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: VGaO2.
The XRD pattern shows main peaks at: 33.6°(0.61), 36.4°(1.0), 46.2°(0.69), 47.2°(0.26), 58.3°(0.44), 62.0°(0.3), 67.4°(0.19), 77.4°(0.17), 79.1°(0.24), 79.8°(0.07), 86.3°(0.07), 88.6°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-178876 | 2.78 2.78 5.33
90 90 90
V 0.500 0.500 0.501
Ga 0.000 0.000 0.047
O -0.000 -0.000 0.581
O 0.500 0.500 0.882 |
Below is a description of a material. | The chemical formula is: CsCa3.
The XRD pattern shows main peaks at: 16.6°(0.24), 19.2°(0.13), 27.3°(1.0), 32.2°(0.05), 39.1°(0.19), 48.3°(0.4), 56.4°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-105153 | 6.52 6.52 6.52
60 60 60
Cs 0.000 0.000 0.000
Ca 0.250 0.250 0.250
Ca 0.750 0.750 0.750
Ca 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: K2LiErCl6.
The XRD pattern shows main peaks at: 15.1°(1.0), 17.4°(0.55), 24.8°(0.63), 29.1°(0.66), 35.3°(0.86), 38.6°(0.06), 39.7°(0.14), 50.8°(0.56), 63.4°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-102858 | 7.19 7.19 7.19
60 60 60
K 0.750 0.750 0.750
K 0.250 0.250 0.250
Li 0.500 0.500 0.500
Er 0.000 0.000 0.000
Cl 0.746 0.254 0.254
Cl 0.254 0.254 0.746
Cl 0.254 0.746 0.746
Cl 0.254 0.746 0.254
Cl 0.746 0.254 0.746
Cl 0.746 0.746 0.254 |
Below is a description of a material. | The chemical formula is: NdB2Rh2C.
The XRD pattern shows main peaks at: 17.2°(0.05), 24.6°(0.35), 34.9°(0.45), 37.2°(1.0), 47.0°(0.3), 59.8°(0.24), 64.0°(0.2), 68.7°(0.09), 79.4°(0.1), 80.8°(0.22).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-86832 | 3.87 3.87 5.83
109 109 90
Nd 0.000 0.000 0.000
B 0.645 0.645 0.290
B 0.355 0.355 0.710
Rh 0.750 0.250 0.500
Rh 0.250 0.750 0.500
C 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: SnPb4S5.
The XRD pattern shows main peaks at: 5.9°(0.06), 25.9°(0.95), 30.0°(1.0), 42.9°(0.41), 50.8°(0.32), 62.2°(0.08), 68.6°(0.07), 70.6°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-104930 | 15.21 15.21 15.21
164 164 22
Sn 0.000 0.000 0.000
Pb 0.401 0.401 0.000
Pb 0.800 0.800 -0.000
Pb 0.200 0.200 -0.000
Pb 0.599 0.599 -0.000
S 0.500 0.500 0.000
S 0.700 0.700 -0.000
S 0.098 0.098 -0.000
S 0.902 0.902 0.000
S 0.300 0.300 0.000 |
Below is a description of a material. | The chemical formula is: PrCu3Pd2.
The XRD pattern shows main peaks at: 21.6°(0.16), 24.2°(0.16), 32.6°(0.05), 34.5°(0.45), 36.2°(0.19), 39.4°(1.0), 40.4°(0.29), 41.1°(0.61), 41.8°(0.49), 44.1°(0.37), 60.7°(0.08), 63.4°(0.08), 64.5°(0.13), 66.4°(0.1), 67.3°(0.21), 68.2°(0.11), 72.8°(0.3), 76.9°(0.08).
Generate atomic s... | JVASP-170454 | 5.21 5.21 5.21
89 63 123
Pr -0.000 0.003 0.997
Cu 0.250 0.865 0.385
Cu 0.750 0.365 0.385
Cu 0.500 0.783 0.717
Pd 0.753 0.367 0.880
Pd 0.247 0.367 0.386 |
Below is a description of a material. | The chemical formula is: BeHgMo.
The XRD pattern shows main peaks at: 13.3°(0.6), 26.8°(0.32), 36.2°(0.25), 38.7°(1.0), 40.6°(0.17), 45.6°(0.45), 55.5°(0.2), 65.0°(0.14), 66.7°(0.06), 67.7°(0.19), 71.7°(0.12), 78.3°(0.13), 79.6°(0.15), 82.1°(0.06), 83.0°(0.09).
Generate atomic structure description with lattice lengths... | JVASP-71486 | 2.87 2.87 6.66
90 90 120
Be 0.000 0.000 0.012
Hg 0.667 0.333 0.684
Mo 0.333 0.667 0.303 |
Below is a description of a material. | The chemical formula is: Li2AlRh.
The XRD pattern shows main peaks at: 25.8°(1.0), 29.9°(0.28), 42.8°(0.65), 50.6°(0.46), 53.0°(0.08), 62.1°(0.11), 78.3°(0.24).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-18767 | 4.23 4.23 4.23
60 60 60
Li 0.250 0.250 0.250
Li 0.500 0.500 0.500
Al 0.000 0.000 0.000
Rh 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: AsRh2.
The XRD pattern shows main peaks at: 36.2°(1.0), 37.8°(0.66), 38.8°(0.17), 39.2°(0.32), 39.8°(0.97), 42.7°(0.65), 45.5°(0.82), 47.6°(0.36), 48.6°(0.11), 52.4°(0.25), 53.2°(0.2), 61.5°(0.18), 64.1°(0.13), 67.9°(0.22), 71.8°(0.19), 73.6°(0.2), 77.9°(0.1), 80.1°(0.13), 82.1°(0.21), 86.7°(0.... | JVASP-152007 | 3.99 5.92 7.49
90 90 90
As 0.250 0.237 0.613
As 0.750 0.263 0.113
As 0.750 0.763 0.387
As 0.250 0.737 0.887
Rh 0.250 0.032 0.325
Rh 0.750 0.468 0.825
Rh 0.750 0.968 0.675
Rh 0.250 0.532 0.175
Rh 0.250 0.146 0.928
Rh 0.750 0.354 0.428
Rh 0.750 0.854 0.072
Rh 0.250 0.646 0.572 |
Below is a description of a material. | The chemical formula is: CdAu3.
The XRD pattern shows main peaks at: 37.1°(1.0), 43.1°(0.49), 62.6°(0.32), 75.1°(0.39), 79.1°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-19648 | 4.20 4.20 4.19
90 90 90
Cd 0.000 0.000 0.000
Au 0.000 0.500 0.500
Au 0.500 0.000 0.500
Au 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: Li3In.
The XRD pattern shows main peaks at: 23.3°(1.0), 27.0°(0.57), 38.6°(0.62), 45.6°(0.55), 47.7°(0.15), 55.7°(0.1), 61.2°(0.22), 63.0°(0.2), 69.8°(0.21), 74.7°(0.15), 82.7°(0.06), 87.4°(0.16), 89.0°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and at... | JVASP-40328 | 4.67 4.67 4.67
60 60 60
Li 0.000 0.000 0.000
Li 0.500 0.500 0.500
Li 0.250 0.250 0.250
In 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: LiSnS.
The XRD pattern shows main peaks at: 21.2°(1.0), 25.2°(0.51), 33.1°(0.67), 37.1°(0.55), 43.1°(0.16), 45.4°(0.64), 50.6°(0.22), 51.7°(0.07), 56.4°(0.15), 58.2°(0.14), 64.4°(0.22), 65.3°(0.22), 66.9°(0.1), 69.5°(0.09), 72.7°(0.16), 81.5°(0.12), 84.6°(0.12), 88.5°(0.1), 89.3°(0.1).
Generate... | JVASP-135366 | 4.84 4.84 3.54
90 90 120
Li 0.000 0.000 0.000
Sn 0.667 0.333 0.000
S 0.333 0.667 0.000 |
Below is a description of a material. | The chemical formula is: HfO2.
The XRD pattern shows main peaks at: 24.2°(0.13), 24.6°(0.12), 28.3°(1.0), 31.7°(0.77), 34.4°(0.26), 35.6°(0.21), 36.0°(0.07), 38.7°(0.09), 41.0°(0.13), 45.7°(0.07), 49.5°(0.18), 50.4°(0.21), 54.5°(0.12), 55.7°(0.17), 56.2°(0.1), 57.5°(0.09), 60.1°(0.1), 61.8°(0.07), 62.2°(0.09), 63.3°(0.... | JVASP-9147 | 5.12 5.19 5.30
90 99 90
Hf 0.724 0.542 0.292
Hf 0.276 0.042 0.208
Hf 0.276 0.458 0.708
Hf 0.724 0.958 0.792
O 0.553 0.258 0.020
O 0.447 0.758 0.480
O 0.447 0.742 0.980
O 0.553 0.242 0.520
O 0.929 0.664 0.658
O 0.071 0.164 0.842
O 0.071 0.336 0.342
O 0.929 0.836 0.158 |
Below is a description of a material. | The chemical formula is: AlMo2.
