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: NaMn2O4.
The XRD pattern shows main peaks at: 16.1°(1.0), 32.5°(0.1), 36.6°(0.11), 37.8°(0.09), 42.6°(0.47), 53.7°(0.14), 57.9°(0.12), 58.7°(0.06), 64.7°(0.05), 65.7°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-94828 | 2.88 4.90 5.77
106 90 90
Na 0.500 0.000 0.500
Mn -0.000 0.000 0.000
Mn 0.500 0.500 0.000
O 0.500 0.774 0.817
O -0.000 0.268 0.812
O 0.000 0.732 0.188
O 0.500 0.226 0.183 |
Below is a description of a material. | The chemical formula is: BaSb2Pd.
The XRD pattern shows main peaks at: 9.4°(0.17), 18.6°(0.07), 25.8°(0.16), 29.1°(1.0), 29.9°(0.41), 33.8°(0.38), 35.8°(0.43), 36.4°(0.38), 42.5°(0.24), 47.4°(0.32), 50.5°(0.22), 52.0°(0.28), 57.3°(0.09), 60.3°(0.13), 60.8°(0.1), 61.2°(0.13), 63.1°(0.06), 75.1°(0.07), 87.3°(0.1), 88.4°(... | JVASP-150037 | 9.70 9.70 5.01
90 90 150
Ba 0.393 0.607 0.750
Ba 0.607 0.393 0.250
Sb 0.751 0.249 0.750
Sb 0.249 0.751 0.250
Sb 0.043 0.957 0.750
Sb 0.957 0.043 0.250
Pd 0.186 0.814 0.750
Pd 0.814 0.186 0.250 |
Below is a description of a material. | The chemical formula is: Cd2SO2.
The XRD pattern shows main peaks at: 27.3°(0.25), 30.5°(1.0), 39.0°(0.33), 41.6°(0.08), 48.0°(0.32), 50.4°(0.23), 56.2°(0.17), 58.0°(0.15), 63.5°(0.08), 65.4°(0.1), 72.2°(0.07), 77.3°(0.05), 78.5°(0.12), 79.1°(0.06), 83.4°(0.07).
Generate atomic structure description with lattice length... | JVASP-186179 | 3.79 3.79 6.51
90 90 120
Cd 0.667 0.333 0.282
Cd 0.333 0.667 0.718
S 0.000 -0.000 -0.000
O 0.333 0.667 0.356
O 0.667 0.333 0.644 |
Below is a description of a material. | The chemical formula is: FeSbTe.
The XRD pattern shows main peaks at: 28.8°(0.22), 30.0°(0.22), 30.7°(0.07), 32.4°(1.0), 33.1°(0.86), 35.4°(0.1), 43.3°(0.08), 43.9°(0.32), 45.6°(0.08), 49.9°(0.34), 50.7°(0.08), 51.6°(0.26), 52.8°(0.08), 57.7°(0.09), 60.8°(0.07), 62.2°(0.2), 67.7°(0.11), 82.0°(0.12).
Generate atomic str... | JVASP-151114 | 6.39 6.55 6.58
65 90 90
Fe 0.001 0.724 0.289
Fe 0.501 0.276 0.211
Fe -0.001 0.276 0.711
Fe 0.499 0.724 0.789
Sb 0.646 0.862 0.379
Sb 0.146 0.138 0.121
Sb 0.354 0.138 0.621
Sb 0.854 0.862 0.879
Te 0.360 0.650 0.170
Te 0.860 0.350 0.330
Te 0.640 0.350 0.830
Te 0.140 0.650 0.670 |
Below is a description of a material. | The chemical formula is: LiHO.
The XRD pattern shows main peaks at: 23.7°(1.0), 28.8°(0.2), 31.9°(0.14), 36.4°(0.13), 37.6°(0.16), 40.1°(0.14), 43.9°(0.13), 48.5°(0.1), 49.7°(0.08), 55.8°(0.11), 59.1°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-116126 | 3.24 3.69 3.76
90 90 130
Li 0.048 0.358 0.000
H 0.172 -0.054 0.000
O 0.780 0.696 0.000 |
Below is a description of a material. | The chemical formula is: SmBr3.
