instruction stringclasses 1
value | input stringlengths 172 433 | id stringlengths 7 12 | output stringlengths 43 458 |
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Below is a description of a material. | The chemical formula is: Dy2InAu2.
The XRD pattern shows main peaks at: 15.8°(0.13), 31.9°(0.05), 33.0°(0.15), 35.0°(1.0), 35.8°(0.42), 41.0°(0.09), 43.5°(0.06), 45.7°(0.07), 48.1°(0.09), 49.0°(0.13), 53.6°(0.09), 62.2°(0.16), 65.0°(0.08), 68.5°(0.16), 82.5°(0.09).
Generate atomic structure description with lattice len... | JVASP-12394 | 7.93 7.93 3.72
90 90 90
Dy 0.331 0.831 0.500
Dy 0.831 0.669 0.500
Dy 0.669 0.169 0.500
Dy 0.169 0.331 0.500
In 0.500 0.500 0.000
In 0.000 0.000 0.000
Au 0.130 0.630 0.000
Au 0.630 0.870 0.000
Au 0.370 0.130 0.000
Au 0.870 0.370 0.000 |
Below is a description of a material. | The chemical formula is: Ba2S.
The XRD pattern shows main peaks at: 18.1°(0.34), 22.5°(0.72), 29.0°(0.24), 31.5°(0.8), 39.1°(1.0), 43.4°(0.08), 45.9°(0.1), 54.6°(0.08), 56.2°(0.17), 56.8°(0.33), 61.3°(0.26), 65.9°(0.1), 70.6°(0.17), 75.4°(0.14), 80.4°(0.12), 84.0°(0.11).
Generate atomic structure description with latti... | JVASP-182557 | 5.67 5.67 3.95
90 90 120
Ba 0.333 0.667 -0.000
Ba 0.667 0.333 0.000
S 0.000 -0.000 0.000 |
Below is a description of a material. | The chemical formula is: SrB2Rh2.
The XRD pattern shows main peaks at: 19.3°(0.23), 25.2°(0.1), 30.6°(1.0), 33.6°(0.07), 34.0°(0.1), 35.2°(0.97), 38.1°(0.4), 41.1°(0.5), 46.1°(0.2), 49.4°(0.14), 53.0°(0.21), 54.0°(0.15), 57.3°(0.15), 60.3°(0.16), 61.2°(0.11), 67.0°(0.17), 70.5°(0.07), 74.4°(0.11), 81.3°(0.15), 83.1°(0.... | JVASP-86987 | 5.61 5.61 6.14
105 105 114
Sr 0.875 0.125 0.250
Sr 0.125 0.875 0.750
B 0.547 0.453 0.250
B 0.797 0.203 0.750
B 0.203 0.797 0.250
B 0.453 0.547 0.750
Rh 0.506 0.756 0.512
Rh 0.756 0.506 0.012
Rh 0.494 0.244 0.488
Rh 0.244 0.494 0.988 |
Below is a description of a material. | The chemical formula is: InAu3.
The XRD pattern shows main peaks at: 29.0°(0.34), 37.5°(1.0), 47.5°(0.1), 51.4°(0.27), 56.7°(0.1), 65.4°(0.18), 72.6°(0.19), 87.7°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-103088 | 3.55 3.55 7.65
90 90 120
In 0.667 0.333 0.000
Au 0.667 0.333 0.500
Au 0.333 0.667 0.251
Au 0.333 0.667 0.749 |
Below is a description of a material. | The chemical formula is: ZnSN2.
The XRD pattern shows main peaks at: 19.0°(0.18), 29.5°(0.17), 35.3°(1.0), 38.6°(0.33), 42.2°(0.73), 46.7°(0.09), 49.3°(0.14), 58.5°(0.36), 61.2°(0.21), 67.8°(0.24), 72.7°(0.25), 74.7°(0.15), 82.3°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-135485 | 3.03 3.03 4.66
90 90 90
Zn 0.500 0.500 0.548
S 0.000 0.000 0.069
N 0.000 0.000 0.410
N 0.500 0.500 0.983 |
Below is a description of a material. | The chemical formula is: Ni6SnSb.
The XRD pattern shows main peaks at: 25.8°(0.06), 26.7°(0.07), 28.7°(0.06), 39.2°(0.17), 39.8°(0.16), 42.3°(0.37), 44.8°(1.0), 45.3°(0.38), 59.1°(0.1), 59.5°(0.09), 70.8°(0.07), 71.9°(0.13), 79.1°(0.17), 86.0°(0.09), 87.1°(0.17), 88.1°(0.11), 89.5°(0.07).
Generate atomic structure desc... | JVASP-107298 | 4.27 4.53 5.33
90 90 90
Ni 0.500 0.171 0.747
Ni 0.500 0.171 0.253
Ni 0.000 0.828 0.749
Ni 0.000 0.828 0.251
Ni 0.000 0.309 0.500
Ni 0.500 0.693 0.000
Sn 0.000 0.325 0.000
Sb 0.500 0.674 0.500 |
Below is a description of a material. | The chemical formula is: RbHO2.
The XRD pattern shows main peaks at: 16.4°(0.94), 24.5°(1.0), 29.6°(0.87), 33.1°(0.25), 34.9°(0.83), 38.8°(0.43), 41.6°(0.94), 48.8°(0.3), 50.2°(0.25), 53.1°(0.18), 56.6°(0.2), 57.0°(0.16), 59.3°(0.25), 61.4°(0.16), 62.9°(0.09), 67.1°(0.39), 79.3°(0.14), 80.1°(0.11), 84.2°(0.1), 86.5°(0.... | JVASP-186582 | 3.64 3.64 5.41
90 90 90
Rb 0.500 0.500 0.473
H 0.000 -0.000 0.879
O -0.000 -0.000 0.699
O 0.500 0.500 0.959 |
Below is a description of a material. | The chemical formula is: La2VReO6.
The XRD pattern shows main peaks at: 19.5°(0.17), 32.1°(1.0), 37.8°(0.11), 46.0°(0.3), 50.4°(0.05), 57.2°(0.38), 67.1°(0.18), 76.3°(0.18), 85.2°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-151696 | 5.58 5.58 5.58
60 60 60
La 0.250 0.250 0.250
La 0.750 0.750 0.750
V 0.000 0.000 0.000
Re 0.500 0.500 0.500
O 0.755 0.245 0.245
O 0.245 0.755 0.755
O 0.755 0.755 0.245
O 0.245 0.245 0.755
O 0.755 0.245 0.755
O 0.245 0.755 0.245 |
Below is a description of a material. | The chemical formula is: LaAgSb2.
The XRD pattern shows main peaks at: 25.9°(0.13), 31.9°(0.09), 32.9°(1.0), 38.9°(0.07), 40.6°(0.36), 46.6°(0.1), 53.3°(0.13), 58.8°(0.11), 63.5°(0.07), 69.0°(0.26).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-91843 | 4.44 4.44 10.85
90 90 90
La 0.750 0.750 0.260
La 0.250 0.250 0.740
Ag 0.750 0.250 0.000
Ag 0.250 0.750 0.000
Sb 0.750 0.750 0.828
Sb 0.250 0.250 0.172
Sb 0.750 0.250 0.500
Sb 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: TiSbO2.
The XRD pattern shows main peaks at: 11.3°(0.29), 22.8°(0.67), 30.7°(0.12), 32.8°(1.0), 34.4°(0.06), 38.5°(0.26), 43.9°(0.35), 45.5°(0.05), 46.8°(0.3), 50.0°(0.33), 56.9°(0.06), 63.8°(0.1), 65.8°(0.14), 68.1°(0.14), 68.7°(0.12), 73.6°(0.18), 77.1°(0.06), 82.7°(0.14).
Generate atomic str... | JVASP-183414 | 2.92 2.92 7.82
90 90 90
Ti 0.500 0.500 0.420
Sb -0.000 0.000 0.912
O -0.000 0.000 0.470
O 0.500 0.500 0.208 |
Below is a description of a material. | The chemical formula is: HgTe.
The XRD pattern shows main peaks at: 13.4°(0.13), 27.1°(0.57), 28.8°(1.0), 31.9°(0.08), 39.9°(0.76), 41.2°(0.39), 50.0°(0.45), 55.8°(0.08), 59.7°(0.13), 64.0°(0.21), 66.7°(0.18), 67.6°(0.18), 71.7°(0.15), 74.3°(0.25), 86.2°(0.1).
Generate atomic structure description with lattice lengths,... | JVASP-136806 | 3.10 3.10 6.59
90 90 90
Hg 0.000 0.000 0.750
Te 0.000 0.000 0.250 |
Below is a description of a material. | The chemical formula is: LiMnF3.
The XRD pattern shows main peaks at: 18.6°(0.98), 25.2°(0.34), 31.5°(0.4), 34.0°(0.35), 40.7°(0.12), 41.5°(0.13), 42.9°(0.23), 43.6°(1.0), 46.0°(0.23), 49.2°(0.07), 50.3°(0.52), 51.8°(0.13), 55.5°(0.06), 57.7°(0.2), 59.0°(0.24), 62.3°(0.16), 64.3°(0.19), 71.5°(0.08), 80.8°(0.08), 81.3°(... | JVASP-109908 | 4.99 4.99 7.06
90 90 145
Li 0.000 0.000 0.000
Li 0.000 0.000 0.500
Mn 0.748 0.252 0.250
Mn 0.252 0.748 0.750
F 0.642 0.358 0.568
F 0.911 0.089 0.750
F 0.642 0.358 0.932
F 0.358 0.642 0.432
F 0.358 0.642 0.068
F 0.089 0.911 0.250 |
Below is a description of a material. | The chemical formula is: UB2O6.
