°(0.35), 30.5°(1.0), 34.9°(0.28), 46.9°(0.39), 55.3°(0.11), 56.5°(0.34), 57.0°(0.17), 68.2°(0.07), 76.8°(0.15), 87.1°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-163884 | 3.88 3.88 11.99
90 90 120
La 0.000 0.000 -0.000
La 0.000 0.000 0.500
Au 0.333 0.667 0.250
Au 0.667 0.333 0.750
O 0.333 0.667 0.418
O 0.667 0.333 0.918
O 0.667 0.333 0.582
O 0.333 0.667 0.082 |
Below is a description of a material. | The chemical formula is: BeBi4Ru.
The XRD pattern shows main peaks at: 17.1°(0.77), 33.1°(1.0), 34.6°(0.85), 40.2°(0.3), 43.9°(0.21), 53.0°(0.36), 58.1°(0.38), 61.0°(0.17), 68.5°(0.13), 69.4°(0.36), 73.0°(0.08), 75.6°(0.1), 82.5°(0.24), 86.7°(0.06).
Generate atomic structure description with lattice lengths, angles, co... | JVASP-65014 | 6.35 6.35 6.35
60 60 60
Be 0.000 0.000 0.000
Bi 0.124 0.625 0.625
Bi 0.625 0.625 0.625
Bi 0.625 0.124 0.625
Bi 0.625 0.625 0.124
Ru 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: AgSbTe2.
The XRD pattern shows main peaks at: 29.2°(1.0), 41.7°(0.79), 51.7°(0.28), 60.5°(0.12), 68.5°(0.17), 76.1°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-154409 | 8.66 8.66 8.66
60 60 60
Ag 0.000 0.000 0.000
Ag 0.500 0.500 -0.000
Ag 0.500 0.000 0.500
Ag 0.500 0.000 -0.000
Sb 0.500 0.500 0.500
Sb 0.000 -0.000 0.500
Sb 0.000 0.500 -0.000
Sb 0.000 0.500 0.500
Te 0.255 0.755 0.236
Te 0.745 0.245 0.764
Te 0.745 0.245 0.245
Te 0.255 0.755 0.755
Te 0.745 0.764 0.245
Te 0.255 0.236 0.75... |
Below is a description of a material. | The chemical formula is: TiRh.
The XRD pattern shows main peaks at: 26.4°(0.19), 29.7°(0.18), 30.4°(0.15), 40.2°(1.0), 40.8°(0.88), 43.1°(0.88), 51.3°(0.13), 54.4°(0.16), 61.7°(0.12), 63.4°(0.12), 71.8°(0.3), 76.6°(0.24), 77.8°(0.24), 86.8°(0.07), 88.3°(0.08).
Generate atomic structure description with lattice lengths,... | JVASP-187851 | 2.94 4.52 4.52
96 90 90
Rh 0.500 0.976 0.524
Rh 0.500 0.524 0.976
Ti 1.000 0.483 0.483
Ti 0.000 0.017 0.017 |
Below is a description of a material. | The chemical formula is: FeCoO2.
The XRD pattern shows main peaks at: 36.0°(0.58), 38.1°(0.17), 42.5°(1.0), 60.2°(0.34), 63.0°(0.29), 72.2°(0.08), 73.5°(0.14), 76.4°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-87129 | 5.05 5.05 5.05
35 35 35
Fe 0.500 0.500 0.500
Co 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: Sc3P2.
The XRD pattern shows main peaks at: 29.6°(0.8), 31.8°(0.35), 32.8°(0.09), 33.7°(0.35), 35.7°(0.4), 36.8°(0.31), 37.3°(1.0), 39.4°(0.69), 40.0°(0.26), 41.5°(0.48), 43.4°(0.22), 46.5°(0.14), 47.6°(0.09), 48.1°(0.47), 50.0°(0.09), 58.9°(0.11), 60.1°(0.18), 61.5°(0.11), 63.9°(0.12), 75.6°(0... | JVASP-23824 | 3.78 6.94 14.38
90 90 90
Sc 0.750 0.135 0.932
Sc 0.750 0.993 0.395
Sc 0.250 0.007 0.605
Sc 0.250 0.507 0.895
Sc 0.750 0.840 0.778
Sc 0.250 0.160 0.222
Sc 0.750 0.493 0.105
Sc 0.250 0.660 0.278
Sc 0.250 0.365 0.432
Sc 0.750 0.635 0.568
Sc 0.250 0.865 0.068
Sc 0.750 0.340 0.722
P 0.250 0.130 0.795
P 0.250 0.759 0.457
P 0... |
Below is a description of a material. | The chemical formula is: K5Sb2Pt.