The XRD pattern shows main peaks at: 19.9°(0.28), 29.3°(0.19), 39.3°(0.58), 41.2°(1.0), 44.5°(0.12), 56.8°(0.19), 59.1°(0.09), 62.5°(0.06), 72.6°(0.35), 76.4°(0.13), 84.6°(0.06), 86.5°(0.07), 89.5°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-179653 | 3.24 3.24 5.01
108 108 90
Al -0.000 -0.000 -0.000
Mo 0.676 0.676 0.353
Mo 0.324 0.324 0.647 |
Below is a description of a material. | The chemical formula is: LiMg.
The XRD pattern shows main peaks at: 18.3°(0.66), 31.5°(0.3), 36.7°(1.0), 37.1°(0.24), 41.1°(0.15), 49.5°(0.17), 53.0°(0.16), 56.3°(0.06), 65.8°(0.22), 66.6°(0.15), 69.0°(0.06), 78.1°(0.09), 89.3°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and a... | JVASP-101160 | 3.01 3.01 4.85
90 90 109
Li 0.000 0.000 0.000
Mg 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: BeHgTe2.
The XRD pattern shows main peaks at: 12.9°(0.55), 22.7°(0.46), 26.2°(0.55), 32.3°(1.0), 34.8°(0.78), 41.9°(0.48), 45.9°(0.5), 46.4°(0.39), 52.2°(0.09), 54.0°(0.3), 58.7°(0.13), 59.2°(0.29), 67.3°(0.31), 73.8°(0.09), 77.0°(0.17), 78.0°(0.12), 78.4°(0.1), 82.9°(0.14), 85.7°(0.09), 86.6°(... | JVASP-67655 | 3.92 3.92 6.86
90 90 90
Be 0.000 0.000 0.319
Hg 0.500 0.500 0.812
Te 0.000 0.000 0.968
Te 0.500 0.500 0.401 |
Below is a description of a material. | The chemical formula is: Pr3Cu3Sb4.
The XRD pattern shows main peaks at: 28.7°(0.51), 34.1°(1.0), 41.0°(0.3), 43.1°(0.08), 45.2°(0.14), 57.8°(0.08), 59.4°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-121426 | 8.52 8.52 8.52
109 109 109
Pr 0.875 0.250 0.125
Pr 0.625 0.750 0.375
Pr 0.250 0.125 0.875
Pr 0.750 0.375 0.625
Pr 0.125 0.875 0.250
Pr 0.375 0.625 0.750
Cu 0.875 0.125 0.750
Cu 0.625 0.375 0.250
Cu 0.750 0.875 0.125
Cu 0.125 0.750 0.875
Cu 0.375 0.250 0.625
Cu 0.250 0.625 0.375
Sb 0.000 0.161 0.500
Sb 0.661 0.500 -0.00... |
Below is a description of a material. | The chemical formula is: CrRh.
The XRD pattern shows main peaks at: 30.0°(0.13), 43.0°(1.0), 62.5°(0.14), 70.9°(0.05), 78.8°(0.29).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-127356 | 2.97 2.97 2.97
90 90 90
Cr 0.000 0.000 0.000
Rh 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Sr3BiN.
The XRD pattern shows main peaks at: 14.3°(1.0), 20.3°(0.2), 28.9°(0.56), 32.4°(0.55), 35.5°(0.09), 41.3°(0.44), 43.9°(0.33), 51.1°(0.15), 53.4°(0.15), 55.6°(0.06), 59.8°(0.08), 61.8°(0.19), 67.7°(0.2), 69.6°(0.13), 75.2°(0.14), 77.1°(0.07), 84.3°(0.13).
Generate atomic structure descri... | JVASP-36450 | 6.19 6.19 6.19
90 90 90
Sr 0.000 0.500 0.500
Sr 0.500 0.000 0.500
Sr 0.500 0.500 0.000
Bi 0.500 0.500 0.500
N 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: BaMgNi2.
The XRD pattern shows main peaks at: 12.8°(0.12), 25.7°(0.09), 29.1°(0.86), 36.9°(1.0), 37.2°(0.86), 38.9°(0.25), 45.8°(0.08), 53.5°(0.14), 55.0°(0.33), 59.8°(0.19), 62.2°(0.15), 66.9°(0.23), 68.4°(0.09), 73.6°(0.09), 79.4°(0.09), 84.5°(0.1).
Generate atomic structure description with ... | JVASP-65503 | 3.41 3.42 6.94
90 90 90
Ba 0.500 0.500 0.500
Mg 0.500 0.500 0.000
Ni 0.000 0.000 0.826
Ni 0.000 0.000 0.174 |
Below is a description of a material. | The chemical formula is: TiPbO3.
The XRD pattern shows main peaks at: 22.5°(0.38), 32.0°(1.0), 39.4°(0.31), 45.8°(0.3), 51.6°(0.22), 57.0°(0.4), 66.8°(0.19), 71.5°(0.11), 76.0°(0.19), 80.4°(0.11), 84.8°(0.07), 89.2°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-92281 | 3.96 3.96 3.96
90 90 90
Ti 0.500 0.500 0.500
Pb 0.000 0.000 0.000
O 0.000 0.500 0.500
O 0.500 0.500 0.000
O 0.500 0.000 0.500 |
Below is a description of a material. | The chemical formula is: Cr2CoTe4.
The XRD pattern shows main peaks at: 30.1°(1.0), 30.9°(0.13), 40.6°(0.32), 45.3°(0.18), 45.7°(0.39), 54.4°(0.13), 55.6°(0.16), 62.5°(0.06), 64.5°(0.06), 82.2°(0.07), 84.0°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-35427 | 4.00 6.86 6.98
118 106 90
Cr 0.255 0.271 0.510
Cr 0.745 0.729 0.490
Co 0.000 0.000 0.000
Te 0.116 0.450 0.232
Te 0.884 0.550 0.768
Te 0.375 0.036 0.750
Te 0.625 0.964 0.250 |
Below is a description of a material. | The chemical formula is: SmAl2Au2.
The XRD pattern shows main peaks at: 8.5°(0.11), 25.6°(0.28), 26.5°(0.36), 28.7°(0.11), 30.0°(0.73), 32.9°(0.54), 33.6°(1.0), 41.1°(0.69), 45.4°(0.26), 48.3°(0.27), 49.0°(0.19), 49.6°(0.13), 53.6°(0.29), 59.5°(0.24), 61.3°(0.09), 65.2°(0.22), 68.1°(0.14), 70.1°(0.24), 77.9°(0.11), 84.... | JVASP-62322 | 4.39 4.39 10.43
90 90 90
Sm 0.000 0.500 0.752
Sm 0.500 0.000 0.248
Al 0.500 0.500 0.500
Al 0.000 0.000 0.500
Al 0.000 0.500 0.131
Al 0.500 0.000 0.869
Au 0.500 0.500 0.000
Au 0.000 0.000 0.000
Au 0.000 0.500 0.369
Au 0.500 0.000 0.631 |
Below is a description of a material. | The chemical formula is: NaScO.
The XRD pattern shows main peaks at: 12.4°(0.26), 25.0°(0.19), 25.8°(1.0), 28.7°(0.11), 36.2°(0.26), 36.8°(0.36), 45.0°(0.14), 46.4°(0.08), 51.3°(0.05), 53.1°(0.1), 58.3°(0.13), 59.9°(0.14), 64.8°(0.09), 66.0°(0.08), 82.7°(0.08).
Generate atomic structure description with lattice lengths... | JVASP-139592 | 3.45 3.45 7.12
90 90 90
Na 0.000 0.000 -0.090
Sc 0.000 0.000 0.448
O 0.000 0.000 0.204 |
Below is a description of a material. | The chemical formula is: TbIn6Cu6.
The XRD pattern shows main peaks at: 30.8°(0.17), 32.7°(0.34), 33.3°(0.61), 38.2°(0.52), 38.9°(1.0), 39.3°(0.31), 41.6°(0.09), 43.2°(0.41), 43.8°(0.18), 58.8°(0.12), 62.5°(0.16), 68.6°(0.1), 70.0°(0.2), 70.9°(0.25).
Generate atomic structure description with lattice lengths, angles, c... | JVASP-141400 | 7.07 7.07 7.07
134 99 98
Tb 0.000 0.000 0.000
In 0.337 -0.000 0.337
In 0.663 0.000 0.663
In 0.341 0.341 -0.000
In 0.659 0.659 0.000
In 0.821 0.321 0.500
In 0.179 0.679 0.500
Cu 0.000 0.500 0.000
Cu 0.000 0.000 0.500
Cu 0.500 0.000 -0.000
Cu 0.500 0.500 0.500
Cu 0.762 0.500 0.262
Cu 0.238 0.500 0.738 |
Below is a description of a material. | The chemical formula is: YH3O3.