The XRD pattern shows main peaks at: 13.9°(0.62), 19.4°(0.18), 24.0°(0.09), 25.1°(0.09), 30.4°(0.4), 32.1°(1.0), 32.6°(0.4), 34.3°(0.26), 37.7°(0.49), 39.5°(0.1), 42.9°(0.2), 44.8°(0.21), 46.6°(0.07), 47.2°(0.24), 56.5°(0.15), 57.7°(0.11), 59.7°(0.2), 67.2°(0.24), 74.6°(0.08), 78.1°(0.15... | JVASP-3918 | 4.04 6.69 9.13
90 90 107
Sm 0.743 0.486 0.250
Sm 0.257 0.514 0.750
Br 0.354 0.709 0.434
Br 0.646 0.291 0.566
Br 0.918 0.836 0.750
Br 0.082 0.164 0.250
Br 0.354 0.709 0.066
Br 0.646 0.291 0.934 |
Below is a description of a material. | The chemical formula is: SIO.
The XRD pattern shows main peaks at: 10.5°(0.97), 21.2°(0.75), 29.0°(1.0), 30.9°(0.33), 32.0°(0.2), 36.2°(0.78), 41.5°(0.36), 42.9°(0.16), 43.7°(0.34), 47.0°(0.35), 52.8°(0.12), 53.3°(0.18), 60.1°(0.11), 61.3°(0.12), 63.1°(0.16), 64.5°(0.14), 68.1°(0.15), 70.9°(0.12), 72.2°(0.19), 77.2°(0.... | JVASP-115107 | 3.08 3.08 8.40
90 90 90
S 0.000 0.000 0.793
I 0.000 0.000 0.373
O 0.000 0.000 -0.029 |
Below is a description of a material. | The chemical formula is: CeCuSn.
The XRD pattern shows main peaks at: 25.3°(0.11), 32.7°(1.0), 39.1°(0.66), 42.5°(0.1), 48.3°(0.08), 51.9°(0.25), 63.8°(0.19), 66.8°(0.25), 70.9°(0.1), 84.0°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-18270 | 4.61 4.61 7.53
90 90 120
Ce 0.000 0.000 0.512
Ce 0.000 0.000 0.012
Cu 0.667 0.333 0.206
Cu 0.333 0.667 0.706
Sn 0.333 0.667 0.275
Sn 0.667 0.333 0.775 |
Below is a description of a material. | The chemical formula is: Ba2TiMnO6.
The XRD pattern shows main peaks at: 24.0°(0.24), 28.7°(0.62), 31.3°(1.0), 38.7°(0.08), 39.8°(0.22), 43.0°(0.35), 44.8°(0.08), 49.2°(0.16), 54.1°(0.18), 55.6°(0.16), 65.2°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-169143 | 5.72 5.72 9.89
90 73 120
Ba 0.571 0.285 0.144
Ba 0.429 0.715 0.856
Ba 0.259 0.130 0.611
Ba 0.741 0.870 0.389
Ti 0.815 0.407 0.778
Ti 0.185 0.593 0.222
Mn -0.000 0.500 0.500
Mn -0.000 0.000 0.000
O 0.085 0.798 0.117
O 0.596 0.798 0.117
O 0.085 0.287 0.117
O 0.915 0.202 0.883
O 0.404 0.202 0.883
O 0.915 0.713 0.883
O 0.7... |
Below is a description of a material. | The chemical formula is: K3YV2O8.
The XRD pattern shows main peaks at: 11.7°(0.22), 20.9°(0.35), 29.4°(0.78), 30.1°(1.0), 40.0°(0.1), 42.6°(0.45), 50.8°(0.09), 53.0°(0.26), 53.4°(0.18), 58.0°(0.16), 61.0°(0.07), 62.5°(0.19), 70.6°(0.11), 86.7°(0.08).