The XRD pattern shows main peaks at: 9.3°(0.21), 17.8°(0.86), 18.6°(0.46), 28.2°(0.14), 30.5°(1.0), 32.0°(0.06), 35.5°(0.15), 36.2°(0.23), 38.0°(0.05), 39.2°(0.18), 42.1°(0.24), 47.5°(0.14), 48.1°(0.12), 49.5°(0.15), 50.4°(0.09), 54.3°(0.17), 58.0°(0.12), 60.1°(0.12), 63.5°(0.11), 88.3... | JVASP-162830 | 10.05 10.05 10.05
33 33 33
K 0.220 0.220 0.220
K 0.361 0.361 0.361
K 0.500 0.500 0.500
K 0.639 0.639 0.639
K 0.780 0.780 0.780
Pt -0.000 -0.000 -0.000
Sb 0.092 0.092 0.092
Sb 0.908 0.908 0.908 |
Below is a description of a material. | The chemical formula is: LiAl.
The XRD pattern shows main peaks at: 24.2°(0.7), 40.0°(1.0), 47.3°(0.28), 57.9°(0.18), 72.7°(0.33), 86.4°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-7669 | 4.50 4.50 4.50
119 119 90
Li 0.375 0.625 0.750
Li 0.625 0.375 0.250
Al 0.875 0.125 0.750
Al 0.125 0.875 0.250 |
Below is a description of a material. | The chemical formula is: HRu.
The XRD pattern shows main peaks at: 36.6°(0.23), 38.8°(0.29), 41.7°(1.0), 54.4°(0.16), 66.0°(0.18), 72.2°(0.21), 79.3°(0.2), 81.1°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-187705 | 2.83 2.83 4.64
90 90 120
H -0.000 0.000 -0.000
H -0.000 0.000 0.500
Ru 0.333 0.667 0.250
Ru 0.667 0.333 0.750 |
Below is a description of a material. | The chemical formula is: NaGaTe2.
The XRD pattern shows main peaks at: 15.3°(0.33), 25.9°(0.12), 27.6°(1.0), 30.8°(0.23), 34.0°(0.62), 43.7°(0.25), 46.7°(0.25), 47.6°(0.35), 53.3°(0.08), 68.6°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-7641 | 6.74 6.74 6.74
105 105 118
Na 0.250 0.250 0.000
Na 0.750 0.750 -0.000
Ga 0.750 0.250 0.500
Ga 0.250 0.750 0.500
Te 0.677 0.177 0.855
Te 0.177 0.323 0.500
Te 0.823 0.677 0.500
Te 0.323 0.823 0.145 |
Below is a description of a material. | The chemical formula is: ScCu4Sn.
The XRD pattern shows main peaks at: 21.6°(0.08), 25.0°(0.08), 35.6°(0.32), 42.0°(1.0), 44.0°(0.32), 63.9°(0.11), 68.3°(0.3), 75.4°(0.21), 86.2°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-93759 | 5.05 5.05 5.05
60 60 60
Sc 0.000 0.000 0.000
Cu 0.877 0.374 0.374
Cu 0.374 0.877 0.374
Cu 0.374 0.374 0.877
Cu 0.374 0.374 0.374
Sn 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: YFeO3.
The XRD pattern shows main peaks at: 26.0°(0.24), 31.4°(0.19), 33.4°(1.0), 34.4°(0.22), 39.8°(0.06), 43.2°(0.1), 47.2°(0.19), 48.7°(0.21), 52.7°(0.17), 59.1°(0.07), 60.9°(0.34), 64.1°(0.08), 70.1°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and ... | JVASP-154999 | 5.70 5.22 7.48
90 90 90
Y 0.581 0.521 0.748
Y 0.081 0.979 0.748
Y 0.919 0.021 0.248
Y 0.419 0.479 0.248
Fe -0.000 0.500 0.998
Fe 0.500 0.000 0.498
Fe 0.500 -0.000 0.998
Fe 0.000 0.500 0.498
O 0.969 0.393 0.748
O 0.531 0.893 0.248
O 0.469 0.107 0.748
O 0.684 0.305 0.053
O 0.184 0.195 0.053
O 0.816 0.805 0.553
O 0.316 0.... |
Below is a description of a material. | The chemical formula is: AlVO.
The XRD pattern shows main peaks at: 17.9°(0.41), 32.2°(0.13), 36.2°(0.35), 37.1°(1.0), 49.3°(0.08), 57.5°(0.24), 60.7°(0.06), 65.7°(0.16), 69.9°(0.24), 70.4°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-179642 | 3.21 3.21 4.96
90 90 120
Al -0.000 -0.000 -0.000
V 0.667 0.333 0.500
O 0.333 0.667 0.500 |
Below is a description of a material. | The chemical formula is: Ba2PrRuO6.