The XRD pattern shows main peaks at: 16.3°(1.0), 28.4°(0.54), 30.1°(0.76), 32.9°(0.17), 38.3°(0.11), 41.8°(0.7), 44.0°(0.13), 50.3°(0.25), 51.3°(0.58), 58.7°(0.08), 59.9°(0.14), 67.4°(0.09), 74.9°(0.14), 81.7°(0.11).
Generate atomic structure description with lattice lengths, angles, coo... | JVASP-54726 | 6.29 3.54 6.29
90 119 90
Y 0.328 0.500 0.668
Y 0.661 0.000 0.335
H 0.855 0.500 0.136
H 0.269 0.500 0.142
H 0.860 0.500 0.727
H 0.135 0.000 0.867
H 0.720 0.000 0.862
H 0.129 0.000 0.276
O 0.910 0.500 0.312
O 0.389 0.500 0.086
O 0.685 0.500 0.607
O 0.079 0.000 0.692
O 0.601 0.000 0.917
O 0.305 0.000 0.396 |
Below is a description of a material. | The chemical formula is: MgAl.
The XRD pattern shows main peaks at: 36.6°(1.0), 42.5°(0.45), 61.7°(0.29), 74.0°(0.35), 77.9°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-189344 | 3.00 3.00 4.25
90 90 90
Mg 0.500 0.500 0.500
Al 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: MgU2O6.
The XRD pattern shows main peaks at: 16.6°(0.46), 18.7°(0.13), 21.7°(0.35), 24.9°(0.06), 29.1°(0.86), 29.8°(1.0), 32.6°(0.13), 34.1°(0.5), 40.4°(0.06), 44.0°(0.09), 48.1°(0.19), 48.9°(0.38), 50.1°(0.15), 57.6°(0.22), 58.3°(0.08), 58.9°(0.2), 72.0°(0.05), 78.6°(0.07).
Generate atomic str... | JVASP-166938 | 7.56 11.14 6.47
29 54 59
Mg 0.000 0.340 0.990
Mg 0.500 0.660 0.010
U 0.000 0.986 0.021
U 0.500 0.014 0.979
U -0.000 0.671 0.993
U 0.500 0.329 0.007
O 0.125 0.020 0.219
O 0.138 0.322 0.275
O 0.625 0.980 0.279
O 0.108 0.658 0.262
O 0.392 0.342 0.738
O 0.608 0.342 0.236
O 0.362 0.678 0.725
O 0.638 0.678 0.241
O 0.862 0.32... |
Below is a description of a material. | The chemical formula is: PmRh3.
The XRD pattern shows main peaks at: 26.0°(0.06), 35.0°(0.26), 39.1°(0.26), 40.3°(1.0), 53.5°(0.15), 62.8°(0.17), 71.6°(0.19), 76.5°(0.19), 77.3°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-100223 | 5.92 5.92 4.61
90 90 120
Pm 0.333 0.667 0.750
Pm 0.667 0.333 0.250
Rh 0.154 0.307 0.250
Rh 0.693 0.846 0.250
Rh 0.154 0.846 0.250
Rh 0.846 0.693 0.750
Rh 0.307 0.154 0.750
Rh 0.846 0.154 0.750 |
Below is a description of a material. | The chemical formula is: Eu2AgPt.
The XRD pattern shows main peaks at: 35.4°(1.0), 50.9°(0.18), 63.5°(0.35), 74.9°(0.11), 85.6°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-100164 | 5.07 5.07 5.07
60 60 60
Eu 0.250 0.250 0.250
Eu 0.750 0.750 0.750
Ag 0.500 0.500 0.500
Pt 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: SrP3.
The XRD pattern shows main peaks at: 15.7°(0.25), 19.0°(0.29), 23.1°(0.3), 26.3°(0.65), 27.1°(0.37), 31.6°(0.55), 32.7°(1.0), 33.9°(0.6), 34.9°(0.38), 35.3°(0.42), 38.8°(0.41), 39.9°(0.12), 41.9°(0.36), 46.9°(0.23), 48.1°(0.25), 53.3°(0.21), 54.8°(0.13), 55.8°(0.2), 59.6°(0.25), 63.3°(0.1... | JVASP-123621 | 3.44 4.70 5.96
97 106 90
Sr 0.339 -0.027 0.679
P 0.617 0.104 0.234
P 0.116 0.424 0.232
P 0.928 0.499 0.855 |
Below is a description of a material. | The chemical formula is: AsPtAu.
The XRD pattern shows main peaks at: 24.7°(0.6), 40.9°(1.0), 48.3°(0.27), 59.2°(0.17), 65.1°(0.12), 74.4°(0.33), 79.8°(0.1), 88.6°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-75452 | 4.41 4.41 4.41
60 60 60
As 0.500 0.500 0.500
Pt 0.000 0.000 0.000
Au 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: Li2IrO3.
The XRD pattern shows main peaks at: 19.9°(0.84), 24.7°(1.0), 30.3°(0.44), 36.7°(0.23), 37.9°(0.2), 40.5°(0.13), 42.1°(0.49), 46.1°(0.17), 50.7°(0.15), 55.6°(0.12), 56.1°(0.2), 56.7°(0.09), 59.0°(0.08), 63.0°(0.1), 64.0°(0.13), 65.0°(0.1), 78.0°(0.07), 79.1°(0.07), 81.1°(0.06), 82.6°(0... | JVASP-180961 | 5.11 5.11 3.13
107 107 45
Li 0.822 0.822 0.825
Li 0.178 0.178 0.175
Ir 0.500 0.500 0.500
O 0.652 0.652 0.149
O 1.000 1.000 0.500
O 0.348 0.348 0.851 |
Below is a description of a material. | The chemical formula is: KNb6S8.
The XRD pattern shows main peaks at: 10.5°(0.72), 21.1°(0.22), 28.1°(0.42), 33.8°(0.09), 38.6°(1.0), 41.6°(0.11), 45.8°(0.27), 49.6°(0.2), 53.6°(0.09), 54.6°(0.08), 67.9°(0.09), 76.0°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-145401 | 9.72 9.72 3.42
90 90 120
K 0.000 0.000 0.500
Nb 0.624 0.514 0.251
Nb 0.889 0.376 0.251
Nb 0.486 0.111 0.251
Nb 0.376 0.486 0.749
Nb 0.111 0.624 0.749
Nb 0.514 0.889 0.749
S 0.333 0.667 0.249
S 0.667 0.333 0.751
S 0.942 0.656 0.248
S 0.714 0.058 0.248
S 0.344 0.286 0.248
S 0.058 0.344 0.752
S 0.286 0.942 0.752
S 0.656 0... |
Below is a description of a material. | The chemical formula is: Sr2CoRuO6.
The XRD pattern shows main peaks at: 32.4°(1.0), 33.0°(0.96), 46.9°(0.71), 57.9°(0.23), 58.2°(0.43), 59.2°(0.19), 67.9°(0.19), 69.1°(0.2), 77.6°(0.17), 78.4°(0.17), 86.6°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-102682 | 5.44 5.44 5.44
61 61 61
Sr 0.251 0.251 0.251
Sr 0.749 0.749 0.749
Co 0.500 0.500 0.500
Ru 0.000 0.000 0.000
O 0.697 0.250 0.799
O 0.303 0.750 0.201
O 0.750 0.201 0.303
O 0.799 0.697 0.250
O 0.250 0.799 0.697
O 0.201 0.303 0.750 |
Below is a description of a material. | The chemical formula is: H6PtN4O4.
The XRD pattern shows main peaks at: 15.3°(1.0), 19.7°(0.19), 21.3°(0.46), 23.4°(0.28), 25.1°(0.51), 27.4°(0.24), 29.1°(0.15), 29.8°(0.32), 32.0°(0.28), 36.9°(0.16), 37.9°(0.22), 39.4°(0.17), 40.0°(0.12), 44.7°(0.09), 45.2°(0.14), 45.7°(0.1), 46.9°(0.17), 47.6°(0.09), 52.2°(0.11), 63.... | JVASP-154326 | 5.91 5.91 4.21
85 85 99
H 0.807 0.659 0.398
H 0.341 0.193 0.602
H 0.993 0.474 0.398
H 0.526 0.007 0.602
H 0.824 0.491 0.103
H 0.509 0.176 0.897
Pt 0.167 0.833 -0.000
N 0.919 0.586 0.257
N 0.414 0.081 0.743
N 0.942 0.058 -0.000
N 0.391 0.609 -0.000
O 0.772 0.028 0.206
O 0.972 0.228 0.794
O 0.361 0.438 0.206
O 0.562 0.63... |
Below is a description of a material. | The chemical formula is: K2NbCuSe4.