The XRD pattern shows main peaks at: 16.7°(0.77), 18.2°(0.6), 20.6°(0.96), 23.1°(1.0), 26.9°(0.52), 28.6°(0.34), 30.4°(0.61), 33.9°(0.13), 34.9°(0.4), 38.8°(0.2), 41.8°(0.22), 42.8°(0.34), 43.8°(0.35), 46.6°(0.17), 47.2°(0.15), 48.3°(0.16), 49.6°(0.14), 51.8°(0.14), 53.6°(0.16), 55.4°(0.... | JVASP-150145 | 5.54 5.54 5.58
73 73 44
U 0.048 0.952 -0.000
B 0.838 0.561 0.602
B 0.439 0.162 0.398
O 0.922 0.842 0.816
O 0.158 0.078 0.184
O 0.623 0.565 0.792
O 0.435 0.377 0.208
O 0.184 0.246 0.600
O 0.754 0.816 0.400 |
Below is a description of a material. | The chemical formula is: DyIn2Ni.
The XRD pattern shows main peaks at: 25.4°(0.06), 33.1°(1.0), 34.4°(0.08), 35.3°(0.45), 36.6°(0.22), 40.6°(0.19), 41.4°(0.15), 41.8°(0.26), 42.5°(0.09), 43.3°(0.09), 49.5°(0.07), 56.7°(0.12), 58.8°(0.06), 59.7°(0.13), 62.3°(0.13), 66.4°(0.13), 70.8°(0.1), 73.2°(0.09), 74.7°(0.06), 87.2... | JVASP-91601 | 4.32 5.64 7.36
90 90 112
Dy 0.432 0.863 0.250
Dy 0.568 0.137 0.750
In 0.142 0.285 0.452
In 0.858 0.715 0.548
In 0.142 0.285 0.048
In 0.858 0.715 0.952
Ni 0.712 0.424 0.250
Ni 0.288 0.576 0.750 |
Below is a description of a material. | The chemical formula is: SmCoC2.
The XRD pattern shows main peaks at: 24.5°(0.28), 29.4°(0.18), 34.6°(1.0), 38.4°(0.23), 39.8°(0.16), 49.3°(0.22), 50.3°(0.12), 55.7°(0.13), 56.5°(0.14), 58.4°(0.06), 65.1°(0.08), 66.6°(0.07), 69.0°(0.12), 72.2°(0.1), 73.0°(0.08), 80.5°(0.09), 82.5°(0.08), 84.3°(0.06).
Generate atomic st... | JVASP-37091 | 3.70 3.78 3.78
106 90 90
Sm 0.000 0.004 0.996
Co 0.500 0.387 0.613
C 0.500 0.848 0.454
C 0.500 0.546 0.152 |
Below is a description of a material. | The chemical formula is: Be2NbGe.
The XRD pattern shows main peaks at: 27.6°(1.0), 41.3°(0.33), 42.4°(0.76), 43.2°(0.2), 52.1°(0.21), 60.0°(0.23), 61.3°(0.1), 68.6°(0.15), 70.0°(0.18), 76.9°(0.06), 78.7°(0.13), 84.6°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-74928 | 4.87 4.87 4.87
137 137 61
Be 0.000 0.000 0.000
Be 0.250 0.750 0.500
Nb 0.750 0.250 0.500
Ge 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: Ti2O3.
The XRD pattern shows main peaks at: 12.3°(0.5), 17.7°(0.25), 19.6°(1.0), 24.8°(0.18), 27.7°(0.23), 32.4°(0.21), 33.4°(0.26), 34.9°(0.65), 35.9°(0.37), 38.3°(0.22), 39.1°(0.37), 45.4°(0.3), 47.2°(0.32), 48.1°(0.2), 49.4°(0.66), 54.9°(0.39), 56.9°(0.13), 57.7°(0.13), 61.9°(0.24), 62.9°(0.... | JVASP-109828 | 3.00 5.10 7.32
78 90 90
Ti 0.750 0.837 0.655
Ti 0.750 0.735 0.024
Ti 0.250 0.265 0.976
Ti 0.250 0.163 0.345
O 0.250 0.938 0.844
O 0.250 0.785 0.498
O 0.750 0.483 0.831
O 0.250 0.517 0.169
O 0.750 0.215 0.502
O 0.750 0.062 0.156 |
Below is a description of a material. | The chemical formula is: Os2O3.
The XRD pattern shows main peaks at: 18.2°(1.0), 22.7°(0.35), 33.8°(0.11), 34.7°(0.58), 38.8°(0.68), 42.3°(0.23), 43.2°(0.52), 46.4°(0.22), 51.5°(0.29), 57.9°(0.22), 61.9°(0.3), 67.9°(0.07), 72.4°(0.1), 74.2°(0.16), 75.0°(0.08), 78.6°(0.13), 83.4°(0.07).
Generate atomic structure descrip... | JVASP-184735 | 2.76 4.27 5.50
112 104 90
Os 0.810 0.759 0.619
Os 0.190 0.140 0.381
O 0.623 0.393 0.245
O 0.377 0.148 0.755
O -0.000 0.810 -0.000 |
Below is a description of a material. | The chemical formula is: LiSiAg2.
The XRD pattern shows main peaks at: 25.2°(0.43), 30.0°(0.56), 39.5°(1.0), 42.9°(0.4), 50.4°(0.26), 51.7°(0.1), 60.9°(0.14), 62.3°(0.12), 68.3°(0.09), 69.3°(0.17), 70.6°(0.09), 76.3°(0.27), 85.1°(0.1), 89.3°(0.09).
Generate atomic structure description with lattice lengths, angles, coo... | JVASP-101163 | 4.22 4.22 3.54
90 90 90
Li 0.500 0.500 0.000
Si 0.000 0.000 0.000
Ag 0.000 0.500 0.500
Ag 0.500 0.000 0.500 |
Below is a description of a material. | The chemical formula is: Ba4ZrP.
The XRD pattern shows main peaks at: 15.6°(0.45), 25.6°(0.1), 30.1°(1.0), 31.5°(0.73), 36.6°(0.2), 40.0°(0.14), 48.1°(0.4), 52.7°(0.37), 55.3°(0.1), 61.9°(0.14), 62.7°(0.31), 65.8°(0.05), 68.1°(0.06), 74.1°(0.24), 77.7°(0.06), 85.5°(0.07), 86.3°(0.06).
Generate atomic structure descript... | JVASP-63994 | 6.95 6.95 6.95
60 60 60
Ba 0.128 0.624 0.624
Ba 0.624 0.624 0.624
Ba 0.624 0.128 0.624
Ba 0.624 0.624 0.128
Zr 0.000 0.000 0.000
P 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: LaHO2.
The XRD pattern shows main peaks at: 20.2°(0.73), 23.6°(1.0), 31.3°(0.54), 33.6°(0.67), 39.5°(0.51), 41.1°(0.17), 47.9°(0.32), 48.2°(0.22), 52.8°(0.22), 54.1°(0.3), 58.6°(0.22), 65.2°(0.16), 68.8°(0.08), 70.4°(0.2), 73.8°(0.07), 74.3°(0.08), 80.5°(0.09), 84.1°(0.11), 85.1°(0.08), 88.4°(0... | JVASP-118449 | 3.77 3.77 4.39
90 90 90
La 0.500 0.500 0.537
H 0.000 0.000 0.827
O 0.000 0.000 0.602
O 0.500 0.500 0.044 |
Below is a description of a material. | The chemical formula is: OF2.
The XRD pattern shows main peaks at: 16.9°(0.99), 23.3°(0.88), 34.1°(1.0), 34.8°(0.94), 38.9°(0.22), 41.7°(0.28), 42.3°(0.3), 49.5°(0.55), 51.0°(0.31), 55.4°(0.2), 63.2°(0.28), 71.9°(0.06), 73.4°(0.14), 77.2°(0.08), 82.4°(0.07), 83.9°(0.09), 87.6°(0.1).
Generate atomic structure descriptio... | JVASP-135747 | 3.81 5.26 2.58
90 90 90
O 0.000 0.456 0.000
F 0.192 0.956 0.000
F 0.808 0.956 0.000 |
Below is a description of a material. | The chemical formula is: Hf3B.
The XRD pattern shows main peaks at: 33.0°(0.99), 33.4°(1.0), 38.4°(0.68), 55.0°(0.13), 55.7°(0.5), 65.9°(0.29), 66.5°(0.41), 69.3°(0.13), 70.1°(0.12), 82.3°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-180056 | 4.65 5.70 3.34
107 89 65
Hf 0.021 0.209 0.193
Hf 0.686 0.878 0.528
Hf 0.356 0.539 0.859
B 0.521 0.209 0.193 |
Below is a description of a material. | The chemical formula is: YbAlNi.
The XRD pattern shows main peaks at: 15.3°(0.15), 21.8°(0.35), 26.7°(0.33), 30.9°(0.33), 34.7°(1.0), 38.1°(0.96), 41.2°(0.28), 44.5°(0.23), 47.1°(0.31), 52.6°(0.11), 55.1°(0.14), 57.4°(0.22), 62.1°(0.43), 66.7°(0.09), 75.3°(0.32), 77.6°(0.12), 87.5°(0.1).