The XRD pattern shows main peaks at: 29.5°(1.0), 42.1°(0.3), 52.4°(0.32), 61.3°(0.12), 69.4°(0.07), 84.9°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-167680 | 6.10 6.04 8.55
90 89 90
Ba 0.498 0.500 0.748
Ba 0.002 0.000 0.752
Ba 0.502 0.500 0.252
Ba -0.002 -0.000 0.248
Pr 0.000 0.500 0.500
Pr 0.500 0.000 0.000
Ru 0.000 0.500 -0.000
Ru 0.500 0.000 0.500
O 0.727 0.230 0.475
O 0.773 0.730 0.025
O 0.273 0.770 0.525
O 0.227 0.270 0.975
O 0.727 0.770 0.475
O 0.773 0.270 0.025
O 0.2... |
Below is a description of a material. | The chemical formula is: Ca2SnAu.
The XRD pattern shows main peaks at: 20.7°(0.13), 22.9°(0.22), 24.4°(0.37), 33.8°(1.0), 34.8°(0.48), 42.1°(0.15), 46.9°(0.1), 50.1°(0.17), 59.7°(0.16), 61.8°(0.26), 71.0°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-77198 | 12.89 9.02 9.02
33 19 19
Ca 0.750 0.000 0.000
Ca 0.250 -0.000 -0.000
Sn 0.000 -0.000 -0.000
Au 0.500 -0.000 0.000 |
Below is a description of a material. | The chemical formula is: NbPO4.
The XRD pattern shows main peaks at: 21.7°(1.0), 24.5°(0.08), 26.4°(0.06), 34.9°(0.09), 36.3°(0.41), 41.5°(0.31), 43.9°(0.12), 50.2°(0.09), 55.3°(0.05), 57.3°(0.13), 63.5°(0.12), 66.2°(0.08), 67.1°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-137116 | 4.96 4.96 4.96
117 117 94
Nb 0.250 0.750 0.500
P 0.000 0.000 0.000
O 0.302 0.308 0.356
O -0.308 0.048 -0.006
O -0.048 -0.055 0.644
O 0.055 0.698 0.006 |
Below is a description of a material. | The chemical formula is: Ce3B.
The XRD pattern shows main peaks at: 20.2°(0.28), 28.8°(0.26), 35.4°(1.0), 41.2°(0.48), 46.3°(0.14), 51.0°(0.11), 59.6°(0.36), 63.6°(0.07), 71.3°(0.42), 75.0°(0.12), 82.2°(0.05), 89.3°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-129065 | 4.39 4.39 4.39
90 90 90
Ce 0.000 0.500 0.500
Ce 0.500 0.000 0.500
Ce 0.500 0.500 0.000
B 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: PrCo2B2.
The XRD pattern shows main peaks at: 26.3°(0.77), 35.6°(0.36), 36.6°(0.5), 39.7°(1.0), 50.8°(0.27), 52.0°(0.14), 58.2°(0.18), 63.6°(0.25), 66.7°(0.25), 74.8°(0.09), 85.6°(0.1), 88.2°(0.2).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-15360 | 3.59 3.59 5.65
108 108 89
Pr 0.000 0.000 0.000
Co 0.250 0.750 0.500
Co 0.750 0.250 0.500
B 0.664 0.664 0.329
B 0.336 0.336 0.671 |
Below is a description of a material. | The chemical formula is: LiVP3HO10.
The XRD pattern shows main peaks at: 14.5°(1.0), 15.5°(0.33), 18.0°(0.14), 20.4°(0.08), 24.1°(0.05), 25.7°(0.11), 29.2°(0.28), 30.5°(0.12), 31.2°(0.08), 36.5°(0.06), 44.5°(0.07), 45.6°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom typ... | JVASP-141577 | 6.38 6.38 6.23
73 73 86
Li 0.825 0.175 0.500
V 0.345 0.655 0.000
P 0.811 0.548 0.097
P 0.439 0.561 0.500
P 0.452 0.189 0.903
H 0.771 0.229 0.000
O 0.670 0.653 0.939
O 0.343 0.969 0.977
O 0.406 0.708 0.655
O 0.695 0.583 0.356
O 0.708 0.184 0.848
O 0.816 0.292 0.152
O 0.417 0.305 0.644
O 0.292 0.594 0.345
O 0.031 0.657 0... |
Below is a description of a material. | The chemical formula is: LiYF4.
The XRD pattern shows main peaks at: 17.6°(0.88), 23.6°(0.52), 29.6°(1.0), 33.7°(0.07), 38.3°(0.35), 42.0°(0.23), 43.2°(0.35), 48.4°(0.23), 49.9°(0.52), 51.9°(0.17), 54.5°(0.25), 57.7°(0.29), 60.4°(0.14), 65.8°(0.05), 86.7°(0.09).