The XRD pattern shows main peaks at: 15.1°(1.0), 20.1°(0.26), 25.5°(0.26), 26.1°(0.34), 27.6°(0.86), 30.0°(0.17), 31.5°(0.86), 33.8°(0.13), 37.2°(0.14), 38.6°(0.62), 40.5°(0.38), 42.0°(0.57), 45.8°(0.11), 46.6°(0.23), 49.6°(0.17), 51.7°(0.3), 55.5°(0.16), 56.4°(0.15), 64.7°(0.11), 68... | JVASP-10475 | 5.76 7.31 12.26
84 76 66
K 0.805 0.750 0.390
K 0.445 0.750 0.110
K 0.195 0.250 0.610
K 0.555 0.250 0.890
Nb 0.625 0.750 0.750
Nb 0.375 0.250 0.250
Cu 0.875 0.250 0.250
Cu 0.125 0.750 0.750
Se 0.455 0.461 0.367
Se 0.178 0.039 0.367
Se 0.545 0.539 0.633
Se 0.217 0.961 0.867
Se 0.916 0.539 0.867
Se 0.822 0.961 0.633
Se 0.... |
Below is a description of a material. | The chemical formula is: Ti4Mo.
The XRD pattern shows main peaks at: 17.4°(0.19), 39.7°(1.0), 57.1°(0.11), 57.7°(0.06), 71.8°(0.22), 85.6°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-188693 | 3.20 5.34 5.34
84 72 72
Ti 0.591 0.691 0.128
Ti 0.218 0.873 0.691
Ti 0.782 0.127 0.309
Ti 0.409 0.309 0.872
Mo -0.000 0.500 0.500 |
Below is a description of a material. | The chemical formula is: ZrBeCo4.
The XRD pattern shows main peaks at: 23.2°(0.28), 26.8°(0.21), 38.3°(0.18), 45.2°(1.0), 47.3°(0.48), 55.2°(0.07), 60.7°(0.06), 62.4°(0.06), 69.2°(0.06), 74.0°(0.28), 81.9°(0.23).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-65166 | 4.71 4.71 4.71
60 60 60
Zr 0.250 0.250 0.250
Be 0.000 0.000 0.000
Co 0.121 0.626 0.626
Co 0.626 0.626 0.626
Co 0.626 0.121 0.626
Co 0.626 0.626 0.121 |
Below is a description of a material. | The chemical formula is: CaTiO3.
The XRD pattern shows main peaks at: 22.7°(0.08), 23.3°(0.08), 32.8°(1.0), 33.2°(0.64), 40.6°(0.13), 46.4°(0.33), 47.7°(0.49), 58.2°(0.24), 59.1°(0.49), 68.7°(0.27), 69.8°(0.11), 79.5°(0.13), 88.0°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-9409 | 5.39 5.39 5.47
119 119 90
Ca 0.250 0.750 0.500
Ca 0.750 0.250 0.500
Ti 0.000 0.000 0.000
Ti 0.500 0.500 0.000
O 0.811 0.311 -0.000
O 0.689 0.811 -0.000
O 0.311 0.189 0.000
O 0.189 0.689 0.000
O 0.250 0.250 0.500
O 0.750 0.750 0.500 |
Below is a description of a material. | The chemical formula is: TiCrCuS4.
The XRD pattern shows main peaks at: 15.5°(0.15), 16.9°(0.49), 27.0°(0.24), 27.7°(0.11), 30.0°(0.39), 33.9°(0.62), 35.0°(0.18), 41.0°(0.13), 42.4°(0.06), 43.7°(1.0), 46.8°(0.18), 52.0°(0.06), 53.1°(0.3), 53.6°(0.49), 64.7°(0.06), 71.5°(0.2), 72.2°(0.06).
Generate atomic structure desc... | JVASP-113823 | 3.45 5.91 11.47
89 90 90
Ti 0.500 0.529 0.255
Ti 0.500 0.471 0.745
Cr -0.000 0.016 0.756
Cr 0.000 0.984 0.244
Cu 0.500 0.500 -0.000
Cu -0.000 0.000 0.500
S 0.500 0.162 0.878
S 0.500 0.838 0.122
S 0.000 0.667 0.381
S -0.000 0.333 0.619
S -0.000 0.667 0.866
S 0.000 0.333 0.134
S 0.500 0.158 0.361
S 0.500 0.842 0.639 |
Below is a description of a material. | The chemical formula is: MgBe2Tc.
The XRD pattern shows main peaks at: 15.8°(1.0), 29.5°(0.81), 32.0°(0.35), 33.6°(0.48), 42.1°(0.45), 44.0°(0.82), 45.3°(0.26), 53.8°(0.31), 58.0°(0.14), 61.1°(0.16), 63.6°(0.09), 66.4°(0.05), 69.3°(0.15), 70.6°(0.13), 71.6°(0.1), 74.7°(0.13), 78.3°(0.27), 82.2°(0.11), 89.3°(0.09).
Gene... | JVASP-68585 | 3.03 3.03 5.60
90 90 90
Mg 0.500 0.500 0.000
Be 0.000 0.000 0.689
Be 0.000 0.000 0.311
Tc 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: LaZn3.
The XRD pattern shows main peaks at: 22.2°(0.08), 36.7°(1.0), 52.9°(0.17), 66.1°(0.32), 78.1°(0.11), 89.6°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-180965 | 4.89 4.89 4.89
119 119 90
La -0.000 0.000 0.000
Zn 0.250 0.750 0.500
Zn 0.750 0.250 0.500
Zn 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: KNaBe2.
The XRD pattern shows main peaks at: 14.8°(0.27), 21.0°(1.0), 29.9°(0.85), 33.5°(0.06), 34.3°(0.14), 40.6°(0.72), 42.7°(0.3), 46.1°(0.23), 48.1°(0.2), 55.9°(0.12), 60.4°(0.4), 62.0°(0.09), 70.3°(0.11), 76.8°(0.09), 80.1°(0.07), 80.7°(0.06), 87.8°(0.07).
Generate atomic structure descrip... | JVASP-71163 | 5.99 5.99 2.61
90 90 89
K 0.500 0.000 0.500
Na -0.000 0.500 0.500
Be 0.000 0.000 0.000
Be 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: Rb2TcBr6.
The XRD pattern shows main peaks at: 14.7°(0.3), 17.0°(0.09), 24.1°(0.07), 29.7°(1.0), 34.4°(0.99), 49.4°(0.71), 58.7°(0.44), 61.6°(0.23), 72.5°(0.1), 80.2°(0.09), 82.7°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-156326 | 7.38 7.38 7.38
60 60 60
Rb 0.250 0.250 0.250
Rb 0.750 0.750 0.750
Tc 0.000 0.000 0.000
Br 0.758 0.242 0.242
Br 0.242 0.758 0.242
Br 0.758 0.758 0.242
Br 0.758 0.242 0.758
Br 0.242 0.758 0.758
Br 0.242 0.242 0.758 |
Below is a description of a material. | The chemical formula is: Sr.
The XRD pattern shows main peaks at: 24.4°(0.2), 25.8°(0.27), 27.7°(1.0), 35.8°(0.16), 43.0°(0.19), 46.7°(0.23), 50.9°(0.21), 51.9°(0.15), 65.3°(0.08), 69.7°(0.14), 70.6°(0.09), 73.3°(0.06), 81.5°(0.09), 84.6°(0.05).
Generate atomic structure description with lattice lengths, angles, coordi... | JVASP-14618 | 4.20 4.20 6.91
90 90 120
Sr 0.667 0.333 0.750
Sr 0.333 0.667 0.250 |
Below is a description of a material. | The chemical formula is: SrSbO2.
The XRD pattern shows main peaks at: 30.0°(1.0), 34.8°(0.72), 50.0°(0.51), 59.4°(0.3), 62.3°(0.19), 73.5°(0.06), 81.2°(0.16), 83.9°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-113719 | 3.64 3.64 5.18
90 90 90
Sr 0.500 0.500 0.524
Sb 0.000 0.000 0.024
O 0.000 0.000 0.424
O 0.500 0.500 0.038 |
Below is a description of a material. | The chemical formula is: BaMnCr2.
The XRD pattern shows main peaks at: 20.3°(0.14), 29.0°(0.13), 35.7°(1.0), 41.3°(0.32), 41.8°(0.15), 46.5°(0.06), 60.2°(0.2), 71.6°(0.23), 72.3°(0.11), 75.6°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-69373 | 4.37 4.37 4.33
90 90 90
Ba 0.000 0.000 0.500
Mn 0.500 0.500 0.500
Cr 0.500 0.000 0.000
Cr 0.000 0.500 0.000 |
Below is a description of a material. | The chemical formula is: Zr4N3.
The XRD pattern shows main peaks at: 33.7°(1.0), 38.9°(0.27), 39.3°(0.54), 56.5°(0.34), 67.2°(0.13), 67.7°(0.28), 71.0°(0.15), 84.5°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-187778 | 4.59 4.59 5.65
113 113 90
Zr 0.500 0.000 0.000
Zr 0.762 0.762 0.525
Zr 0.238 0.238 0.475
Zr 0.000 0.500 0.000
N 0.750 0.250 0.500
N 0.250 0.750 0.500
N 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: As.