Generate atomic structure descr... | JVASP-150331 | 6.69 6.69 4.08
90 90 120
Yb 0.583 -0.000 0.500
Yb -0.000 0.583 0.500
Yb 0.417 0.417 0.500
Al 0.236 0.000 0.000
Al 0.000 0.236 0.000
Al 0.764 0.764 0.000
Ni 0.333 0.667 0.000
Ni 0.667 0.333 0.000
Ni 0.000 0.000 0.500 |
Below is a description of a material. | The chemical formula is: AgCNO.
The XRD pattern shows main peaks at: 15.9°(1.0), 25.2°(0.99), 29.5°(0.15), 30.4°(0.13), 32.2°(0.21), 34.1°(0.53), 34.5°(0.65), 39.9°(0.66), 44.8°(0.24), 46.3°(0.34), 47.6°(0.19), 49.0°(0.17), 51.8°(0.1), 57.5°(0.19), 58.8°(0.11), 61.2°(0.19), 68.5°(0.13), 69.2°(0.1), 72.1°(0.11), 73.9°(0... | JVASP-8106 | 3.72 5.87 5.88
90 90 108
Ag 0.000 0.000 0.500
Ag 0.000 0.000 0.000
C 0.859 0.719 0.250
C 0.141 0.281 0.750
N 0.247 0.494 0.750
N 0.753 0.506 0.250
O 0.358 0.717 0.750
O 0.642 0.283 0.250 |
Below is a description of a material. | The chemical formula is: BaSiPt.
The XRD pattern shows main peaks at: 18.7°(0.09), 22.9°(0.25), 29.8°(1.0), 32.7°(0.91), 40.3°(0.13), 42.6°(0.12), 44.8°(0.15), 48.9°(0.12), 50.9°(0.6), 54.7°(0.16), 56.5°(0.14), 60.1°(0.13), 63.5°(0.19), 68.4°(0.07), 71.7°(0.08), 73.2°(0.09), 76.4°(0.19), 77.9°(0.07), 81.0°(0.07).
Gener... | JVASP-121398 | 6.71 6.71 6.71
90 90 90
Ba 0.883 0.883 0.883
Ba 0.617 0.117 0.383
Ba 0.117 0.383 0.617
Ba 0.383 0.617 0.117
Si 0.595 0.595 0.595
Si 0.905 0.405 0.095
Si 0.405 0.095 0.905
Si 0.095 0.905 0.405
Pt 0.157 0.157 0.157
Pt 0.343 0.843 0.657
Pt 0.843 0.657 0.343
Pt 0.657 0.343 0.843 |
Below is a description of a material. | The chemical formula is: TaBe2Rh.
The XRD pattern shows main peaks at: 26.2°(1.0), 30.4°(0.07), 43.5°(0.9), 51.5°(0.5), 63.2°(0.14), 69.6°(0.18), 79.9°(0.27), 85.8°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-72972 | 4.16 4.16 4.16
120 120 89
Ta 0.750 0.250 0.500
Be 0.000 0.000 0.000
Be 0.250 0.750 0.500
Rh 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: Ca6HfO8.
The XRD pattern shows main peaks at: 16.1°(1.0), 18.6°(0.11), 26.4°(0.11), 31.0°(0.48), 32.4°(0.42), 37.6°(0.71), 41.2°(0.17), 42.3°(0.06), 49.6°(0.21), 54.3°(0.47), 57.0°(0.22), 63.9°(0.06), 64.7°(0.22), 67.9°(0.13), 70.3°(0.12), 76.6°(0.1), 80.4°(0.06).
Generate atomic structure desc... | JVASP-50145 | 6.76 6.76 6.76
60 60 60
Ca 0.500 0.000 -0.000
Ca 0.500 0.000 0.500
Ca 0.000 -0.000 0.500
Ca 0.500 0.500 -0.000
Ca 0.000 0.500 -0.000
Ca 0.000 0.500 0.500
Hf 0.000 0.000 0.000
O 0.780 0.220 0.220
O 0.250 0.250 0.250
O 0.220 0.780 0.220
O 0.220 0.220 0.780
O 0.780 0.220 0.780
O 0.780 0.780 0.220
O 0.750 0.750 0.750
O 0.2... |
Below is a description of a material. | The chemical formula is: Hf2BeGa.
The XRD pattern shows main peaks at: 11.9°(0.41), 31.9°(0.75), 36.3°(0.25), 38.4°(1.0), 42.2°(0.48), 44.0°(0.08), 49.1°(0.09), 56.9°(0.29), 61.2°(0.16), 66.7°(0.1), 70.7°(0.35), 73.3°(0.14), 74.6°(0.29), 82.2°(0.06).
Generate atomic structure description with lattice lengths, angles, c... | JVASP-70942 | 3.03 3.03 7.42
90 90 90
Hf 0.000 0.000 0.978
Hf 0.500 0.500 0.288
Be 0.000 0.000 0.534
Ga 0.500 0.500 0.700 |
Below is a description of a material. | The chemical formula is: ZnSnO3.
The XRD pattern shows main peaks at: 18.8°(0.16), 22.9°(0.23), 31.7°(0.98), 33.4°(1.0), 38.6°(0.22), 46.7°(0.43), 51.5°(0.4), 55.5°(0.1), 58.6°(0.4), 59.7°(0.32), 69.3°(0.12), 70.1°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-11204 | 5.65 5.65 5.65
56 56 56
Zn 0.366 0.366 0.366
Zn 0.634 0.634 0.634
Sn 0.149 0.149 0.149
Sn 0.851 0.851 0.851
O 0.050 0.759 0.446
O 0.759 0.446 0.050
O 0.446 0.050 0.759
O 0.950 0.241 0.554
O 0.554 0.950 0.241
O 0.241 0.554 0.950 |
Below is a description of a material. | The chemical formula is: DyTe2.
The XRD pattern shows main peaks at: 22.4°(0.15), 28.4°(0.34), 30.2°(1.0), 35.0°(0.86), 36.6°(0.44), 40.6°(0.59), 50.4°(0.07), 51.5°(0.26), 55.8°(0.34), 58.7°(0.2), 67.5°(0.26), 70.2°(0.21), 71.3°(0.17), 85.3°(0.11), 87.8°(0.06).
Generate atomic structure description with lattice lengths... | JVASP-35854 | 4.45 4.45 8.85
90 90 90
Dy 0.500 0.000 0.729
Dy 0.000 0.500 0.271
Te 0.500 0.000 0.371
Te 0.000 0.500 0.629
Te 0.500 0.500 0.000
Te 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: CaFe2As2.
The XRD pattern shows main peaks at: 16.9°(0.55), 23.9°(0.27), 31.9°(0.12), 34.2°(1.0), 36.3°(0.55), 45.7°(0.75), 47.4°(0.7), 49.1°(0.23), 52.2°(0.08), 58.2°(0.42), 66.6°(0.23), 69.3°(0.12), 77.0°(0.1), 78.2°(0.09), 85.7°(0.23).
Generate atomic structure description with lattice lengt... | JVASP-97024 | 3.97 3.97 10.49
90 90 90
Ca 0.000 0.000 0.000
Ca 0.500 0.500 0.500
Fe 0.500 0.000 0.250
Fe 0.000 0.500 0.750
Fe 0.000 0.500 0.250
Fe 0.500 0.000 0.750
As 0.000 0.000 0.638
As 0.500 0.500 0.138
As 0.000 0.000 0.362
As 0.500 0.500 0.862 |
Below is a description of a material. | The chemical formula is: GaP2.
The XRD pattern shows main peaks at: 16.2°(0.54), 26.9°(1.0), 35.1°(0.53), 38.8°(0.13), 39.4°(0.65), 43.6°(0.3), 44.8°(0.51), 46.8°(0.08), 49.9°(0.16), 53.8°(0.47), 57.1°(0.24), 59.8°(0.07), 62.5°(0.16), 68.4°(0.14), 77.2°(0.08), 79.3°(0.2), 80.5°(0.09), 80.9°(0.09), 87.3°(0.12), 87.7°(0.... | JVASP-118381 | 5.48 4.15 2.56
90 90 90
Ga 0.000 0.424 0.000
P 0.303 0.924 0.000
P 0.697 0.924 0.000 |
Below is a description of a material. | The chemical formula is: PrInCu2.
The XRD pattern shows main peaks at: 26.1°(0.11), 37.3°(1.0), 53.8°(0.15), 67.2°(0.31), 79.5°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-17980 | 4.82 4.82 4.82
60 60 60
Pr 0.500 0.500 0.500
In 0.000 0.000 0.000
Cu 0.250 0.250 0.250
Cu 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: La4Ni3O8.
The XRD pattern shows main peaks at: 22.7°(0.18), 28.2°(0.1), 32.0°(0.46), 32.9°(1.0), 38.3°(0.12), 42.5°(0.19), 45.8°(0.32), 57.6°(0.39), 66.8°(0.09), 76.0°(0.08), 76.5°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-86026 | 3.96 3.96 13.41
98 98 90
La 0.299 0.299 0.598
La 0.701 0.701 0.402
La 0.434 0.434 0.868
La 0.566 0.566 0.132
Ni 0.124 0.124 0.248
Ni 0.876 0.876 0.752
Ni 0.000 0.000 0.000
O 0.374 0.874 0.748
O 0.250 0.750 0.500
O 0.874 0.374 0.748
O 0.750 0.250 0.500
O 0.500 -0.000 0.000
O 0.626 0.126 0.252
O 0.126 0.626 0.252
O 0.000... |
Below is a description of a material. | The chemical formula is: Tc2AsIr.
The XRD pattern shows main peaks at: 24.8°(0.09), 28.7°(0.07), 41.0°(1.0), 59.4°(0.16), 74.7°(0.34), 88.9°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-75546 | 4.40 4.40 4.40
60 60 60
Tc 0.000 0.000 0.000
Tc 0.250 0.250 0.250
As 0.500 0.500 0.500
Ir 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: LaO2.