Generate atomic structure description with lattice length... | JVASP-57746 | 5.03 5.32 5.32
90 90 90
Li 0.000 0.751 0.250
Li -0.000 0.249 0.750
Y 0.500 0.750 0.750
Y 0.500 0.250 0.250
F 0.261 0.434 0.934
F 0.739 0.434 0.566
F 0.261 0.934 0.065
F 0.739 0.934 0.435
F 0.739 0.066 0.935
F 0.261 0.066 0.565
F 0.261 0.566 0.434
F 0.739 0.566 0.066 |
Below is a description of a material. | The chemical formula is: BiWO2.
The XRD pattern shows main peaks at: 23.4°(0.65), 34.0°(1.0), 36.7°(0.66), 46.2°(0.35), 47.9°(0.13), 52.5°(0.27), 59.1°(0.22), 64.4°(0.26), 67.0°(0.13), 70.0°(0.12), 71.6°(0.1), 78.1°(0.08), 79.4°(0.17), 82.9°(0.08).
Generate atomic structure description with lattice lengths, angles, coo... | JVASP-134217 | 7.81 7.81 7.81
23 23 23
Bi 0.000 0.000 0.000
W 0.500 0.500 0.500
O 0.419 0.419 0.419
O 0.581 0.581 0.581 |
Below is a description of a material. | The chemical formula is: Zn3Rh.
The XRD pattern shows main peaks at: 40.9°(1.0), 44.4°(0.19), 49.1°(0.3), 68.3°(0.21), 72.0°(0.09), 79.3°(0.13), 86.2°(0.2), 88.6°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-41492 | 4.85 4.85 4.85
135 135 65
Zn 0.750 0.250 0.500
Zn 0.250 0.750 0.500
Zn 0.500 0.500 0.000
Rh 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: TaMn2V.
The XRD pattern shows main peaks at: 26.0°(0.37), 30.1°(0.15), 43.1°(1.0), 51.1°(0.17), 62.6°(0.16), 79.1°(0.31).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-188952 | 4.20 4.20 4.20
60 60 60
V 0.000 -0.000 -0.000
Mn 0.250 0.250 0.250
Mn 0.750 0.750 0.750
Ta 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Pm2CoPd.
The XRD pattern shows main peaks at: 25.4°(0.09), 36.3°(1.0), 52.2°(0.19), 65.2°(0.37), 77.0°(0.11), 88.2°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-157475 | 4.95 4.95 4.95
60 60 60
Pm 0.000 0.000 0.000
Pm 0.500 0.500 0.500
Co 0.250 0.250 0.250
Pd 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: TiNbO4.
The XRD pattern shows main peaks at: 18.3°(0.07), 24.3°(1.0), 35.9°(0.15), 37.2°(0.35), 45.9°(0.25), 52.7°(0.38), 59.7°(0.08), 60.5°(0.16), 67.0°(0.15), 72.4°(0.17), 79.2°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-135621 | 5.59 5.59 5.59
138 138 60
Ti 0.750 0.250 0.500
Nb 0.000 0.000 0.000
O 0.958 0.458 0.500
O 0.787 0.787 0.000
O 0.542 0.042 0.500
O 0.213 0.213 -0.000 |
Below is a description of a material. | The chemical formula is: LiBiS.
The XRD pattern shows main peaks at: 20.5°(1.0), 25.9°(0.34), 33.3°(0.64), 36.0°(0.39), 41.8°(0.16), 44.8°(0.42), 49.8°(0.22), 56.3°(0.14), 57.7°(0.14), 62.9°(0.21), 64.6°(0.08), 66.0°(0.15), 69.9°(0.08), 70.9°(0.11), 81.2°(0.11), 82.1°(0.09), 85.8°(0.09), 88.5°(0.08).
Generate atomic st... | JVASP-134191 | 5.00 5.00 3.44
90 90 120
Li 0.333 0.667 0.000
Bi 0.000 0.000 0.000
S 0.667 0.333 0.000 |
Below is a description of a material. | The chemical formula is: NaC.
The XRD pattern shows main peaks at: 23.5°(0.53), 26.5°(0.33), 28.5°(0.13), 30.6°(0.19), 36.8°(0.38), 37.8°(0.35), 39.3°(1.0), 48.0°(0.12), 49.4°(0.22), 58.9°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-9084 | 6.73 6.73 7.87
115 115 90
Na 0.938 0.250 0.500
Na 0.750 0.938 1.000
Na 0.250 0.562 0.000
Na 0.562 0.750 0.500
Na 0.062 0.750 0.500
Na 0.250 0.062 0.000
Na 0.750 0.438 1.000
Na 0.438 0.250 0.500
C 0.941 0.691 0.750
C 0.559 0.941 0.250
C 0.691 0.809 0.250
C 0.809 0.559 0.750
C 0.059 0.309 0.250
C 0.441 0.059 0.750
C 0.30... |
Below is a description of a material. | The chemical formula is: Er3Ru.