The XRD pattern shows main peaks at: 24.4°(0.14), 31.6°(1.0), 42.9°(0.32), 47.7°(0.34), 50.0°(0.18), 58.3°(0.17), 66.1°(0.18), 78.6°(0.15), 88.8°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-822 | 4.26 4.26 4.26
53 53 53
As 0.226 0.226 0.226
As 0.774 0.774 0.774 |
Below is a description of a material. | The chemical formula is: ZrNbO4.
The XRD pattern shows main peaks at: 20.0°(0.94), 31.8°(0.49), 37.9°(1.0), 40.7°(0.06), 52.6°(0.46), 56.7°(0.21), 60.8°(0.23), 66.6°(0.05), 70.3°(0.1), 72.3°(0.18), 81.1°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-118825 | 5.49 5.49 5.63
120 120 34
Zr 0.000 0.000 0.000
Nb 0.500 0.500 0.500
O 0.891 0.891 0.228
O 0.609 0.609 0.279
O 0.391 0.391 0.721
O 0.109 0.109 0.772 |
Below is a description of a material. | The chemical formula is: MnGaFeO4.
The XRD pattern shows main peaks at: 18.5°(0.34), 30.1°(0.44), 30.8°(0.15), 35.5°(1.0), 36.0°(0.72), 37.0°(0.18), 37.6°(0.15), 42.7°(0.2), 43.6°(0.41), 56.6°(0.25), 57.4°(0.23), 57.9°(0.31), 62.7°(0.85), 64.1°(0.18).
Generate atomic structure description with lattice lengths, angles, ... | JVASP-121605 | 5.93 5.93 5.93
119 121 88
Mn 0.127 0.877 0.250
Mn 0.873 0.123 0.750
Ga 0.500 0.500 0.500
Ga 0.500 0.000 0.000
Fe 0.500 0.500 0.000
Fe -0.000 0.500 0.500
O 0.737 0.265 0.028
O 0.737 0.709 0.472
O 0.749 0.268 0.481
O 0.288 0.268 0.019
O 0.263 0.735 0.972
O 0.263 0.291 0.528
O 0.251 0.732 0.519
O 0.712 0.732 0.981 |
Below is a description of a material. | The chemical formula is: NaInO.
The XRD pattern shows main peaks at: 13.7°(1.0), 18.6°(0.38), 19.4°(0.26), 23.2°(0.6), 27.0°(0.24), 27.5°(0.18), 30.9°(0.18), 33.5°(0.22), 36.3°(0.25), 40.4°(0.13), 41.8°(0.08), 42.8°(0.07), 44.2°(0.11), 46.2°(0.13), 47.4°(0.09), 48.4°(0.16), 49.6°(0.09), 50.8°(0.07), 54.6°(0.11), 59.5°(... | JVASP-135251 | 6.48 6.48 4.76
90 90 90
Na 0.355 0.000 0.000
In -0.002 -0.041 0.000
O 0.000 0.279 0.000 |
Below is a description of a material. | The chemical formula is: MoAsPt2.
The XRD pattern shows main peaks at: 24.3°(0.17), 40.2°(1.0), 47.5°(0.09), 58.2°(0.16), 73.1°(0.33), 86.8°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-75600 | 4.49 4.49 4.49
60 60 60
Mo 0.750 0.750 0.750
As 0.500 0.500 0.500
Pt 0.000 0.000 0.000
Pt 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: Li3Ni4O8.
The XRD pattern shows main peaks at: 18.9°(1.0), 36.1°(0.14), 37.0°(0.26), 38.5°(0.13), 43.8°(0.21), 45.1°(0.39), 48.9°(0.11), 59.6°(0.1), 64.4°(0.12), 64.8°(0.11), 66.0°(0.05), 68.2°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types... | JVASP-112758 | 5.01 5.79 5.66
119 90 107
Li 0.000 0.000 -0.000
Li -0.000 0.500 0.000
Li 0.000 0.500 0.500
Ni 0.500 -0.000 0.252
Ni 0.509 0.505 0.252
Ni 0.491 0.495 0.748
Ni 0.500 0.000 0.748
O 0.297 0.749 0.374
O 0.703 0.251 0.626
O 0.283 0.754 0.877
O 0.717 0.246 0.123
O 0.277 0.278 0.898
O 0.277 0.278 0.379
O 0.723 0.722 0.621
O 0.... |
Below is a description of a material. | The chemical formula is: PPd3.
The XRD pattern shows main peaks at: 32.8°(0.41), 34.3°(0.35), 36.3°(0.57), 37.1°(0.65), 38.3°(0.71), 39.1°(0.79), 39.7°(1.0), 42.0°(0.53), 42.6°(0.42), 44.5°(0.32), 47.1°(0.27), 48.5°(0.39), 59.9°(0.28), 64.3°(0.2), 66.6°(0.22), 69.7°(0.5), 71.2°(0.25), 72.4°(0.17), 73.3°(0.26), 74.1°(0.... | JVASP-154315 | 5.29 6.02 7.53
90 90 90
P 0.540 0.382 0.750
P 0.040 0.118 0.250
P 0.460 0.618 0.250
P 0.960 0.882 0.750
Pd 0.835 0.176 0.938
Pd 0.335 0.324 0.062
Pd 0.165 0.824 0.438
Pd 0.665 0.676 0.562
Pd 0.165 0.824 0.062
Pd 0.665 0.676 0.938
Pd 0.835 0.176 0.562
Pd 0.335 0.324 0.438
Pd 0.371 0.024 0.750
Pd 0.871 0.476 0.250
Pd 0.6... |
Below is a description of a material. | The chemical formula is: K3Rb.
The XRD pattern shows main peaks at: 14.9°(0.12), 23.3°(1.0), 26.8°(0.37), 27.2°(0.17), 38.5°(0.26), 45.3°(0.29), 45.7°(0.15), 47.6°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-104585 | 8.08 8.08 8.08
131 131 71
K 0.750 0.250 0.500
K 0.250 0.750 0.500
K 0.500 0.500 -0.000
Rb 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: TaTiPt2.
The XRD pattern shows main peaks at: 22.3°(0.1), 31.6°(0.09), 39.0°(1.0), 45.0°(0.17), 45.6°(0.33), 66.0°(0.22), 66.4°(0.11), 79.0°(0.13), 79.8°(0.26), 83.8°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-190134 | 4.03 3.98 3.98
90 90 90
Ti 0.500 0.500 0.500
Pt 0.000 0.000 0.500
Pt 0.000 0.500 0.000
Ta 0.500 0.000 0.000 |
Below is a description of a material. | The chemical formula is: AgClO3.
The XRD pattern shows main peaks at: 20.8°(0.35), 22.7°(0.11), 25.9°(0.27), 29.6°(0.44), 31.0°(1.0), 37.6°(0.22), 41.9°(0.12), 42.3°(0.27), 47.6°(0.26), 53.3°(0.31).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-5425 | 7.20 7.20 7.20
114 107 107
Ag 0.500 0.750 0.250
Ag 0.000 0.303 0.303
Ag 0.000 0.697 0.697
Ag 0.500 0.250 0.750
Cl 0.455 0.260 0.194
Cl 0.934 0.194 0.740
Cl 0.066 0.806 0.260
Cl 0.545 0.740 0.806
O 0.662 0.905 0.067
O 0.161 0.067 0.405
O 0.319 0.574 0.744
O 0.662 0.595 0.757
O 0.161 0.757 0.095
O 0.839 0.933 0.595
O 0.3... |
Below is a description of a material. | The chemical formula is: La3I.
The XRD pattern shows main peaks at: 26.7°(0.08), 27.9°(0.51), 31.2°(1.0), 32.3°(0.25), 36.2°(0.23), 42.3°(0.08), 47.1°(0.31), 49.3°(0.09), 55.6°(0.07), 57.6°(0.19), 58.2°(0.28), 75.8°(0.06), 77.5°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and ... | JVASP-126161 | 3.86 3.86 11.10
90 90 120
La 0.000 0.000 0.500
La 0.667 0.333 0.766
La 0.333 0.667 0.234
I 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: LaBi.
The XRD pattern shows main peaks at: 23.2°(0.08), 26.8°(1.0), 38.3°(0.83), 47.4°(0.3), 55.3°(0.15), 62.5°(0.4), 69.3°(0.26).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-139268 | 4.70 4.70 8.13
89 73 119
La -0.041 0.931 0.123
La 0.959 0.431 0.623
Bi 0.459 0.681 0.873
Bi 0.459 0.181 0.373 |
Below is a description of a material. | The chemical formula is: NaBeH.
The XRD pattern shows main peaks at: 17.5°(0.77), 28.3°(0.24), 33.4°(1.0), 33.9°(0.55), 35.3°(0.39), 38.4°(0.27), 44.8°(0.13), 45.9°(0.19), 48.4°(0.7), 49.8°(0.29), 54.2°(0.05), 58.3°(0.17), 62.2°(0.13), 65.5°(0.06), 69.4°(0.11), 70.3°(0.09), 72.8°(0.16), 80.4°(0.11), 81.2°(0.13), 82.3°(... | JVASP-134047 | 3.15 5.98 2.64
90 90 58
Na 0.121 0.362 0.000
Be 0.165 -0.182 0.000
H -0.110 0.093 0.000 |
Below is a description of a material. | The chemical formula is: ScSnPd.