The XRD pattern shows main peaks at: 20.4°(0.63), 21.5°(1.0), 22.9°(0.29), 29.7°(0.51), 30.8°(0.57), 31.6°(0.26), 37.8°(0.6), 43.7°(0.15), 46.7°(0.13), 47.1°(0.1), 47.8°(0.23), 48.7°(0.14), 51.4°(0.11), 51.9°(0.17), 53.0°(0.31), 54.4°(0.22), 56.4°(0.17), 66.8°(0.15), 68.4°(0.11), 80.8°(0.... | JVASP-139290 | 3.89 4.14 4.36
90 90 90
La 0.467 0.000 0.000
O -0.033 0.000 0.733
O -0.033 0.000 0.267 |
Below is a description of a material. | The chemical formula is: Be2S.
The XRD pattern shows main peaks at: 26.8°(1.0), 28.0°(0.83), 39.2°(0.62), 47.3°(0.5), 55.2°(0.1), 55.9°(0.58), 58.0°(0.09), 63.0°(0.15), 65.0°(0.12), 77.9°(0.22), 88.0°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-117697 | 3.85 3.85 3.18
90 90 120
Be 0.333 0.667 0.000
Be 0.667 0.333 0.000
S 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: AcNbPO.
The XRD pattern shows main peaks at: 9.2°(0.1), 23.5°(0.52), 27.8°(0.24), 28.6°(1.0), 30.8°(0.12), 32.2°(0.51), 35.5°(0.12), 36.1°(0.26), 44.0°(0.32), 49.2°(0.44), 50.5°(0.15), 52.9°(0.19), 53.3°(0.34), 57.8°(0.06), 64.1°(0.1), 70.9°(0.09), 73.5°(0.11), 75.8°(0.05), 84.8°(0.18), 88.0°(0... | JVASP-159736 | 4.11 4.11 9.61
90 90 90
Ac 0.250 0.250 0.139
Ac 0.750 0.750 0.861
Nb 0.750 0.250 0.500
Nb 0.250 0.750 0.500
P 0.750 0.750 0.333
P 0.250 0.250 0.667
O 0.750 0.250 0.000
O 0.250 0.750 0.000 |
Below is a description of a material. | The chemical formula is: LiVOF3.
The XRD pattern shows main peaks at: 17.5°(0.46), 25.6°(1.0), 34.1°(0.07), 35.5°(0.16), 39.6°(0.07), 49.2°(0.22), 51.4°(0.21), 52.6°(0.06), 54.3°(0.05), 56.1°(0.08), 56.5°(0.09), 62.1°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-164790 | 5.70 5.22 5.26
90 117 90
Li 0.538 0.264 0.763
Li 0.462 0.764 0.237
V -0.002 0.030 0.279
V 0.002 0.530 0.721
O 0.023 0.809 0.547
O -0.023 0.309 0.453
F 0.373 0.474 0.942
F 0.061 0.729 0.070
F 0.371 0.064 0.418
F 0.629 0.564 0.582
F -0.061 0.229 0.930
F 0.627 -0.026 0.058 |
Below is a description of a material. | The chemical formula is: BeCdSe.
The XRD pattern shows main peaks at: 11.0°(0.36), 22.1°(0.78), 31.5°(1.0), 33.4°(0.29), 38.8°(0.76), 45.1°(0.4), 46.5°(0.36), 50.8°(0.33), 55.9°(0.13), 57.2°(0.21), 65.7°(0.16), 66.7°(0.17), 70.2°(0.13), 74.7°(0.15), 75.6°(0.16), 79.0°(0.18), 84.3°(0.11).
Generate atomic structure descr... | JVASP-114609 | 2.84 2.84 8.06
90 90 90
Be 0.000 0.000 0.305
Cd 0.000 0.000 0.612
Se 0.000 0.000 0.036 |
Below is a description of a material. | The chemical formula is: Li3CrSiO5.
The XRD pattern shows main peaks at: 15.0°(0.12), 18.8°(0.98), 21.7°(0.59), 26.3°(0.11), 30.2°(0.29), 34.2°(0.23), 41.3°(0.06), 44.5°(1.0), 46.5°(0.44), 54.7°(0.07), 57.9°(0.05), 60.5°(0.07), 62.5°(0.07), 63.9°(0.13), 65.6°(0.26), 66.1°(0.13), 66.6°(0.12), 81.8°(0.05), 83.8°(0.06), 8... | JVASP-47760 | 5.03 5.69 6.20
76 75 73
Li 0.508 0.247 0.996
Li 0.306 0.446 0.398
Li 0.315 0.948 0.395
Li 0.685 0.052 0.605
Li 0.694 0.554 0.602
Li 0.492 0.753 0.004
Cr 0.900 0.346 0.215
Cr 0.100 0.654 0.785
Si 0.103 0.151 0.785
Si 0.897 0.849 0.215
O 0.355 0.334 0.718
O 0.642 0.123 0.285
O 0.645 0.666 0.282
O 0.160 0.046 0.094
O 0.00... |
Below is a description of a material. | The chemical formula is: UNiSb2.
The XRD pattern shows main peaks at: 22.5°(0.22), 28.8°(0.11), 29.5°(0.13), 30.5°(0.17), 35.1°(1.0), 36.0°(0.25), 39.6°(0.08), 41.2°(0.46), 47.5°(0.07), 51.5°(0.12), 54.6°(0.13), 55.9°(0.15), 58.5°(0.11), 59.7°(0.15), 68.0°(0.05), 70.7°(0.13), 71.2°(0.27), 74.1°(0.06), 89.5°(0.05).
Gene... | JVASP-90871 | 4.38 4.38 9.09
90 90 90
U 0.750 0.750 0.730
U 0.250 0.250 0.270
Ni 0.250 0.750 0.500
Ni 0.750 0.250 0.500
Sb 0.250 0.750 0.000
Sb 0.750 0.250 0.000
Sb 0.750 0.750 0.342
Sb 0.250 0.250 0.658 |
Below is a description of a material. | The chemical formula is: InNi3H.
The XRD pattern shows main peaks at: 23.6°(0.08), 33.7°(0.08), 41.6°(1.0), 48.4°(0.49), 70.8°(0.27), 85.6°(0.33).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-193803 | 3.76 3.76 3.76
90 90 90
Ni 0.000 0.500 0.000
Ni 0.000 0.000 0.500
Ni 0.500 0.000 0.000
H 0.000 0.000 0.000
In 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Ti2MnRh.
The XRD pattern shows main peaks at: 25.5°(0.09), 29.5°(0.09), 42.2°(1.0), 49.9°(0.05), 61.2°(0.15), 77.1°(0.31).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-191470 | 4.29 4.29 4.29
60 60 60
Mn -0.000 0.000 0.000
Rh 0.500 0.500 0.500
Ti 0.250 0.250 0.250
Ti 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: NaMoN.
The XRD pattern shows main peaks at: 12.6°(1.0), 25.4°(0.37), 30.6°(0.78), 33.2°(0.39), 38.5°(0.09), 40.2°(0.41), 43.8°(0.28), 45.8°(0.15), 50.0°(0.14), 51.3°(0.21), 59.7°(0.09), 61.7°(0.14), 63.7°(0.08), 69.7°(0.09), 70.4°(0.09), 72.3°(0.11), 73.7°(0.07), 75.1°(0.07), 78.0°(0.12), 85.0°... | JVASP-118756 | 2.92 2.92 7.01
90 90 90
Na 0.000 0.000 0.575
Mo 0.000 0.000 0.020
N 0.000 0.000 0.256 |
Below is a description of a material. | The chemical formula is: TcIr3.
The XRD pattern shows main peaks at: 40.3°(1.0), 46.9°(0.49), 68.5°(0.31), 82.6°(0.37), 87.1°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-129269 | 3.88 3.88 3.88
90 90 90
Tc 0.000 0.000 0.000
Ir 0.000 0.500 0.500
Ir 0.500 0.000 0.500
Ir 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: Ta2H.
The XRD pattern shows main peaks at: 37.0°(1.0), 39.2°(0.6), 50.1°(0.13), 56.4°(0.11), 56.8°(0.11), 65.1°(0.12), 65.6°(0.11), 69.5°(0.24), 78.7°(0.1), 84.2°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-113776 | 2.93 2.93 4.90
84 84 67
Ta 0.234 0.234 0.736
Ta 0.766 0.766 0.264
H 0.500 0.500 -0.000 |
Below is a description of a material. | The chemical formula is: Ti2Si6W.
The XRD pattern shows main peaks at: 13.6°(0.39), 21.7°(0.43), 25.6°(0.82), 27.3°(0.08), 35.1°(0.4), 38.0°(0.23), 40.5°(1.0), 41.5°(0.32), 44.2°(0.13), 46.4°(0.13), 47.4°(0.67), 57.5°(0.14), 70.0°(0.2), 70.3°(0.18), 75.4°(0.14), 81.2°(0.12), 84.8°(0.12).
Generate atomic structure descr... | JVASP-102662 | 4.74 4.74 6.53
90 90 120
Ti 0.500 0.000 0.667
Ti 0.000 0.500 0.333
Si 0.166 0.834 0.000
Si 0.156 0.317 0.667
Si 0.683 0.844 0.333
Si 0.834 0.166 0.000
Si 0.844 0.683 0.667
Si 0.317 0.156 0.333
W 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: LiV6O7F5.