The XRD pattern shows main peaks at: 28.6°(0.2), 30.3°(0.48), 31.4°(0.56), 31.8°(0.72), 33.1°(1.0), 35.0°(0.8), 35.5°(0.63), 37.3°(0.28), 39.1°(0.32), 39.6°(0.19), 40.2°(0.44), 41.5°(0.21), 50.2°(0.32), 52.9°(0.28), 55.4°(0.21), 57.4°(0.39), 58.9°(0.2), 59.3°(0.19), 59.9°(0.22), 60.9°(0.... | JVASP-154614 | 6.21 7.21 9.00
90 90 90
Er 0.833 0.178 0.937
Er 0.333 0.322 0.063
Er 0.167 0.822 0.437
Er 0.667 0.678 0.563
Er 0.167 0.822 0.063
Er 0.667 0.678 0.937
Er 0.833 0.178 0.563
Er 0.333 0.322 0.437
Er 0.370 0.039 0.750
Er 0.870 0.461 0.250
Er 0.630 0.961 0.250
Er 0.130 0.539 0.750
Ru 0.540 0.385 0.750
Ru 0.040 0.115 0.250
Ru... |
Below is a description of a material. | The chemical formula is: MgScSe3.
The XRD pattern shows main peaks at: 14.8°(0.16), 16.2°(0.07), 26.2°(0.85), 27.2°(0.32), 29.4°(0.24), 32.7°(0.37), 36.0°(1.0), 40.9°(0.11), 41.7°(0.15), 43.3°(0.34), 44.5°(0.07), 45.6°(0.22), 47.2°(0.06), 48.0°(0.13), 49.7°(0.15), 53.2°(0.1), 57.2°(0.12), 61.0°(0.08), 62.4°(0.09).
Gene... | JVASP-108167 | 7.11 7.11 6.46
73 73 114
Mg 0.330 0.670 -0.000
Mg 0.670 0.330 -0.000
Sc 0.781 0.781 0.232
Sc 0.219 0.219 0.768
Se 0.189 0.886 0.217
Se 0.811 0.114 0.783
Se 0.114 0.811 0.783
Se 0.886 0.189 0.217
Se 0.581 0.581 0.705
Se 0.419 0.419 0.295 |
Below is a description of a material. | The chemical formula is: Mg2Sn3O8.
The XRD pattern shows main peaks at: 16.9°(0.21), 17.9°(1.0), 22.2°(0.14), 22.6°(0.09), 24.9°(0.19), 26.7°(0.11), 30.7°(0.1), 32.6°(0.12), 33.5°(0.51), 35.3°(0.09), 36.3°(0.1), 36.7°(0.53), 39.7°(0.11), 41.2°(0.2), 45.3°(0.09), 47.8°(0.27), 52.5°(0.21), 54.9°(0.1), 60.1°(0.29), 69.5°(... | JVASP-30638 | 5.42 6.19 5.91
121 98 90
Mg 0.577 0.705 0.409
Mg 0.423 0.295 0.591
Sn 0.500 1.000 -0.000
Sn -0.000 0.742 1.000
Sn 0.000 0.258 1.000
O 0.135 0.394 0.788
O 0.865 0.606 0.212
O 0.136 0.894 0.788
O 0.864 0.106 0.212
O 0.363 0.353 0.250
O 0.363 0.898 0.250
O 0.637 0.102 0.750
O 0.637 0.647 0.750 |
Below is a description of a material. | The chemical formula is: BaTcBr.
The XRD pattern shows main peaks at: 19.5°(0.45), 32.2°(1.0), 37.9°(0.26), 46.1°(0.2), 50.5°(0.11), 57.3°(0.41), 61.2°(0.08), 67.3°(0.12), 70.8°(0.08), 76.5°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-66640 | 5.57 5.57 5.57
60 60 60
Ba 0.750 0.750 0.750
Tc 0.500 0.500 0.500
Br 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: BaCaI.
The XRD pattern shows main peaks at: 8.7°(0.36), 17.4°(0.06), 21.8°(1.0), 23.5°(0.16), 26.3°(0.29), 28.1°(0.08), 31.0°(0.38), 32.3°(0.07), 34.4°(0.55), 41.1°(0.33), 41.9°(0.08), 44.5°(0.14), 47.7°(0.05), 50.1°(0.19), 52.4°(0.16), 57.4°(0.25), 71.1°(0.07), 73.5°(0.07), 75.4°(0.06), 79.6°(... | JVASP-114544 | 4.07 4.07 10.17
90 90 90
Ba 0.000 0.000 0.323
Ca 0.000 0.000 0.708
I 0.000 0.000 -0.002 |
Below is a description of a material. | The chemical formula is: Mg3Fe2N4.