Generate atomic structure description with lattice lengths, angles, c... | JVASP-175019 | 5.94 5.94 7.53
90 90 120
Y 0.000 0.000 0.500
V 0.333 0.667 0.236
V 0.667 0.333 0.764
O 0.333 0.667 0.014
O 0.667 0.333 0.986
O 0.174 0.826 0.320
O 0.652 0.826 0.320
O 0.174 0.348 0.320
O 0.826 0.174 0.680
O 0.348 0.174 0.680
O 0.826 0.652 0.680
K 0.333 0.667 0.677
K 0.667 0.333 0.323
K 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: NbO.
The XRD pattern shows main peaks at: 20.8°(0.32), 29.6°(0.57), 36.5°(1.0), 42.4°(0.97), 47.7°(0.16), 52.6°(0.22), 61.5°(0.58), 65.7°(0.08), 69.8°(0.08), 73.7°(0.4), 77.6°(0.19), 85.2°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-14492 | 4.26 4.26 4.26
90 90 90
Nb 0.500 0.000 0.500
Nb 0.500 0.500 0.000
Nb 0.000 0.500 0.500
O 0.000 0.500 0.000
O 0.000 0.000 0.500
O 0.500 0.000 0.000 |
Below is a description of a material. | The chemical formula is: CaSb2O6.
The XRD pattern shows main peaks at: 17.7°(0.71), 19.3°(0.3), 26.3°(1.0), 33.7°(0.52), 35.9°(0.1), 38.3°(0.53), 43.3°(0.21), 50.1°(0.6), 55.9°(0.21), 58.9°(0.09), 60.3°(0.21), 63.4°(0.13), 66.1°(0.12), 72.2°(0.1), 77.1°(0.09), 82.1°(0.13), 85.9°(0.05).
Generate atomic structure descrip... | JVASP-150387 | 5.32 5.32 5.00
90 89 120
Ca 0.000 0.000 0.000
Sb 0.667 0.333 0.500
Sb 0.333 0.667 0.500
O -0.000 0.633 0.279
O 0.367 0.367 0.279
O 0.633 0.000 0.279
O 0.633 0.633 0.721
O 0.000 0.367 0.721
O 0.367 0.000 0.721 |
Below is a description of a material. | The chemical formula is: LiCoPO4.
The XRD pattern shows main peaks at: 12.4°(1.0), 18.0°(0.13), 20.7°(0.18), 21.3°(0.08), 25.2°(0.18), 26.6°(0.86), 28.5°(0.09), 30.0°(0.2), 30.9°(0.27), 31.8°(0.37), 36.4°(0.14), 40.5°(0.18), 41.5°(0.19), 42.9°(0.08), 44.0°(0.09), 46.5°(0.1), 47.1°(0.08), 54.8°(0.06), 60.0°(0.06), 60.6°... | JVASP-43243 | 4.54 5.09 7.37
89 103 103
Li 0.734 0.710 0.986
Li 0.266 0.290 0.014
Co 0.964 0.769 0.585
Co 0.036 0.231 0.415
P 0.345 0.813 0.255
P 0.655 0.187 0.745
O 0.150 0.616 0.371
O 0.318 0.089 0.619
O 0.646 0.330 0.925
O 0.198 0.058 0.211
O 0.802 0.942 0.789
O 0.354 0.670 0.075
O 0.682 0.911 0.381
O 0.850 0.384 0.629 |
Below is a description of a material. | The chemical formula is: SbIBr.
The XRD pattern shows main peaks at: 9.1°(0.09), 18.3°(0.14), 26.3°(1.0), 27.6°(0.33), 32.3°(0.14), 37.6°(0.41), 38.5°(0.51), 42.1°(0.07), 47.3°(0.32), 54.2°(0.14), 54.6°(0.14), 61.3°(0.17), 61.9°(0.14), 68.5°(0.2), 74.5°(0.05), 80.6°(0.08), 86.8°(0.06).
Generate atomic structure descrip... | JVASP-117784 | 3.38 3.38 9.68
90 90 90
Sb 0.000 0.000 0.720
I 0.000 0.000 0.364
Br 0.000 0.000 -0.019 |
Below is a description of a material. | The chemical formula is: TbBaO3.