The XRD pattern shows main peaks at: 26.0°(0.89), 27.1°(1.0), 35.6°(0.51), 37.3°(0.09), 39.9°(0.15), 40.8°(0.17), 42.9°(0.08), 51.7°(0.08), 52.4°(0.15), 52.8°(0.17), 53.4°(0.26), 53.9°(0.31), 55.9°(0.19), 62.2°(0.15), 65.8°(0.1), 66.3°(0.12), 67.8°(0.08), 69.1°(0.06).
Generate atomic ... | JVASP-121736 | 4.82 5.57 7.58
84 88 87
Li 0.497 0.847 0.153
V -0.000 0.005 0.972
V 0.442 0.462 -0.000
V 0.558 0.214 0.327
V 0.520 0.844 0.668
V 0.990 0.672 0.339
V 0.988 0.314 0.668
O 0.830 0.378 0.433
O 0.814 0.018 0.752
O 0.678 0.883 0.416
O 0.326 0.797 0.911
O 0.323 0.501 0.238
O 0.175 0.300 0.897
O 0.679 0.179 0.089
F 0.673 0.512... |
Below is a description of a material. | The chemical formula is: BeZn3O4.
The XRD pattern shows main peaks at: 20.4°(0.05), 22.6°(0.17), 28.6°(0.07), 35.4°(1.0), 37.1°(0.08), 40.9°(0.16), 41.5°(0.08), 59.2°(0.14), 59.6°(0.26), 70.9°(0.21), 71.7°(0.11), 74.8°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types... | JVASP-104971 | 5.36 5.36 5.36
131 131 71
Be 0.000 0.000 0.000
Zn 0.500 0.500 0.000
Zn 0.250 0.750 0.500
Zn 0.750 0.250 0.500
O 0.670 0.670 0.563
O 0.107 0.107 0.437
O 0.893 0.330 0.000
O 0.330 0.893 0.000 |
Below is a description of a material. | The chemical formula is: LiGaBr3.
The XRD pattern shows main peaks at: 13.5°(0.28), 21.8°(0.26), 24.1°(0.68), 27.2°(0.48), 28.3°(0.84), 29.1°(1.0), 30.3°(0.28), 31.0°(0.52), 31.3°(0.33), 32.0°(0.35), 34.4°(0.18), 34.7°(0.26), 46.5°(0.19), 47.1°(0.17), 48.8°(0.28), 49.4°(0.17), 50.2°(0.18), 50.7°(0.18), 51.2°(0.4), 53.3... | JVASP-154872 | 10.44 6.55 7.92
87 90 90
Li 0.500 -0.000 0.500
Li 0.500 0.500 -0.000
Li 0.000 0.500 -0.000
Li 0.000 -0.000 0.500
Ga 0.250 0.977 0.040
Ga 0.750 0.023 0.960
Ga 0.250 0.865 0.753
Ga 0.750 0.135 0.247
Br 0.566 0.171 0.807
Br 0.066 0.829 0.193
Br 0.750 0.859 0.463
Br 0.250 0.344 0.072
Br 0.750 0.656 0.928
Br 0.568 0.343 0.3... |
Below is a description of a material. | The chemical formula is: MoW2S6.
The XRD pattern shows main peaks at: 3.3°(1.0), 6.5°(0.4), 13.1°(0.22), 32.4°(0.05), 33.1°(0.06), 35.1°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-28485 | 3.19 3.19 27.03
90 90 119
Mo 0.667 0.334 0.347
W 0.333 0.667 0.116
W 0.333 0.667 0.578
S 0.333 0.667 0.405
S 0.667 0.333 0.057
S 0.667 0.333 0.520
S 0.667 0.333 0.174
S 0.667 0.333 0.637
S 0.333 0.667 0.289 |
Below is a description of a material. | The chemical formula is: TiZn2In.
The XRD pattern shows main peaks at: 21.8°(0.1), 31.1°(0.08), 38.3°(1.0), 44.5°(0.48), 64.7°(0.26), 77.8°(0.33), 82.0°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-191096 | 4.08 4.07 4.07
90 90 90
Zn -0.000 0.000 0.500
Zn -0.000 0.500 -0.000
Ti 0.500 0.000 -0.000
In 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Nb3Ni.
The XRD pattern shows main peaks at: 38.5°(1.0), 44.8°(0.49), 65.2°(0.31), 78.4°(0.32), 82.6°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-11995 | 4.05 4.05 4.05
90 90 90
Nb 0.000 0.500 0.500
Nb 0.500 0.500 0.000
Nb 0.500 0.000 0.500
Ni 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: CoO.
The XRD pattern shows main peaks at: 36.9°(0.74), 42.8°(1.0), 62.2°(0.59), 74.5°(0.26), 78.5°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-78656 | 2.99 2.99 2.99
89 120 120
Co 0.000 0.000 0.000
O -0.000 0.500 0.500 |
Below is a description of a material. | The chemical formula is: MgIn.
The XRD pattern shows main peaks at: 20.5°(0.34), 27.2°(0.37), 34.3°(1.0), 38.9°(0.34), 41.6°(0.14), 44.3°(0.19), 50.4°(0.12), 56.1°(0.1), 58.3°(0.19), 60.4°(0.08), 63.5°(0.07), 67.5°(0.25), 71.3°(0.1), 72.3°(0.1), 78.8°(0.07).
Generate atomic structure description with lattice lengths, a... | JVASP-14493 | 3.28 3.28 4.34
90 90 90
Mg 0.500 0.500 0.500
In 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: AsRhS.
The XRD pattern shows main peaks at: 21.5°(0.09), 26.4°(0.39), 30.5°(0.79), 34.2°(0.54), 37.6°(0.38), 43.7°(0.49), 51.8°(1.0), 54.3°(0.18), 56.7°(0.16), 59.0°(0.21), 70.0°(0.13), 72.1°(0.16), 74.2°(0.1), 80.3°(0.15), 86.3°(0.36).
Generate atomic structure description with lattice lengths... | JVASP-117230 | 5.86 5.86 5.86
90 90 90
As 0.117 0.883 0.383
As 0.883 0.383 0.117
As 0.383 0.117 0.883
As 0.617 0.617 0.617
Rh 0.497 0.503 0.003
Rh 0.503 0.003 0.497
Rh 0.003 0.497 0.503
Rh 0.997 0.997 0.997
S 0.886 0.114 0.614
S 0.114 0.614 0.886
S 0.614 0.886 0.114
S 0.386 0.386 0.386 |
Below is a description of a material. | The chemical formula is: Yb2CdPd3.
The XRD pattern shows main peaks at: 37.8°(1.0), 54.6°(0.16), 68.3°(0.26), 80.8°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-140359 | 4.76 4.76 11.65
90 90 120
Yb 0.000 0.000 0.500
Yb 0.333 0.667 0.178
Yb 0.667 0.333 0.822
Yb 0.000 0.000 0.000
Cd 0.333 0.667 0.667
Cd 0.667 0.333 0.333
Pd 0.333 0.667 0.421
Pd 0.667 0.333 0.085
Pd 0.000 0.000 0.748
Pd 0.000 0.000 0.252
Pd 0.333 0.667 0.915
Pd 0.667 0.333 0.579 |
Below is a description of a material. | The chemical formula is: SiIr2.
The XRD pattern shows main peaks at: 24.5°(0.15), 29.4°(0.59), 40.9°(1.0), 43.1°(0.88), 53.0°(0.11), 55.8°(0.1), 61.0°(0.35), 67.6°(0.08), 77.6°(0.35), 79.1°(0.15), 83.6°(0.27).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-103651 | 4.20 4.20 5.54
90 90 120
Si 0.333 0.667 0.250
Si 0.667 0.333 0.750
Ir 0.333 0.667 0.750
Ir 0.667 0.333 0.250
Ir 0.000 0.000 0.000
Ir 0.000 0.000 0.500 |
Below is a description of a material. | The chemical formula is: SmB2.
The XRD pattern shows main peaks at: 21.9°(0.46), 31.1°(0.67), 38.4°(1.0), 44.7°(0.11), 55.5°(0.4), 60.3°(0.2), 64.9°(0.09), 69.4°(0.17), 73.8°(0.14), 78.2°(0.13), 82.3°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-15897 | 3.32 3.32 4.05
90 90 119
Sm 0.000 0.000 0.000
B 0.667 0.333 0.500
B 0.333 0.667 0.500 |
Below is a description of a material. | The chemical formula is: BeNbPd2.
The XRD pattern shows main peaks at: 12.8°(0.14), 31.4°(0.09), 34.0°(0.46), 39.0°(0.19), 41.0°(1.0), 44.9°(0.41), 52.8°(0.07), 61.0°(0.2), 65.5°(0.13), 71.8°(0.11), 75.8°(0.08), 76.4°(0.15), 78.9°(0.09), 80.2°(0.27), 88.9°(0.06).
Generate atomic structure description with lattice lengt... | JVASP-185999 | 2.85 2.85 6.93
90 90 90
Be 0.500 0.500 0.598
Nb -0.000 0.000 0.849
Pd 0.000 0.000 0.427
Pd 0.500 0.500 0.136 |
Below is a description of a material. | The chemical formula is: PmMgHg2.
The XRD pattern shows main peaks at: 21.2°(0.11), 24.5°(0.18), 35.0°(1.0), 41.3°(0.05), 43.2°(0.06), 50.3°(0.19), 56.7°(0.08), 62.7°(0.36), 73.9°(0.12), 84.4°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-40850 | 5.13 5.13 5.13
60 60 60
Pm 0.750 0.750 0.750
Mg 0.250 0.250 0.250
Hg 0.000 0.000 0.000
Hg 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: TiFe2Ge.