The XRD pattern shows main peaks at: 14.9°(0.1), 18.5°(0.37), 23.0°(0.34), 29.5°(0.09), 30.4°(0.08), 35.1°(1.0), 38.4°(0.29), 48.2°(0.26), 49.1°(0.23), 49.4°(0.23), 52.0°(0.17), 52.6°(0.17), 56.5°(0.07), 59.8°(0.07), 60.8°(0.12), 67.3°(0.07), 69.3°(0.06), 72.6°(0.06), 74.1°(0.08), 87.... | JVASP-116741 | 6.10 7.55 5.09
90 90 128
Mg 0.230 0.986 0.049
Mg 0.770 0.756 0.451
Mg 0.770 0.014 0.951
Mg 0.230 0.244 0.549
Mg -0.000 0.605 0.750
Mg 0.000 0.395 0.250
Fe 0.595 0.424 0.106
Fe 0.405 0.829 0.394
Fe 0.595 0.171 0.606
Fe 0.405 0.576 0.894
N 0.312 0.741 0.053
N 0.212 0.938 0.517
N 0.788 0.726 0.983
N 0.788 0.062 0.483
N 0.... |
Below is a description of a material. | The chemical formula is: Zn2Ni.
The XRD pattern shows main peaks at: 21.4°(0.4), 30.4°(0.23), 34.2°(0.09), 40.7°(0.15), 43.5°(0.55), 46.4°(1.0), 49.0°(0.08), 56.5°(0.08), 61.1°(0.08), 63.3°(0.19), 72.0°(0.06), 82.0°(0.34), 88.1°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and ... | JVASP-194203 | 2.62 4.16 4.16
90 90 90
Ni 0.500 0.000 0.000
Zn -0.000 0.500 0.000
Zn 0.000 -0.000 0.500 |
Below is a description of a material. | The chemical formula is: SrBiO2.
The XRD pattern shows main peaks at: 17.0°(0.18), 24.1°(0.18), 29.7°(1.0), 34.3°(0.66), 38.6°(0.11), 42.5°(0.09), 49.4°(0.54), 58.6°(0.37), 61.6°(0.2), 72.3°(0.07), 80.2°(0.17), 82.6°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-186063 | 3.70 3.70 5.20
90 90 90
Sr 0.500 0.500 0.508
Bi 0.000 0.000 0.012
O -0.000 -0.000 0.478
O 0.500 0.500 0.012 |
Below is a description of a material. | The chemical formula is: Cr2TeO2.
The XRD pattern shows main peaks at: 26.0°(0.2), 31.6°(0.08), 34.5°(1.0), 35.3°(0.35), 38.8°(0.12), 48.2°(0.08), 50.8°(0.21), 61.2°(0.25), 62.9°(0.31), 72.7°(0.08), 74.7°(0.06), 81.0°(0.08), 85.0°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates an... | JVASP-178790 | 6.20 6.20 6.20
146 146 48
Cr 0.330 0.330 -0.000
Cr 0.670 0.670 0.000
Te 0.000 0.000 -0.000
O 0.750 0.250 0.500
O 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: BiBr3.
The XRD pattern shows main peaks at: 13.8°(0.43), 14.3°(0.12), 15.0°(0.22), 17.0°(0.16), 19.9°(0.12), 23.4°(0.07), 25.3°(0.38), 31.1°(1.0), 34.2°(0.2), 43.8°(0.25), 45.4°(0.32), 46.1°(0.08), 54.6°(0.07), 57.5°(0.05), 72.6°(0.06), 74.8°(0.06).
Generate atomic structure description with la... | JVASP-12048 | 7.17 12.42 6.84
90 110 90
Bi 0.500 0.334 0.000
Bi -0.000 0.834 -0.000
Bi 0.000 0.166 0.000
Bi 0.500 0.666 -0.000
Br 0.248 0.168 0.743
Br 0.254 0.500 0.736
Br 0.253 0.331 0.258
Br 0.247 0.831 0.742
Br 0.246 -0.000 0.264
Br 0.748 0.332 0.743
Br 0.252 0.668 0.257
Br 0.754 0.000 0.736
Br 0.753 0.169 0.258
Br 0.747 0.669 0.... |
Below is a description of a material. | The chemical formula is: K2ScInCl6.