The XRD pattern shows main peaks at: 23.6°(0.41), 24.7°(0.3), 28.3°(0.13), 34.5°(1.0), 36.5°(0.4), 37.2°(0.89), 41.6°(0.83), 44.5°(0.66), 48.9°(0.16), 50.7°(0.23), 67.5°(0.33), 67.8°(0.46), 87.6°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and ... | JVASP-87882 | 7.53 7.53 7.21
90 90 120
Sc 0.400 0.015 0.250
Sc 0.615 0.600 0.250
Sc 0.985 0.385 0.250
Sc 0.385 0.985 0.750
Sc 0.600 0.615 0.750
Sc 0.015 0.400 0.750
Sn 0.000 0.724 0.000
Sn 0.000 0.724 0.500
Sn 0.276 0.276 0.500
Sn 0.724 0.000 0.000
Sn 0.724 0.000 0.500
Sn 0.276 0.276 0.000
Pd 0.000 0.000 0.750
Pd 0.667 0.333 0.532
P... |
Below is a description of a material. | The chemical formula is: LuNi2Sn.
The XRD pattern shows main peaks at: 28.0°(0.19), 40.0°(1.0), 49.5°(0.06), 57.8°(0.19), 65.4°(0.09), 72.6°(0.35), 86.2°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-16571 | 4.51 4.51 4.51
60 60 60
Lu 0.500 0.500 0.500
Ni 0.750 0.750 0.750
Ni 0.250 0.250 0.250
Sn 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: NbVF6.
The XRD pattern shows main peaks at: 20.9°(0.09), 23.5°(1.0), 31.9°(0.32), 34.9°(0.11), 39.7°(0.2), 42.5°(0.1), 48.0°(0.17), 52.1°(0.31), 54.9°(0.06), 56.1°(0.13), 60.7°(0.11), 62.5°(0.13), 66.7°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and a... | JVASP-25704 | 5.65 5.65 5.65
54 54 54
Nb 0.500 0.500 0.500
V 0.000 0.000 0.000
F 0.886 0.248 0.620
F 0.248 0.620 0.886
F 0.380 0.114 0.752
F 0.752 0.380 0.114
F 0.114 0.752 0.380
F 0.620 0.886 0.248 |
Below is a description of a material. | The chemical formula is: Cr.
The XRD pattern shows main peaks at: 45.1°(1.0), 65.8°(0.14), 83.3°(0.28).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-14829 | 2.46 2.46 2.46
109 109 109
Cr 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: AcPr3.
The XRD pattern shows main peaks at: 29.1°(1.0), 33.7°(0.44), 48.5°(0.32), 57.5°(0.37), 60.3°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-109500 | 6.50 6.50 6.50
131 131 70
Ac 0.000 0.000 0.000
Pr 0.750 0.250 0.500
Pr 0.250 0.750 0.500
Pr 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: NaS.
The XRD pattern shows main peaks at: 22.3°(1.0), 32.9°(0.42), 39.1°(0.75), 40.0°(0.37), 45.4°(0.14), 51.9°(0.64), 57.2°(0.12), 61.4°(0.1), 70.8°(0.11), 71.4°(0.13), 80.2°(0.16), 82.1°(0.15), 83.9°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and at... | JVASP-135555 | 4.61 4.61 2.73
90 90 120
Na 0.000 0.000 0.000
S 0.333 0.667 0.000 |
Below is a description of a material. | The chemical formula is: Ca2TaO3.
The XRD pattern shows main peaks at: 12.6°(1.0), 25.4°(0.17), 27.9°(0.64), 33.4°(0.97), 38.8°(0.75), 41.0°(0.25), 42.4°(0.23), 47.0°(0.14), 53.6°(0.1), 55.9°(0.51), 57.7°(0.1), 62.5°(0.07), 63.7°(0.12), 66.8°(0.33), 70.1°(0.22), 72.7°(0.1), 83.3°(0.06).
Generate atomic structure descri... | JVASP-120069 | 7.38 3.28 7.38
77 25 77
Ca 0.898 0.572 0.428
Ca 0.572 0.898 0.102
Ta 0.235 0.235 0.765
O 0.396 0.074 0.926
O 0.074 0.396 0.604
O 0.735 0.735 0.265 |
Below is a description of a material. | The chemical formula is: ZnS.
The XRD pattern shows main peaks at: 26.9°(0.94), 28.4°(0.78), 30.0°(0.81), 30.9°(0.52), 38.0°(0.15), 47.4°(1.0), 55.3°(0.1), 57.1°(0.13), 57.6°(0.08), 88.2°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-22574 | 15.90 15.90 15.90
13 13 13
Zn 0.600 0.600 0.600
Zn 0.867 0.867 0.867
Zn 0.467 0.467 0.467
Zn 0.000 0.000 0.000
Zn 0.733 0.733 0.733
S 0.050 0.050 0.050
S 0.783 0.783 0.783
S 0.650 0.650 0.650
S 0.517 0.517 0.517
S 0.917 0.917 0.917 |
Below is a description of a material. | The chemical formula is: PmY.
The XRD pattern shows main peaks at: 15.4°(0.07), 28.4°(0.28), 31.1°(0.25), 32.5°(1.0), 42.6°(0.18), 50.3°(0.2), 56.2°(0.2), 60.3°(0.22), 61.1°(0.15), 78.8°(0.08), 83.0°(0.14), 86.4°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-37889 | 3.63 3.63 5.75
90 90 120
Pm 0.333 0.667 0.500
Y 0.667 0.333 0.000 |
Below is a description of a material. | The chemical formula is: Mg2Sn.
The XRD pattern shows main peaks at: 5.6°(1.0), 22.7°(0.06), 28.4°(0.06), 31.3°(0.1), 31.8°(0.09), 33.4°(0.14), 35.8°(0.4), 39.0°(0.05), 55.7°(0.08), 68.0°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-94355 | 3.30 3.30 15.69
90 90 120
Mg 0.333 0.667 0.919
Mg 0.667 0.333 0.759
Mg 0.333 0.667 0.241
Mg 0.667 0.333 0.081
Sn 0.333 0.667 0.596
Sn 0.667 0.333 0.404 |
Below is a description of a material. | The chemical formula is: VNiO3.
The XRD pattern shows main peaks at: 24.5°(0.35), 33.3°(1.0), 36.5°(0.71), 41.6°(0.21), 50.3°(0.33), 54.5°(0.61), 63.7°(0.29), 65.8°(0.3), 71.5°(0.13), 77.6°(0.08), 83.1°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-100863 | 4.92 5.43 4.92
116 119 63
V 0.646 0.062 0.354
V 0.354 0.938 0.646
Ni 0.850 0.450 0.150
Ni 0.150 0.550 0.850
O 0.268 0.238 0.067
O 0.732 0.762 0.933
O 0.438 0.762 0.268
O 0.562 0.238 0.732
O 0.933 0.238 0.438
O 0.067 0.762 0.562 |
Below is a description of a material. | The chemical formula is: Li2VO2F.
The XRD pattern shows main peaks at: 12.2°(1.0), 24.4°(0.26), 36.9°(0.25), 39.0°(0.16), 44.7°(0.86), 53.2°(0.11), 63.8°(0.27), 66.4°(0.19), 71.9°(0.06), 83.7°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-47962 | 2.82 2.82 7.28
90 90 120
Li 0.333 0.667 0.658
Li 0.667 0.333 0.342
V 0.000 0.000 0.000
O 0.333 0.667 0.164
O 0.667 0.333 0.836
F 0.000 0.000 0.500 |
Below is a description of a material. | The chemical formula is: Li4MnCo3O8.
The XRD pattern shows main peaks at: 19.0°(1.0), 37.1°(0.4), 38.8°(0.14), 45.1°(0.43), 65.8°(0.19), 69.2°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-146766 | 2.84 2.84 18.74
85 85 60
Li 0.625 0.625 0.624
Li 0.375 0.375 0.376
Li 0.124 0.124 0.129
Li 0.876 0.876 0.871
Mn 0.500 0.500 -0.000
Co 0.250 0.250 0.748
Co 0.000 -0.000 0.500
Co 0.750 0.750 0.252
O 0.935 0.935 0.694
O 0.685 0.685 0.445
O 0.435 0.435 0.197
O 0.186 0.186 0.942
O 0.315 0.315 0.555
O 0.065 0.065 0.306
O 0.8... |
Below is a description of a material. | The chemical formula is: AlCl3O6.