The XRD pattern shows main peaks at: 44.3°(1.0), 64.5°(0.15), 81.6°(0.3).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-80057 | 4.09 4.09 4.09
59 59 59
Ti 0.750 0.750 0.750
Fe 1.000 1.000 1.000
Fe 0.500 0.500 0.500
Ge 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: NiAg2Sn3S8.
The XRD pattern shows main peaks at: 14.7°(0.22), 23.4°(0.18), 23.9°(0.38), 27.5°(1.0), 28.2°(0.52), 28.8°(0.18), 33.6°(0.52), 41.4°(0.06), 44.1°(0.5), 45.2°(0.09), 47.8°(0.63), 48.9°(0.53), 56.0°(0.13), 59.7°(0.06), 61.6°(0.06), 70.7°(0.16).
Generate atomic structure description wi... | JVASP-178273 | 7.46 7.62 7.46
59 61 89
Ni 0.000 0.000 0.500
Ag 0.607 0.393 0.714
Ag 0.393 0.607 0.286
Sn 0.000 0.500 -0.000
Sn 0.500 0.000 0.500
Sn 0.000 0.000 -0.000
S 0.229 0.214 0.515
S 0.248 0.752 0.996
S 0.771 0.229 0.485
S 0.214 0.229 0.043
S 0.771 0.786 0.485
S 0.752 0.248 0.004
S 0.229 0.771 0.515
S 0.786 0.771 0.957 |
Below is a description of a material. | The chemical formula is: PaSi2Ru2.
The XRD pattern shows main peaks at: 23.2°(0.5), 35.4°(0.38), 35.7°(1.0), 37.5°(0.17), 43.4°(0.35), 49.8°(0.15), 52.5°(0.13), 57.1°(0.19), 58.6°(0.17), 63.0°(0.13), 66.5°(0.17), 70.4°(0.11), 74.6°(0.24), 75.7°(0.09).
Generate atomic structure description with lattice lengths, angles, ... | JVASP-156028 | 5.63 5.63 5.63
136 136 63
Pa 0.000 0.000 0.000
Si 0.373 0.373 -0.000
Si 0.627 0.627 -0.000
Ru 0.750 0.250 0.500
Ru 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: InBr3.
The XRD pattern shows main peaks at: 13.3°(0.71), 20.7°(0.13), 24.7°(0.65), 34.1°(1.0), 36.3°(0.77), 38.9°(0.28), 40.6°(0.13), 44.5°(0.12), 50.7°(0.31), 55.1°(0.06), 55.6°(0.31), 58.7°(0.11), 64.0°(0.28), 65.4°(0.15), 67.8°(0.2), 74.5°(0.05), 77.2°(0.09), 79.9°(0.11), 87.1°(0.13).
Genera... | JVASP-136854 | 4.94 4.94 6.67
90 90 120
In 0.667 0.333 0.000
Br 0.333 0.667 0.720
Br 0.000 0.000 0.000
Br 0.333 0.667 0.280 |
Below is a description of a material. | The chemical formula is: Ti2FeCo.
The XRD pattern shows main peaks at: 43.3°(1.0), 62.9°(0.15), 79.5°(0.28).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-109080 | 4.18 4.18 4.18
60 60 60
Ti 0.250 0.250 0.250
Ti 0.750 0.750 0.750
Fe 0.000 0.000 0.000
Co 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: AsIrBr.
The XRD pattern shows main peaks at: 24.3°(0.38), 28.2°(0.37), 40.3°(1.0), 47.6°(0.2), 49.9°(0.1), 58.3°(0.17), 64.1°(0.08), 66.0°(0.13), 73.2°(0.36), 78.5°(0.06), 87.0°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-75820 | 4.48 4.48 4.48
60 60 60
As 0.500 0.500 0.500
Ir 0.000 0.000 0.000
Br 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: Nd3Er.
The XRD pattern shows main peaks at: 28.3°(0.25), 30.6°(0.24), 32.3°(1.0), 42.2°(0.17), 50.1°(0.21), 55.5°(0.23), 59.9°(0.24), 60.8°(0.16), 78.0°(0.09), 85.2°(0.08), 89.6°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-111288 | 7.28 7.28 5.83
90 90 120
Nd 0.168 0.336 0.250
Nd 0.664 0.832 0.250
Nd 0.168 0.832 0.250
Nd 0.832 0.664 0.750
Nd 0.336 0.168 0.750
Nd 0.832 0.168 0.750
Er 0.333 0.667 0.750
Er 0.667 0.333 0.250 |
Below is a description of a material. | The chemical formula is: Yb4Ge6Os7.
The XRD pattern shows main peaks at: 15.1°(0.08), 26.3°(0.23), 30.4°(0.11), 37.5°(1.0), 40.7°(0.33), 43.6°(0.71), 51.6°(0.16), 63.4°(0.39), 69.8°(0.09), 76.0°(0.31), 78.1°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-159393 | 7.19 7.19 7.19
109 109 109
Yb 0.000 0.000 0.500
Yb 0.500 -0.000 -0.000
Yb -0.000 0.500 0.000
Yb 0.500 0.500 0.500
Ge 0.309 0.309 0.000
Ge -0.000 0.691 0.691
Ge 0.691 -0.000 0.691
Ge 0.309 0.000 0.309
Ge -0.000 0.309 0.309
Ge 0.691 0.691 -0.000
Os 0.500 0.250 0.750
Os 0.500 0.750 0.250
Os 0.750 0.500 0.250
Os 0.250 0.75... |
Below is a description of a material. | The chemical formula is: Zn2NiWO6.
The XRD pattern shows main peaks at: 20.6°(0.55), 23.1°(0.13), 24.3°(0.24), 33.6°(0.99), 34.0°(1.0), 34.6°(0.54), 39.0°(0.11), 40.7°(0.11), 47.3°(0.26), 49.7°(0.4), 59.5°(0.11), 59.8°(0.21), 61.2°(0.42), 62.0°(0.23), 70.6°(0.12), 78.9°(0.08), 82.5°(0.06), 83.2°(0.12).
Generate atomic ... | JVASP-21321 | 5.17 5.20 9.20
90 123 90
Zn 0.261 0.965 0.254
Zn 0.739 0.465 0.246
Zn 0.739 0.035 0.746
Zn 0.261 0.535 0.754
Ni 0.500 0.000 -0.000
Ni 0.500 0.500 0.500
W 0.000 0.000 0.500
W 0.000 0.500 0.000
O 0.643 0.080 0.261
O 0.357 0.580 0.239
O 0.738 0.674 0.057
O 0.262 0.174 0.443
O 0.262 0.326 0.943
O 0.913 0.185 0.075
O 0.087 ... |
Below is a description of a material. | The chemical formula is: BeCd2Ga.
The XRD pattern shows main peaks at: 17.1°(0.2), 24.2°(0.48), 32.0°(0.11), 34.5°(0.83), 36.5°(0.07), 38.7°(0.05), 40.6°(1.0), 47.8°(0.15), 49.6°(0.29), 51.1°(0.05), 56.0°(0.08), 60.3°(0.07), 65.9°(0.42), 67.0°(0.06), 72.8°(0.09), 77.6°(0.15), 83.1°(0.12), 86.8°(0.11), 87.8°(0.11).
Gene... | JVASP-74915 | 5.20 5.20 2.79
90 90 90
Be 0.000 0.000 0.500
Cd 0.500 0.000 0.000
Cd 0.000 0.500 0.000
Ga 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Pa.
The XRD pattern shows main peaks at: 31.4°(0.32), 32.2°(0.22), 36.0°(1.0), 45.6°(0.17), 57.5°(0.17), 58.9°(0.24), 67.0°(0.23), 69.7°(0.16), 86.9°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-105227 | 3.21 3.21 5.69
90 90 119
Pa 0.333 0.667 0.250
Pa 0.667 0.333 0.750 |
Below is a description of a material. | The chemical formula is: YHO.
The XRD pattern shows main peaks at: 14.3°(0.06), 29.0°(1.0), 33.6°(0.35), 48.2°(0.39), 57.3°(0.38), 60.1°(0.07), 70.6°(0.07), 78.2°(0.09), 80.6°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-136772 | 6.55 6.55 6.55
33 33 33
Y 0.744 0.744 0.744
Y 0.256 0.256 0.256
H 0.132 0.132 0.132
H 0.868 0.868 0.868
O 0.619 0.619 0.619
O 0.381 0.381 0.381 |
Below is a description of a material. | The chemical formula is: VCuO3.
The XRD pattern shows main peaks at: 24.2°(0.19), 32.8°(1.0), 36.1°(0.61), 41.1°(0.17), 49.6°(0.34), 53.6°(0.35), 56.3°(0.11), 62.9°(0.29), 65.0°(0.25), 70.1°(0.09), 76.7°(0.06), 80.2°(0.06), 85.9°(0.1), 89.1°(0.06).
Generate atomic structure description with lattice lengths, angles, coo... | JVASP-150572 | 5.51 5.51 5.51
53 53 53
V 0.645 0.645 0.645
V 0.355 0.355 0.355
Cu 0.860 0.860 0.860
Cu 0.140 0.140 0.140
O 0.284 0.554 0.932
O 0.554 0.932 0.284
O 0.932 0.284 0.554
O 0.716 0.446 0.068
O 0.446 0.068 0.716
O 0.068 0.716 0.446 |
Below is a description of a material. | The chemical formula is: NdSiNi4.