The XRD pattern shows main peaks at: 16.3°(0.68), 23.2°(0.75), 27.2°(0.06), 28.5°(0.17), 33.0°(1.0), 47.4°(0.6), 58.9°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-105595 | 7.68 7.68 7.68
60 60 60
K 0.750 0.750 0.750
K 0.250 0.250 0.250
Sc 0.000 0.000 0.000
In 0.500 0.500 0.500
Cl 0.772 0.228 0.228
Cl 0.228 0.228 0.772
Cl 0.228 0.772 0.772
Cl 0.228 0.772 0.228
Cl 0.772 0.228 0.772
Cl 0.772 0.772 0.228 |
Below is a description of a material. | The chemical formula is: CeGaCu4.
The XRD pattern shows main peaks at: 29.5°(0.39), 34.3°(0.31), 39.8°(0.34), 41.0°(1.0), 44.5°(0.26), 45.9°(0.1), 57.3°(0.13), 61.2°(0.18), 66.0°(0.24), 72.3°(0.17), 79.5°(0.13), 89.0°(0.2).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-106374 | 5.23 5.23 4.07
90 90 120
Ce 0.333 0.667 0.000
Ga 0.667 0.333 0.000
Cu 0.000 0.000 0.000
Cu 0.329 0.165 0.500
Cu 0.835 0.165 0.500
Cu 0.835 0.671 0.500 |
Below is a description of a material. | The chemical formula is: CdSnHg.
The XRD pattern shows main peaks at: 22.0°(0.26), 25.4°(0.26), 36.2°(1.0), 42.8°(0.15), 44.8°(0.07), 52.2°(0.19), 57.3°(0.07), 58.9°(0.1), 65.2°(0.38), 69.7°(0.05), 76.9°(0.12), 81.2°(0.05), 88.1°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-160801 | 4.96 4.96 4.96
60 60 60
Cd 0.250 0.250 0.250
Sn 0.000 0.000 0.000
Hg 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: K4Re2Cl10O.
The XRD pattern shows main peaks at: 13.6°(1.0), 17.9°(0.21), 20.2°(0.12), 25.5°(0.12), 27.1°(0.31), 28.4°(0.19), 29.0°(0.3), 30.5°(0.06), 36.3°(0.36), 41.0°(0.07), 52.3°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-34691 | 7.00 7.00 10.10
110 110 90
K 0.000 0.500 0.000
K 0.750 0.250 0.500
K 0.250 0.750 0.500
K 0.500 0.000 0.000
Re 0.105 0.105 0.211
Re 0.895 0.895 0.789
Cl 0.645 0.645 0.775
Cl 0.758 0.758 0.516
Cl 0.355 0.355 0.225
Cl 0.355 0.870 0.225
Cl 0.130 0.645 0.775
Cl 0.870 0.870 0.225
Cl 0.870 0.355 0.225
Cl 0.242 0.242 0.484
Cl ... |
Below is a description of a material. | The chemical formula is: BiTeCl.
The XRD pattern shows main peaks at: 14.0°(0.57), 23.9°(0.21), 25.0°(0.44), 27.8°(0.32), 32.1°(1.0), 42.1°(0.42), 43.3°(0.32), 44.6°(0.21), 49.6°(0.07), 53.9°(0.24), 62.0°(0.11), 70.7°(0.2), 77.8°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-4026 | 4.29 4.29 12.63
90 90 120
Bi 0.333 0.667 0.137
Bi 0.667 0.333 0.637
Te 0.667 0.333 0.277
Te 0.333 0.667 0.777
Cl 0.000 0.000 0.004
Cl 0.000 0.000 0.504 |
Below is a description of a material. | The chemical formula is: Li2PtF6.
The XRD pattern shows main peaks at: 19.3°(0.32), 21.4°(1.0), 27.1°(0.37), 33.5°(0.32), 35.1°(0.22), 40.2°(0.05), 43.6°(0.14), 44.7°(0.29), 48.3°(0.11), 53.3°(0.24), 55.9°(0.07), 59.8°(0.06), 66.8°(0.09), 67.8°(0.09).
Generate atomic structure description with lattice lengths, angles, ... | JVASP-176638 | 4.65 4.65 9.19
90 89 90
Li -0.000 1.000 0.336
Li 0.500 0.500 0.836
Li 0.000 0.000 0.664
Li 0.500 0.500 0.164
Pt 0.500 0.500 0.500
Pt 0.000 0.000 0.000
F 0.304 0.694 0.663
F 0.196 0.194 0.837
F 0.701 0.300 1.000
F 0.799 0.800 0.500
F 0.299 0.700 0.000
F 0.201 0.200 0.500
F 0.196 0.194 0.163
F 0.304 0.694 0.337
F 0.804 0... |
Below is a description of a material. | The chemical formula is: ErPIrO.