The XRD pattern shows main peaks at: 28.5°(1.0), 40.7°(0.28), 50.5°(0.38), 59.0°(0.18), 66.8°(0.18), 74.1°(0.06), 81.2°(0.2).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-92478 | 4.43 4.43 4.43
90 90 90
Tb 0.000 0.000 0.000
Ba 0.500 0.500 0.500
O 0.000 0.000 0.500
O -0.000 0.500 0.000
O 0.500 -0.000 0.000 |
Below is a description of a material. | The chemical formula is: AgSCl.
The XRD pattern shows main peaks at: 13.8°(0.71), 21.6°(0.99), 27.9°(0.62), 29.4°(0.11), 32.6°(0.58), 33.5°(0.71), 36.4°(0.14), 37.1°(1.0), 40.9°(0.12), 42.2°(0.16), 44.1°(0.31), 49.4°(0.22), 50.9°(0.69), 52.3°(0.17), 54.5°(0.15), 54.9°(0.15), 61.0°(0.22), 68.1°(0.11), 82.4°(0.18), 88.6°... | JVASP-135912 | 3.69 5.35 6.43
90 90 90
Ag 0.500 0.000 0.353
Ag 0.000 0.500 0.647
S 0.000 0.000 0.616
S 0.500 0.500 0.384
Cl 0.000 0.000 0.088
Cl 0.500 0.500 0.912 |
Below is a description of a material. | The chemical formula is: Dy2CuRu.
The XRD pattern shows main peaks at: 26.1°(0.11), 37.2°(1.0), 53.7°(0.17), 67.1°(0.35), 79.3°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-41406 | 4.83 4.83 4.83
60 60 60
Dy 0.500 0.500 0.500
Dy 0.000 0.000 0.000
Cu 0.250 0.250 0.250
Ru 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: NaClO2.
The XRD pattern shows main peaks at: 21.2°(0.3), 28.0°(0.45), 30.3°(0.81), 31.0°(0.59), 31.6°(0.99), 32.2°(0.79), 39.4°(1.0), 50.6°(0.24), 52.2°(0.41), 55.2°(0.24), 56.1°(0.1), 56.7°(0.21), 65.5°(0.17), 67.1°(0.23), 67.7°(0.16), 82.1°(0.1).
Generate atomic structure description with lat... | JVASP-8733 | 4.58 4.58 6.43
70 70 88
Na 0.371 0.629 0.250
Na 0.629 0.371 0.750
Cl 0.146 0.854 0.750
Cl 0.854 0.146 0.250
O 0.154 0.570 0.660
O 0.430 0.846 0.840
O 0.846 0.430 0.340
O 0.570 0.154 0.160 |
Below is a description of a material. | The chemical formula is: MnNb2Mo.
The XRD pattern shows main peaks at: 40.4°(1.0), 58.5°(0.16), 73.5°(0.33), 87.4°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-187890 | 4.46 4.46 4.46
60 59 59
Mo 0.250 0.250 0.250
Mn 0.750 0.750 0.750
Nb 0.000 0.000 0.000
Nb 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Dy2CO5.
The XRD pattern shows main peaks at: 11.7°(0.42), 23.4°(0.35), 26.5°(0.26), 27.2°(0.69), 27.7°(0.33), 29.1°(0.19), 29.6°(0.12), 32.0°(1.0), 32.4°(0.39), 35.7°(0.12), 46.5°(0.22), 47.5°(0.45), 52.7°(0.1), 53.6°(0.17), 55.0°(0.08), 57.9°(0.19), 59.0°(0.1), 77.1°(0.08), 78.3°(0.09), 79.0°(... | JVASP-163709 | 3.90 3.83 15.17
90 89 120
Dy 0.324 0.665 0.093
Dy 0.324 0.665 0.407
Dy 0.659 0.335 0.593
Dy 0.659 0.335 0.907
C 0.841 0.928 0.250
C 0.913 0.072 0.750
O 0.325 0.662 0.558
O 0.021 0.014 0.326
O 0.021 0.014 0.174
O 0.007 0.986 0.674
O 0.007 0.986 0.826
O 0.325 0.662 0.942
O 0.461 0.746 0.250
O 0.662 0.338 0.058
O 0.662 0.... |
Below is a description of a material. | The chemical formula is: Yb2NiSb2.