The XRD pattern shows main peaks at: 22.4°(0.2), 30.4°(0.31), 31.2°(0.47), 34.6°(0.15), 36.9°(0.52), 41.1°(0.4), 41.7°(0.84), 43.6°(1.0), 45.8°(0.44), 60.2°(0.25), 62.0°(0.1), 63.2°(0.23), 63.6°(0.15), 65.2°(0.08), 68.3°(0.24), 72.6°(0.15), 73.1°(0.1), 78.6°(0.17), 81.8°(0.21), 83.2°(0... | JVASP-172962 | 3.96 4.88 4.88
115 90 90
Nd 0.000 -0.000 0.000
Si 0.500 0.500 0.500
Ni 0.000 0.342 0.658
Ni -0.000 0.658 0.342
Ni 0.500 -0.000 0.500
Ni 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: Ca4MgSn3.
The XRD pattern shows main peaks at: 10.2°(0.16), 20.5°(0.16), 22.0°(0.92), 22.9°(0.86), 29.8°(0.24), 30.2°(0.68), 31.5°(0.26), 32.7°(0.87), 33.2°(0.73), 33.6°(1.0), 36.4°(0.33), 37.4°(0.14), 41.7°(0.16), 42.1°(0.55), 42.5°(0.69), 43.5°(0.53), 44.3°(0.13), 57.2°(0.26), 61.8°(0.14).
Ge... | JVASP-176336 | 6.01 9.17 9.17
83 70 70
Ca 0.083 0.135 0.698
Ca 0.917 0.865 0.302
Ca 0.781 0.302 0.135
Ca 0.417 0.302 0.865
Ca 0.219 0.698 0.865
Ca 0.583 0.698 0.135
Ca 0.719 0.865 0.698
Ca 0.281 0.135 0.302
Mg 0.250 0.500 0.500
Mg 0.750 0.500 0.500
Sn 0.152 0.500 0.196
Sn 0.848 0.500 0.804
Sn 0.348 0.804 0.500
Sn 0.652 0.196 0.500
Sn... |
Below is a description of a material. | The chemical formula is: CrMoF2.
The XRD pattern shows main peaks at: 22.4°(0.62), 25.4°(0.14), 34.1°(0.12), 36.2°(1.0), 43.0°(0.43), 45.8°(0.27), 52.2°(0.35), 57.5°(0.2), 59.7°(0.4), 71.9°(0.24), 76.9°(0.09), 81.4°(0.07), 82.8°(0.07), 88.1°(0.13).
Generate atomic structure description with lattice lengths, angles, coo... | JVASP-182908 | 3.51 3.51 3.96
90 90 90
Cr 0.500 0.500 0.752
Mo 0.000 0.000 0.753
F -0.000 0.000 0.253
F 0.500 0.500 0.252 |
Below is a description of a material. | The chemical formula is: ZrSn.
The XRD pattern shows main peaks at: 32.0°(0.81), 37.6°(1.0), 45.9°(0.3), 60.8°(0.49), 61.8°(0.05), 66.9°(0.1), 71.3°(0.14), 76.1°(0.14), 79.4°(0.12), 80.3°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-90580 | 6.00 5.59 5.59
90 90 90
Zr 0.869 0.500 0.250
Zr 0.131 0.000 0.250
Zr 0.869 1.000 0.750
Zr 0.131 0.500 0.750
Sn 0.644 0.000 0.250
Sn 0.356 0.500 0.250
Sn 0.644 0.500 0.750
Sn 0.356 1.000 0.750 |
Below is a description of a material. | The chemical formula is: AlVRuOs.
The XRD pattern shows main peaks at: 25.6°(0.13), 29.7°(0.45), 42.5°(1.0), 52.7°(0.12), 61.6°(0.16), 69.9°(0.16), 77.7°(0.33).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-187412 | 4.26 4.26 4.26
59 59 59
Ru 0.750 0.750 0.750
Os 0.250 0.250 0.250
Al 0.500 0.500 0.500
V -0.000 -0.000 0.000 |
Below is a description of a material. | The chemical formula is: LiLa2Cd.
The XRD pattern shows main peaks at: 19.8°(0.18), 22.9°(0.19), 32.6°(1.0), 38.4°(0.1), 40.2°(0.06), 46.7°(0.19), 52.6°(0.08), 58.1°(0.39), 68.2°(0.12), 77.7°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-157125 | 5.50 5.50 5.50
60 60 60
Li 0.750 0.750 0.750
La 0.000 0.000 0.000
La 0.500 0.500 0.500
Cd 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: HfBeCl.
The XRD pattern shows main peaks at: 13.2°(1.0), 26.6°(0.11), 32.3°(0.3), 35.0°(0.65), 40.3°(0.08), 42.3°(0.45), 52.6°(0.18), 57.6°(0.11), 59.3°(0.12), 64.5°(0.07), 65.0°(0.09), 69.2°(0.09), 72.6°(0.09), 74.0°(0.08), 79.3°(0.07), 83.5°(0.07).
Generate atomic structure description with l... | JVASP-71568 | 3.20 3.20 6.71
90 90 120
Hf 0.667 0.333 0.336
Be 0.000 0.000 0.057
Cl 0.333 0.667 0.607 |
Below is a description of a material. | The chemical formula is: SrCaCr2O6.
The XRD pattern shows main peaks at: 16.5°(0.09), 28.8°(0.06), 33.4°(1.0), 41.2°(0.13), 47.9°(0.39), 59.6°(0.36), 70.1°(0.22), 79.8°(0.11), 89.3°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-109146 | 5.38 5.38 3.79
90 90 90
Sr 0.000 0.000 0.500
Ca 0.500 0.500 0.500
Cr 0.500 0.000 0.000
Cr 0.000 0.500 0.000
O 0.253 0.253 0.000
O 0.747 0.747 0.000
O 0.253 0.747 0.000
O 0.747 0.253 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: LiH2.
The XRD pattern shows main peaks at: 36.3°(0.25), 37.5°(1.0), 38.2°(0.61), 39.2°(0.58), 50.4°(0.47), 54.1°(0.33), 57.6°(0.08), 65.0°(0.24), 65.6°(0.21), 67.1°(0.19), 68.4°(0.18), 69.4°(0.25), 70.6°(0.23), 77.1°(0.18), 80.0°(0.08), 85.4°(0.06), 86.1°(0.09).
Generate atomic structure descri... | JVASP-116284 | 2.97 2.97 3.39
54 125 105
Li 0.164 0.063 0.919
H 0.434 0.793 0.693
H 0.893 0.334 0.145 |
Below is a description of a material. | The chemical formula is: Nd2FeNiO6.
The XRD pattern shows main peaks at: 23.1°(0.16), 25.9°(0.1), 32.5°(0.2), 33.0°(1.0), 34.6°(0.07), 40.4°(0.07), 41.0°(0.1), 47.2°(0.24), 47.5°(0.14), 48.7°(0.1), 54.1°(0.1), 58.3°(0.1), 58.8°(0.09), 59.2°(0.24), 65.0°(0.05), 69.3°(0.08), 79.1°(0.1).
Generate atomic structure descript... | JVASP-143815 | 5.50 5.39 9.36
54 90 90
Nd 0.950 0.239 0.750
Nd 0.450 0.761 0.750
Nd 0.050 0.761 0.250
Nd 0.550 0.239 0.250
Fe 0.000 0.500 -0.000
Fe 0.500 0.500 0.500
Ni 0.000 -0.000 0.500
Ni 0.500 0.000 0.000
O 0.796 0.176 0.041
O 0.296 0.824 0.459
O 0.784 0.744 0.458
O 0.284 0.256 0.042
O 0.204 0.824 0.959
O 0.015 0.667 0.756
O 0.98... |
Below is a description of a material. | The chemical formula is: ErTlSe2.
The XRD pattern shows main peaks at: 23.0°(0.13), 26.1°(0.23), 29.4°(1.0), 40.1°(0.36), 43.9°(0.37), 46.7°(0.09), 53.7°(0.2), 60.9°(0.11), 61.7°(0.05), 66.3°(0.14), 71.8°(0.16), 78.1°(0.11), 80.7°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates an... | JVASP-79806 | 8.09 8.09 8.09
29 29 29
Er 0.000 0.000 0.000
Tl 0.500 0.500 0.500
Se 0.734 0.734 0.734
Se 0.266 0.266 0.266 |
Below is a description of a material. | The chemical formula is: AsP2Pt.
The XRD pattern shows main peaks at: 24.2°(0.61), 28.0°(0.15), 40.0°(1.0), 47.2°(0.33), 57.8°(0.18), 63.6°(0.13), 65.4°(0.06), 72.6°(0.36), 77.8°(0.11), 86.2°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-75690 | 4.51 4.51 4.51
60 60 60
As 0.500 0.500 0.500
P 0.000 0.000 0.000
P 0.750 0.750 0.750
Pt 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: VOF3.
The XRD pattern shows main peaks at: 14.5°(0.46), 19.5°(1.0), 24.1°(0.95), 28.5°(0.55), 29.2°(0.11), 33.7°(0.23), 35.3°(0.15), 38.4°(0.11), 40.0°(0.16), 42.5°(0.66), 43.2°(0.09), 49.4°(0.06), 50.2°(0.34), 57.3°(0.09), 63.0°(0.09), 67.4°(0.1), 68.3°(0.14).