The XRD pattern shows main peaks at: 16.2°(0.6), 22.6°(0.11), 27.0°(1.0), 28.0°(0.46), 32.5°(0.17), 35.2°(0.18), 40.2°(0.34), 43.6°(0.27), 57.8°(0.16), 65.6°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-142208 | 6.93 6.93 6.93
103 103 103
Al 0.500 0.500 0.500
Al 0.000 0.000 0.000
Cl 0.250 0.042 0.458
Cl 0.458 0.250 0.042
Cl 0.042 0.458 0.250
Cl 0.750 0.958 0.542
Cl 0.542 0.750 0.958
Cl 0.958 0.542 0.750
O 0.290 0.040 0.033
O 0.967 0.710 0.960
O 0.960 0.967 0.710
O 0.710 0.960 0.967
O 0.790 0.533 0.540
O 0.467 0.460 0.210
O 0.5... |
Below is a description of a material. | The chemical formula is: ScF3.
The XRD pattern shows main peaks at: 24.4°(0.37), 27.8°(1.0), 28.4°(0.21), 44.7°(0.15), 45.9°(0.34), 49.2°(0.21), 51.9°(0.19), 57.5°(0.22), 58.2°(0.13), 58.8°(0.13), 61.4°(0.06), 63.4°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-52824 | 4.22 4.27 3.84
106 123 58
Sc -0.011 0.000 -0.022
F 0.398 0.161 0.452
F 0.054 0.839 0.452
F 0.559 0.500 0.119 |
Below is a description of a material. | The chemical formula is: ZnPdPt.
The XRD pattern shows main peaks at: 23.5°(0.34), 32.4°(0.1), 40.4°(1.0), 41.3°(0.95), 53.4°(0.16), 59.1°(0.3), 67.7°(0.07), 74.7°(0.34), 75.3°(0.15), 82.5°(0.25), 89.8°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-184815 | 4.37 4.37 2.77
90 90 120
Zn 0.667 0.333 0.500
Pd -0.000 0.000 -0.000
Pt 0.333 0.667 0.500 |
Below is a description of a material. | The chemical formula is: ZrTi2CdC.
The XRD pattern shows main peaks at: 19.6°(0.13), 29.6°(0.15), 35.8°(1.0), 39.8°(0.22), 42.4°(0.36), 47.1°(0.06), 50.4°(0.07), 59.5°(0.23), 61.5°(0.11), 69.7°(0.14), 73.2°(0.23), 75.8°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom type... | JVASP-190236 | 4.26 4.26 4.53
90 90 90
C 0.000 0.000 0.000
Ti 0.000 0.500 0.000
Ti 0.500 0.000 0.000
Zr 0.000 0.000 0.500
Cd 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: NbBRh3.
The XRD pattern shows main peaks at: 38.0°(1.0), 44.1°(0.49), 64.2°(0.34), 77.1°(0.37), 81.2°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-109342 | 4.10 4.10 4.10
90 90 90
Nb 0.500 0.500 0.500
B 0.000 0.000 0.000
Rh 0.500 0.000 0.000
Rh 0.000 0.500 0.000
Rh 0.000 0.000 0.500 |
Below is a description of a material. | The chemical formula is: V6O7F5.
The XRD pattern shows main peaks at: 27.1°(0.93), 27.5°(1.0), 35.6°(0.56), 38.8°(0.06), 40.6°(0.22), 41.1°(0.11), 53.1°(0.13), 53.6°(0.46), 54.3°(0.27), 55.8°(0.19), 56.8°(0.18), 61.3°(0.15), 67.7°(0.1), 68.5°(0.28), 89.1°(0.08).
Generate atomic structure description with lattice length... | JVASP-48372 | 4.60 5.51 7.67
85 89 89
V 0.538 0.841 0.649
V 0.502 0.504 0.002
V 0.477 0.166 0.357
V 0.003 0.325 0.696
V 0.991 0.658 0.315
V 0.983 0.002 0.983
O 0.203 0.300 0.909
O 0.306 0.458 0.239
O 0.289 0.132 0.572
O 0.698 0.542 0.765
O 0.791 0.036 0.765
O 0.805 0.709 0.093
O 0.708 0.866 0.426
F 0.206 0.963 0.222
F 0.800 0.364 0.... |
Below is a description of a material. | The chemical formula is: PbBrCl.
The XRD pattern shows main peaks at: 22.3°(1.0), 27.3°(0.84), 29.7°(0.39), 35.7°(0.91), 39.1°(0.57), 39.4°(0.59), 45.5°(0.5), 49.9°(0.15), 56.6°(0.44), 61.5°(0.16), 62.0°(0.21), 63.8°(0.18), 65.4°(0.05), 68.6°(0.27), 71.0°(0.11), 75.2°(0.07), 75.8°(0.22), 84.1°(0.17), 88.2°(0.09), 88.7°... | JVASP-115683 | 4.61 4.61 7.91
90 90 90
Pb 0.000 0.500 0.765
Pb 0.500 0.000 0.235
Br 0.500 0.000 0.638
Br 0.000 0.500 0.362
Cl 0.500 0.500 0.000
Cl 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: LaH3.
The XRD pattern shows main peaks at: 27.7°(1.0), 31.8°(0.16), 32.2°(0.33), 45.9°(0.26), 54.2°(0.15), 54.7°(0.28), 57.2°(0.13), 74.0°(0.11), 75.9°(0.05), 76.6°(0.06), 85.4°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-39153 | 3.95 3.95 3.95
120 120 89
La 0.000 0.000 0.000
H 0.750 0.250 0.500
H 0.250 0.750 0.500
H 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: Al2CdSe4.
The XRD pattern shows main peaks at: 23.0°(0.55), 27.1°(0.4), 28.3°(0.89), 32.8°(0.41), 43.0°(0.54), 47.0°(1.0), 68.7°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-9440 | 7.73 7.73 7.73
60 60 60
Al 0.500 0.000 0.500
Al -0.000 0.500 0.500
Al 0.500 0.500 0.500
Al 0.500 0.500 -0.000
Cd 0.875 0.875 0.875
Cd 0.125 0.125 0.125
Se 0.264 0.264 0.709
Se 0.736 0.736 0.736
Se 0.264 0.264 0.264
Se 0.736 0.736 0.291
Se 0.291 0.736 0.736
Se 0.736 0.291 0.736
Se 0.709 0.264 0.264
Se 0.264 0.709 0.264 |
Below is a description of a material. | The chemical formula is: Sr2Pr2CrNiO8.
The XRD pattern shows main peaks at: 17.9°(0.05), 21.7°(0.08), 24.4°(0.17), 28.3°(0.11), 31.7°(1.0), 33.2°(0.56), 43.0°(0.27), 44.2°(0.26), 47.7°(0.35), 55.5°(0.11), 56.5°(0.15), 58.5°(0.28), 66.2°(0.12), 69.7°(0.06), 78.8°(0.11), 79.5°(0.07).
Generate atomic structure description... | JVASP-168936 | 5.38 5.40 6.85
90 66 90
Sr 0.855 0.500 0.290
Sr 0.644 0.000 0.711
Pr 0.363 0.000 0.275
Pr 0.138 0.500 0.725
Cr 0.502 0.500 0.996
Ni 0.999 0.000 0.003
O 0.747 0.255 0.000
O 0.253 0.745 0.000
O 0.253 0.255 0.000
O 0.747 0.745 0.000
O 0.177 0.000 0.645
O 0.659 0.500 0.682
O 0.329 0.500 0.342
O 0.834 0.000 0.331 |
Below is a description of a material. | The chemical formula is: NbIr3.
The XRD pattern shows main peaks at: 27.0°(0.05), 37.1°(0.26), 40.1°(0.28), 42.3°(1.0), 55.8°(0.16), 66.8°(0.19), 74.4°(0.2), 80.9°(0.23), 82.4°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-101006 | 5.60 5.60 4.49
90 90 120
Nb 0.333 0.667 0.750
Nb 0.667 0.333 0.250
Ir 0.164 0.328 0.250
Ir 0.672 0.836 0.250
Ir 0.164 0.836 0.250
Ir 0.836 0.672 0.750
Ir 0.328 0.164 0.750
Ir 0.836 0.164 0.750 |
Below is a description of a material. | The chemical formula is: Al6GeW.
The XRD pattern shows main peaks at: 17.6°(0.31), 25.0°(0.93), 30.7°(0.1), 35.6°(0.48), 40.0°(0.31), 44.0°(1.0), 51.2°(0.14), 54.6°(0.08), 57.8°(0.2), 60.9°(0.05), 66.9°(0.07), 69.8°(0.48), 75.4°(0.09), 80.8°(0.11), 86.2°(0.15), 88.9°(0.07).
Generate atomic structure description with la... | JVASP-190784 | 5.04 5.04 5.04
90 90 90
Al 0.245 -0.000 0.500
Al 0.755 -0.000 0.500
Al 0.500 0.245 0.000
Al 0.500 0.755 0.000
Al 0.000 0.500 0.245
Al 0.000 0.500 0.755
Ge 0.500 0.500 0.500
W 0.000 -0.000 0.000 |
Below is a description of a material. | The chemical formula is: TaNbTcRu.