The XRD pattern shows main peaks at: 24.2°(0.07), 28.1°(1.0), 39.9°(0.64), 40.3°(0.54), 49.5°(0.22), 50.2°(0.06), 58.0°(0.18), 65.4°(0.19), 66.0°(0.16), 72.8°(0.19), 86.1°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-100785 | 7.72 7.72 7.72
34 34 34
Yb 0.994 0.994 0.994
Yb 0.506 0.506 0.506
Ni 0.375 0.375 0.375
Sb 0.746 0.746 0.746
Sb 0.253 0.253 0.253 |
Below is a description of a material. | The chemical formula is: NbClO2.
The XRD pattern shows main peaks at: 17.7°(0.79), 24.3°(1.0), 27.6°(0.2), 29.2°(0.25), 35.3°(0.12), 35.9°(0.18), 36.4°(0.32), 38.7°(0.19), 40.1°(0.24), 41.2°(0.14), 46.2°(0.18), 49.4°(0.11), 49.8°(0.09), 51.1°(0.13), 53.2°(0.05), 55.0°(0.06), 55.7°(0.14), 60.2°(0.1), 62.6°(0.07).
Genera... | JVASP-138631 | 3.32 3.93 5.50
110 102 90
Nb 0.165 0.010 0.024
Cl -0.175 0.163 0.413
O 0.189 0.495 0.062
O 0.595 0.873 0.825 |
Below is a description of a material. | The chemical formula is: Ba2NaOsO6.
The XRD pattern shows main peaks at: 18.4°(0.35), 30.3°(1.0), 43.4°(0.3), 53.8°(0.39), 63.0°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-23798 | 5.90 5.90 5.90
60 60 60
Ba 0.250 0.250 0.250
Ba 0.750 0.750 0.750
Na 0.500 0.500 0.500
Os 0.000 0.000 0.000
O 0.229 0.771 0.771
O 0.229 0.771 0.229
O 0.771 0.229 0.771
O 0.229 0.229 0.771
O 0.771 0.229 0.229
O 0.771 0.771 0.229 |
Below is a description of a material. | The chemical formula is: CrTcGe2.
The XRD pattern shows main peaks at: 10.9°(1.0), 12.4°(0.38), 18.1°(0.17), 20.7°(0.25), 22.0°(0.2), 24.9°(0.08), 28.0°(0.12), 30.9°(0.09), 32.6°(0.08), 33.2°(0.07), 38.7°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-80453 | 9.71 9.94 9.94
59 60 60
Cr 0.000 0.000 0.000
Tc 0.500 0.000 -0.000
Ge 0.746 -0.000 -0.000
Ge 0.254 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Nb10C7.
The XRD pattern shows main peaks at: 34.6°(1.0), 40.3°(0.64), 58.1°(0.36), 58.5°(0.1), 69.4°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-34187 | 6.36 15.87 5.51
29 54 60
Nb 0.017 0.208 0.956
Nb 0.991 0.805 0.996
Nb 0.509 0.395 0.004
Nb 0.987 0.600 0.027
Nb 0.483 0.208 0.004
Nb 0.991 0.395 0.019
Nb 0.483 0.992 0.044
Nb 0.513 0.600 0.973
Nb 0.509 0.805 0.981
Nb 0.017 0.992 0.996
C 0.750 0.801 0.497
C 0.750 0.600 0.500
C 0.250 0.802 0.494
C 0.750 0.399 0.503
C 0.2... |
Below is a description of a material. | The chemical formula is: CdAsIr.