The XRD pattern shows main peaks at: 11.2°(0.23), 22.5°(0.25), 25.2°(0.23), 32.0°(0.46), 34.0°(1.0), 39.5°(0.45), 41.2°(0.07), 45.9°(0.41), 51.7°(0.11), 53.1°(0.06), 57.1°(0.57), 58.4°(0.24), 63.4°(0.06), 67.0°(0.12), 77.3°(0.34), 80.6°(0.11).
Generate atomic structure description with ... | JVASP-159713 | 3.95 3.95 7.89
90 90 90
Er 0.000 0.000 0.133
Er 0.500 0.500 0.867
P 0.500 0.500 0.331
P 0.000 0.000 0.669
Ir 0.500 0.000 0.500
Ir 0.000 0.500 0.500
O 0.500 0.000 0.000
O 0.000 0.500 0.000 |
Below is a description of a material. | The chemical formula is: Li2Cu3Ge.
The XRD pattern shows main peaks at: 21.9°(1.0), 22.3°(0.26), 42.8°(0.42), 43.2°(0.2), 44.6°(0.62), 45.5°(0.2), 52.3°(0.33), 57.0°(0.13), 58.0°(0.06), 76.4°(0.12), 77.7°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-100378 | 4.92 4.92 4.92
60 60 60
Li 0.627 0.627 0.627
Li 0.373 0.373 0.373
Cu 0.000 0.500 0.000
Cu 0.500 0.000 -0.000
Cu 0.000 -0.000 0.500
Ge 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: SrSbO3.
The XRD pattern shows main peaks at: 21.1°(0.08), 30.1°(1.0), 43.1°(0.31), 53.4°(0.41), 62.5°(0.2), 70.9°(0.17), 78.9°(0.07), 86.7°(0.22).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-107220 | 4.20 4.20 4.20
90 90 90
Sr 0.000 0.000 0.000
Sb 0.500 0.500 0.500
O 0.500 0.500 0.000
O 0.500 0.000 0.500
O 0.000 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Ca3Mg.
The XRD pattern shows main peaks at: 29.8°(1.0), 34.5°(0.48), 49.6°(0.31), 59.0°(0.34), 61.9°(0.1), 80.6°(0.14), 83.1°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-129863 | 5.20 5.20 5.20
90 90 90
Ca 0.000 0.500 0.500
Ca 0.500 0.000 0.500
Ca 0.500 0.500 0.000
Mg 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: YbAl3B4O12.
The XRD pattern shows main peaks at: 16.4°(0.94), 19.0°(0.62), 25.2°(0.74), 26.8°(0.34), 31.8°(0.48), 33.1°(1.0), 38.4°(0.52), 42.2°(0.42), 46.7°(0.17), 54.5°(0.1), 55.2°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-45274 | 5.91 5.91 5.91
104 104 104
Yb 0.000 0.000 0.000
Al -0.000 0.443 0.557
Al 0.557 0.000 0.443
Al 0.443 0.557 0.000
B 0.942 0.500 0.058
B 0.500 0.500 0.500
B 0.058 0.942 0.500
B 0.500 0.058 0.942
O 0.500 0.910 0.090
O 0.090 0.500 0.910
O 0.910 0.090 0.500
O 0.030 0.775 0.624
O 0.775 0.624 0.030
O 0.225 0.970 0.376
O 0.376 ... |
Below is a description of a material. | The chemical formula is: MnSe.
The XRD pattern shows main peaks at: 30.8°(1.0), 40.7°(0.82), 47.4°(0.52), 53.9°(0.2), 57.6°(0.16), 62.6°(0.08), 64.2°(0.22), 74.5°(0.07), 77.7°(0.13), 82.1°(0.2), 83.5°(0.19), 88.1°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-14266 | 3.84 3.84 5.94
90 90 119
Mn 0.000 0.000 0.000
Mn 0.000 0.000 0.500
Se 0.333 0.667 0.750
Se 0.667 0.333 0.250 |
Below is a description of a material. | The chemical formula is: Nb2Ga.
The XRD pattern shows main peaks at: 34.3°(0.1), 36.3°(1.0), 40.0°(0.34), 40.6°(0.09), 45.1°(0.26), 45.6°(0.43), 62.6°(0.2), 63.5°(0.11), 66.5°(0.06), 69.8°(0.16), 72.2°(0.06), 73.4°(0.2), 85.1°(0.13), 89.7°(0.12).
Generate atomic structure description with lattice lengths, angles, coord... | JVASP-187748 | 5.16 5.16 5.16
104 104 119
Nb 0.345 0.845 0.191
Nb 0.154 0.346 0.500
Nb 0.655 0.155 0.809
Nb 0.846 0.654 0.500
Ga 0.250 0.250 1.000
Ga 0.750 0.750 0.000 |
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