Generate atomic structure descrip... | JVASP-146566 | 12.25 4.72 4.64
101 90 90
V 0.156 0.227 -0.014
V 0.344 0.727 -0.014
V 0.656 0.273 0.014
V 0.844 0.773 0.014
O 0.571 0.450 0.238
O 0.929 0.950 0.238
O 0.071 0.050 0.762
O 0.429 0.550 0.762
F 0.693 0.517 0.775
F 0.924 0.539 0.762
F 0.807 0.017 0.775
F 0.576 0.039 0.762
F 0.424 0.961 0.238
F 0.707 0.995 0.218
F 0.076 0.46... |
Below is a description of a material. | The chemical formula is: LiCaB.
The XRD pattern shows main peaks at: 22.3°(1.0), 27.6°(0.49), 35.8°(0.54), 39.1°(0.52), 45.5°(0.13), 48.5°(0.48), 54.0°(0.15), 57.0°(0.05), 61.5°(0.1), 62.0°(0.1), 68.7°(0.14), 71.3°(0.15), 77.6°(0.1), 88.8°(0.06).
Generate atomic structure description with lattice lengths, angles, coord... | JVASP-135717 | 4.61 4.61 3.23
90 90 120
Li 0.667 0.333 0.000
Ca 0.333 0.667 0.000
B 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: KAl2Ge2.
The XRD pattern shows main peaks at: 11.9°(0.1), 22.8°(0.21), 28.5°(1.0), 31.3°(0.28), 33.6°(0.13), 37.5°(0.17), 39.7°(0.38), 44.9°(0.29), 48.5°(0.22), 54.0°(0.34), 65.3°(0.1), 68.4°(0.13), 72.7°(0.07), 79.2°(0.1).
Generate atomic structure description with lattice lengths, angles, coo... | JVASP-155638 | 4.04 4.04 7.99
104 104 90
K 0.000 0.000 0.000
Al 0.750 0.250 0.500
Al 0.250 0.750 0.500
Ge 0.637 0.637 0.274
Ge 0.363 0.363 0.726 |
Below is a description of a material. | The chemical formula is: Rb2LaNb2ClO7.
The XRD pattern shows main peaks at: 5.9°(0.96), 11.7°(0.06), 23.5°(0.07), 25.6°(0.18), 28.9°(1.0), 32.3°(0.48), 37.6°(0.15), 44.4°(0.09), 46.3°(0.27), 55.5°(0.32), 61.1°(0.07), 67.5°(0.07), 75.1°(0.06), 76.9°(0.07).
Generate atomic structure description with lattice lengths, angl... | JVASP-141965 | 3.92 3.92 15.09
90 90 90
Rb 0.500 0.500 0.368
Rb 0.500 0.500 0.632
La 0.500 0.500 0.000
Nb 0.000 0.000 0.153
Nb 0.000 0.000 0.847
Cl 0.000 0.000 0.500
O 0.000 0.500 0.123
O 0.000 0.500 0.877
O 0.500 0.000 0.123
O 0.500 0.000 0.877
O 0.000 0.000 0.273
O 0.000 0.000 0.727
O 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: PmCdGa.
The XRD pattern shows main peaks at: 22.8°(0.13), 26.4°(0.4), 37.7°(1.0), 44.5°(0.07), 46.6°(0.11), 54.4°(0.17), 61.5°(0.14), 68.1°(0.34), 80.6°(0.1), 86.6°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-156465 | 4.77 4.77 4.77
60 60 60
Pm 0.750 0.750 0.750
Cd 0.250 0.250 0.250
Ga 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: CaCdSn.
The XRD pattern shows main peaks at: 13.3°(0.12), 19.0°(0.35), 23.1°(0.4), 30.1°(0.6), 33.0°(0.99), 35.6°(0.38), 38.6°(0.36), 40.6°(1.0), 45.4°(0.13), 53.5°(0.22), 57.2°(0.28), 64.0°(0.45), 66.3°(0.13), 71.2°(0.15), 77.2°(0.18).
Generate atomic structure description with lattice lengths... | JVASP-150317 | 7.71 7.71 4.67
90 90 120
Ca 0.000 0.424 0.500
Ca 0.576 0.576 0.500
Ca 0.424 -0.000 0.500
Cd 0.000 0.747 0.000
Cd 0.253 0.253 0.000
Cd 0.747 0.000 0.000
Sn 1.000 -0.000 0.500
Sn 0.667 0.333 0.000
Sn 0.333 0.667 0.000 |
Below is a description of a material. | The chemical formula is: AsSeI.
The XRD pattern shows main peaks at: 13.4°(0.28), 19.8°(0.35), 27.0°(0.16), 28.0°(0.26), 28.5°(0.27), 30.0°(0.6), 30.4°(1.0), 31.0°(0.91), 31.4°(0.26), 34.8°(0.3), 35.5°(0.13), 39.9°(0.16), 45.3°(0.15), 46.4°(0.36), 47.7°(0.38), 50.6°(0.12), 53.5°(0.17), 54.1°(0.11), 55.8°(0.16), 73.4°(0... | JVASP-26828 | 8.96 4.01 13.73
90 132 90
As 0.499 0.894 0.137
As 0.501 0.106 0.863
As 0.499 0.606 0.637
As 0.501 0.394 0.363
Se 0.282 0.941 0.187
Se 0.282 0.559 0.687
Se 0.718 0.441 0.313
Se 0.718 0.059 0.813
I 0.799 0.535 0.080
I 0.799 0.965 0.580
I 0.201 0.035 0.420
I 0.201 0.465 0.920 |
Below is a description of a material. | The chemical formula is: VRh2.
The XRD pattern shows main peaks at: 21.4°(0.07), 26.4°(0.17), 34.9°(0.09), 40.8°(0.92), 41.4°(1.0), 47.0°(0.61), 49.4°(0.28), 67.7°(0.1), 69.5°(0.1), 70.6°(0.34), 82.5°(0.21), 83.8°(0.21), 86.7°(0.1), 87.1°(0.11), 88.3°(0.1).
Generate atomic structure description with lattice lengths, an... | JVASP-185473 | 2.70 3.69 4.74
67 106 90
V -0.050 0.004 0.916
Rh 0.290 0.664 0.595
Rh 0.611 0.343 0.238 |
Below is a description of a material. | The chemical formula is: LiSn6Pd2.
The XRD pattern shows main peaks at: 10.1°(0.15), 20.3°(0.09), 29.5°(0.13), 30.6°(0.21), 31.3°(0.67), 36.0°(1.0), 37.6°(0.12), 40.8°(0.41), 42.2°(0.5), 43.0°(0.08), 51.5°(0.11), 57.1°(0.1), 57.8°(0.07), 60.2°(0.13), 61.1°(0.25), 63.5°(0.18), 66.8°(0.3), 76.6°(0.07), 79.3°(0.15), 80.1°... | JVASP-86231 | 6.77 6.77 8.77
90 90 90
Li 0.000 0.000 0.500
Li 0.500 0.500 0.500
Sn 0.842 0.658 0.679
Sn 0.842 0.658 0.321
Sn 0.658 0.158 0.679
Sn 0.336 0.164 0.000
Sn 0.164 0.664 0.000
Sn 0.664 0.836 0.000
Sn 0.158 0.342 0.321
Sn 0.158 0.342 0.679
Sn 0.342 0.842 0.321
Sn 0.658 0.158 0.321
Sn 0.836 0.336 0.000
Sn 0.342 0.842 0.679
Pd... |
Below is a description of a material. | The chemical formula is: La2MgNiO6.
The XRD pattern shows main peaks at: 23.0°(0.51), 32.5°(1.0), 33.0°(0.99), 40.2°(0.36), 41.1°(0.12), 47.0°(0.65), 58.0°(0.21), 58.3°(0.42), 59.3°(0.19), 68.0°(0.17), 69.3°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-108181 | 5.43 5.43 5.43
61 61 61
La 0.751 0.751 0.751
La 0.249 0.249 0.249
Mg 0.500 0.500 0.500
Ni 0.000 0.000 0.000
O 0.762 0.296 0.186
O 0.186 0.762 0.296
O 0.296 0.186 0.762
O 0.238 0.704 0.814
O 0.704 0.814 0.238
O 0.814 0.238 0.704 |
Below is a description of a material. | The chemical formula is: Sm3Sb4Au3.
The XRD pattern shows main peaks at: 21.7°(0.25), 25.1°(0.11), 33.4°(1.0), 40.2°(0.5), 42.3°(0.08), 44.2°(0.13), 46.2°(0.12), 49.8°(0.18), 56.6°(0.06), 58.2°(0.11), 62.9°(0.1), 67.3°(0.11), 68.8°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates a... | JVASP-37494 | 8.68 8.68 8.68
109 109 109
Sm 0.250 0.625 0.375
Sm 0.750 0.875 0.125
Sm 0.375 0.250 0.625
Sm 0.625 0.375 0.250
Sm 0.125 0.750 0.875
Sm 0.875 0.125 0.750
Sb 0.822 0.500 -0.000
Sb -0.000 0.822 0.500
Sb 0.500 -0.000 0.822
Sb 0.678 0.678 0.678
Sb -0.000 0.322 0.500
Sb 0.322 0.500 -0.000
Sb 0.500 -0.000 0.322
Sb 0.178 0.178... |
Below is a description of a material. | The chemical formula is: V2AsAu.
The XRD pattern shows main peaks at: 24.4°(0.34), 28.2°(0.13), 40.3°(1.0), 47.6°(0.19), 58.3°(0.17), 64.1°(0.09), 66.0°(0.05), 73.2°(0.3), 78.5°(0.07), 87.1°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-75544 | 4.48 4.48 4.48
60 60 60
V 0.000 0.000 0.000
V 0.250 0.250 0.250
As 0.500 0.500 0.500
Au 0.750 0.750 0.750 |
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