The XRD pattern shows main peaks at: 24.5°(0.42), 28.3°(0.22), 40.5°(1.0), 47.8°(0.21), 50.1°(0.06), 58.6°(0.16), 64.4°(0.1), 66.3°(0.08), 73.6°(0.36), 78.9°(0.07), 87.5°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-75678 | 4.46 4.46 4.46
60 60 60
Cd 0.750 0.750 0.750
As 0.500 0.500 0.500
Ir 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Zn2GeSe3.
The XRD pattern shows main peaks at: 25.5°(0.93), 26.6°(1.0), 41.6°(0.25), 43.2°(0.89), 44.5°(0.23), 50.1°(0.28), 51.0°(0.15), 52.0°(0.27), 62.5°(0.13), 68.4°(0.07), 70.0°(0.11), 71.3°(0.05), 78.4°(0.06), 80.4°(0.06), 81.1°(0.14), 86.1°(0.06).
Generate atomic structure description wit... | JVASP-139037 | 7.44 7.44 7.44
148 57 133
Zn 0.078 0.249 0.829
Zn 0.420 0.249 0.171
Ge 0.746 0.246 0.500
Se 0.668 0.986 0.681
Se 0.305 0.986 0.319
Se 0.045 0.045 0.000 |
Below is a description of a material. | The chemical formula is: CdTeMoO6.
The XRD pattern shows main peaks at: 9.7°(0.18), 19.5°(0.07), 23.7°(0.16), 25.6°(0.55), 29.4°(0.11), 30.8°(1.0), 33.7°(0.32), 45.4°(0.28), 48.4°(0.26), 53.0°(0.14), 55.6°(0.11), 56.1°(0.13), 57.7°(0.09), 58.5°(0.35), 64.4°(0.11), 70.9°(0.07), 77.2°(0.1), 79.3°(0.07), 80.8°(0.07), 88.3... | JVASP-29516 | 5.32 5.32 9.11
90 90 90
Cd 0.000 0.000 0.500
Cd 0.500 0.500 0.500
Te 0.500 0.000 0.763
Te 0.000 0.500 0.237
Mo 0.500 0.000 0.183
Mo 0.000 0.500 0.817
O 0.818 0.682 0.933
O 0.306 0.194 0.626
O 0.283 0.217 0.284
O 0.694 0.806 0.626
O 0.217 0.717 0.716
O 0.194 0.694 0.374
O 0.806 0.306 0.374
O 0.182 0.318 0.933
O 0.318 0.... |
Below is a description of a material. | The chemical formula is: RbSrCO3F.
The XRD pattern shows main peaks at: 18.5°(0.06), 19.3°(0.31), 26.8°(1.0), 33.7°(0.62), 37.5°(0.28), 39.1°(0.15), 42.5°(0.09), 43.6°(0.49), 51.3°(0.38), 55.3°(0.11), 56.3°(0.2), 60.3°(0.1), 61.4°(0.1), 70.9°(0.09), 71.9°(0.1), 73.2°(0.12), 83.1°(0.13), 89.7°(0.07).
Generate atomic str... | JVASP-100468 | 5.31 5.31 4.80
90 90 120
Rb 0.667 0.333 0.000
Sr 0.000 0.000 0.500
C 0.333 0.667 0.500
O 0.474 0.949 0.500
O 0.474 0.526 0.500
O 0.051 0.526 0.500
F 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Ag2S.
The XRD pattern shows main peaks at: 25.6°(0.19), 28.3°(0.33), 33.2°(1.0), 35.4°(0.2), 37.6°(0.3), 43.3°(0.17), 45.1°(0.24), 47.8°(0.13), 49.3°(0.14), 52.6°(0.12), 57.8°(0.07), 58.5°(0.1), 60.1°(0.07), 63.7°(0.13), 65.2°(0.13), 67.7°(0.08), 70.3°(0.08), 71.7°(0.11).
Generate atomic struct... | JVASP-34566 | 4.23 7.39 4.23
90 111 90
Ag 0.115 0.750 0.884
Ag 0.885 0.250 0.116
Ag 0.500 0.000 0.500
Ag 0.500 0.500 0.500
S 0.725 0.750 0.275
S 0.275 0.250 0.725 |
Below is a description of a material. | The chemical formula is: Mg2FeWO6.