The XRD pattern shows main peaks at: 13.9°(0.08), 40.1°(1.0), 58.0°(0.12), 72.8°(0.28), 86.5°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-188910 | 3.18 3.18 6.38
90 90 90
Ta 0.500 0.500 0.604
Nb 0.500 0.500 0.113
Tc 0.000 0.000 0.360
Ru -0.000 0.000 0.850 |
Below is a description of a material. | The chemical formula is: ZnAsRh.
The XRD pattern shows main peaks at: 24.0°(0.07), 29.8°(0.15), 38.6°(0.96), 42.2°(1.0), 52.5°(0.19), 58.5°(0.28), 62.0°(0.1), 74.8°(0.28), 77.1°(0.15), 77.9°(0.29).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-183517 | 4.28 4.28 2.99
90 90 120
Zn -0.000 -0.000 0.000
As 0.333 0.667 0.500
Rh 0.667 0.333 0.500 |
Below is a description of a material. | The chemical formula is: TaNbTc2.
The XRD pattern shows main peaks at: 24.2°(0.07), 40.0°(1.0), 57.8°(0.15), 72.6°(0.3), 86.3°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-191463 | 4.51 4.51 4.51
60 60 60
Nb 0.000 0.000 0.000
Tc 0.250 0.250 0.250
Tc 0.750 0.750 0.750
Ta 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: CoSe.
The XRD pattern shows main peaks at: 28.6°(0.08), 33.4°(1.0), 45.2°(0.88), 50.6°(0.6), 60.8°(0.16), 62.0°(0.16), 70.2°(0.21), 72.1°(0.07), 82.9°(0.07), 84.1°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-14710 | 3.61 3.61 5.24
90 90 120
Co 0.000 0.000 0.000
Co 0.000 0.000 0.500
Se 0.333 0.667 0.250
Se 0.667 0.333 0.750 |
Below is a description of a material. | The chemical formula is: TiZnN2.
The XRD pattern shows main peaks at: 31.5°(0.47), 34.2°(0.38), 35.9°(1.0), 47.1°(0.21), 56.0°(0.33), 62.3°(0.3), 67.3°(0.27), 68.3°(0.13), 88.7°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-36580 | 5.25 5.69 6.57
90 90 90
Ti 0.996 0.083 0.626
Ti 0.496 0.917 0.374
Ti 0.996 0.583 0.874
Ti 0.496 0.417 0.126
Zn 0.998 0.087 0.124
Zn 0.498 0.913 0.876
Zn 0.998 0.587 0.376
Zn 0.498 0.413 0.624
N 0.391 0.090 0.135
N 0.891 0.910 0.865
N 0.391 0.590 0.365
N 0.891 0.410 0.635
N 0.366 0.070 0.615
N 0.866 0.930 0.385
N 0.366 ... |
Below is a description of a material. | The chemical formula is: ZnSiO3.
The XRD pattern shows main peaks at: 25.2°(0.1), 35.9°(1.0), 44.4°(0.38), 51.7°(0.49), 58.3°(0.05), 64.5°(0.35), 76.1°(0.27), 87.1°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-36615 | 3.54 3.54 3.54
90 90 90
Zn 0.000 0.000 0.000
Si 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: NdP3.
The XRD pattern shows main peaks at: 18.1°(0.32), 23.9°(0.7), 31.4°(0.16), 35.4°(0.26), 36.5°(1.0), 45.1°(0.26), 49.0°(0.15), 51.6°(0.17), 58.6°(0.13), 59.5°(0.24), 65.6°(0.09), 66.0°(0.17), 71.2°(0.07), 77.5°(0.27).
Generate atomic structure description with lattice lengths, angles, coor... | JVASP-38160 | 5.66 5.66 5.66
138 138 60
Nd 0.000 0.000 0.000
P 0.750 0.250 0.500
P 0.250 0.750 0.500
P 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: CrO3.
The XRD pattern shows main peaks at: 17.7°(0.63), 31.5°(0.12), 32.8°(1.0), 35.7°(0.1), 41.7°(0.05), 56.0°(0.41), 59.2°(0.12), 66.5°(0.1), 68.3°(0.08), 83.3°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-16917 | 3.28 3.28 10.05
90 90 119
Cr 0.667 0.333 0.750
Cr 0.333 0.667 0.250
O 0.333 0.667 0.417
O 0.667 0.333 0.917
O 0.667 0.333 0.583
O 0.333 0.667 0.083
O 0.000 0.000 0.250
O 0.000 0.000 0.750 |
Below is a description of a material. | The chemical formula is: Li2ZrF3.
The XRD pattern shows main peaks at: 10.6°(1.0), 21.3°(0.22), 32.2°(0.06), 35.1°(0.24), 36.8°(0.38), 41.5°(0.68), 43.4°(0.1), 48.4°(0.19), 57.0°(0.17), 63.1°(0.13), 64.1°(0.06), 78.3°(0.1), 79.6°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-179372 | 2.95 2.95 8.35
90 90 120
Li 0.333 0.667 0.137
Li 0.667 0.333 0.863
Zr -0.000 -0.000 0.500
F 0.333 0.667 0.730
F 0.667 0.333 0.270
F -0.000 -0.000 -0.000 |
Below is a description of a material. | The chemical formula is: Li5GeAs3.
The XRD pattern shows main peaks at: 14.0°(0.2), 18.2°(0.24), 20.7°(0.14), 21.7°(0.12), 25.3°(1.0), 25.7°(0.88), 29.5°(0.22), 41.7°(0.26), 42.3°(0.7), 42.8°(0.23), 49.8°(0.22), 50.2°(0.27), 61.4°(0.09), 76.9°(0.07), 77.8°(0.07).
Generate atomic structure description with lattice lengt... | JVASP-133117 | 7.34 7.34 8.66
73 73 48
Li 0.587 0.078 0.086
Li 0.078 0.587 0.586
Li 0.920 0.405 0.927
Li 0.080 0.595 0.073
Li 0.747 0.253 0.250
Li 0.413 0.922 0.914
Li 0.922 0.413 0.414
Li 0.595 0.080 0.573
Li 0.253 0.747 0.750
Li 0.405 0.920 0.427
Ge 0.237 0.763 0.250
Ge 0.763 0.237 0.750
As 0.822 0.852 0.826
As 0.148 0.178 0.674
As... |
Below is a description of a material. | The chemical formula is: Sb2O3.
The XRD pattern shows main peaks at: 13.7°(0.11), 27.7°(1.0), 32.0°(0.39), 45.9°(0.42), 54.5°(0.43), 57.1°(0.13), 67.0°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-18987 | 7.90 7.90 7.90
60 60 60
Sb 0.275 0.742 0.742
Sb 0.258 0.725 0.258
Sb 0.258 0.258 0.725
Sb 0.742 0.275 0.742
Sb 0.742 0.742 0.275
Sb 0.742 0.742 0.742
Sb 0.725 0.258 0.258
Sb 0.258 0.258 0.258
O 0.185 0.565 0.565
O 0.565 0.565 0.185
O 0.815 0.435 0.435
O 0.185 0.565 0.185
O 0.565 0.185 0.565
O 0.815 0.435 0.815
O 0.815 ... |
Below is a description of a material. | The chemical formula is: ScU3Sb5.
The XRD pattern shows main peaks at: 11.2°(0.13), 19.5°(0.1), 24.3°(0.25), 28.9°(0.28), 33.3°(0.9), 34.0°(0.83), 35.1°(1.0), 37.0°(0.1), 43.8°(0.39), 45.3°(0.12), 49.7°(0.21), 54.1°(0.23), 59.9°(0.11), 61.8°(0.17), 64.2°(0.08), 66.5°(0.14), 70.7°(0.2).
Generate atomic structure descrip... | JVASP-21869 | 9.12 9.12 6.18
90 90 120
Sc 0.000 0.000 0.000
Sc 0.000 0.000 0.500
U 0.388 -0.000 0.250
U 0.000 0.612 0.750
U 0.388 0.388 0.750
U 0.612 0.612 0.250
U -0.000 0.388 0.250
U 0.612 0.000 0.750
Sb 0.000 0.730 0.250
Sb 0.270 -0.000 0.750
Sb 0.333 0.667 0.000
Sb 0.667 0.333 0.500
Sb 0.333 0.667 0.500
Sb 0.730 0.000 0.250
Sb 0... |
Below is a description of a material. | The chemical formula is: KAcTe2.
The XRD pattern shows main peaks at: 18.8°(0.28), 30.9°(1.0), 36.4°(0.15), 44.3°(0.19), 48.5°(0.08), 55.0°(0.41), 58.7°(0.06), 64.5°(0.12), 67.8°(0.06), 73.2°(0.17), 89.8°(0.2).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-40948 | 5.78 5.78 5.78
60 60 60
K 0.750 0.750 0.750
Ac 0.250 0.250 0.250
Te 0.500 0.500 0.500
Te 0.000 0.000 0.000 |
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