The XRD pattern shows main peaks at: 19.1°(0.19), 20.9°(0.46), 23.6°(1.0), 32.5°(0.68), 34.7°(0.47), 38.0°(0.1), 38.7°(0.05), 39.9°(0.24), 42.4°(0.15), 48.3°(0.27), 52.9°(0.38), 56.6°(0.09), 60.9°(0.25), 62.3°(0.21).
Generate atomic structure description with lattice lengths, angles, ... | JVASP-9895 | 5.16 5.16 5.53
90 117 119
Mg 0.428 0.705 0.135
Mg 0.428 0.205 0.635
Fe -0.001 0.490 0.491
W 0.017 -0.001 0.018
O 0.193 0.903 0.822
O 0.918 0.104 0.306
O 0.549 0.627 0.822
O 0.917 0.271 0.822
O 0.200 0.795 0.306
O 0.508 0.385 0.306 |
Below is a description of a material. | The chemical formula is: YCu2O4.
The XRD pattern shows main peaks at: 28.9°(0.26), 32.0°(0.4), 36.6°(1.0), 49.9°(0.2), 54.6°(0.11), 56.4°(0.15), 59.5°(0.12), 60.0°(0.26), 65.8°(0.08), 66.9°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-12804 | 5.67 5.67 6.27
116 116 90
Y 0.875 0.125 0.750
Y 0.125 0.875 0.250
Cu 0.500 0.000 -0.000
Cu 0.500 0.500 -0.000
Cu -0.000 0.500 0.500
Cu 0.500 0.500 0.500
O 0.720 0.530 0.854
O 0.135 0.825 0.854
O 0.280 0.470 0.146
O 0.865 0.175 0.146
O 0.530 0.135 0.354
O 0.825 0.720 0.354
O 0.175 0.280 0.646
O 0.470 0.865 0.646 |
Below is a description of a material. | The chemical formula is: Rb.
The XRD pattern shows main peaks at: 22.3°(1.0), 23.5°(0.54), 24.7°(0.3), 27.9°(0.09), 31.8°(0.08), 33.5°(0.07), 38.4°(0.38), 39.2°(0.06), 40.7°(0.29), 41.4°(0.09), 44.9°(0.08), 45.5°(0.11), 46.9°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and ato... | JVASP-142194 | 11.95 11.95 11.95
90 90 90
Rb 0.875 0.702 0.048
Rb 0.702 0.048 0.875
Rb 0.311 0.189 0.811
Rb 0.952 0.375 0.798
Rb 0.048 0.875 0.702
Rb 0.689 0.689 0.689
Rb 0.298 0.548 0.625
Rb 0.439 0.939 0.561
Rb 0.625 0.298 0.548
Rb 0.125 0.202 0.452
Rb 0.939 0.561 0.439
Rb 0.798 0.952 0.375
Rb 0.189 0.811 0.311
Rb 0.548 0.625 0.298... |
Below is a description of a material. | The chemical formula is: Na2TlPb.
The XRD pattern shows main peaks at: 20.2°(0.52), 25.0°(0.63), 32.4°(1.0), 35.7°(0.41), 41.3°(0.27), 48.6°(0.11), 51.4°(0.14), 55.5°(0.17), 57.9°(0.07), 62.0°(0.26), 67.7°(0.07), 69.3°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types... | JVASP-80951 | 13.36 9.09 9.09
32 19 19
Na 0.750 -0.000 -0.000
Na 0.250 0.000 0.000
Tl 0.000 0.000 0.000
Pb 0.500 -0.000 0.000 |
Below is a description of a material. | The chemical formula is: BaCo2As2.
The XRD pattern shows main peaks at: 14.0°(0.05), 28.1°(0.08), 30.9°(1.0), 32.0°(0.16), 35.0°(0.37), 42.3°(0.08), 45.9°(0.35), 54.4°(0.39), 56.3°(0.35), 66.9°(0.11), 75.5°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-17754 | 3.96 3.96 6.93
106 106 90
Ba 0.000 0.000 0.000
Co 0.250 0.750 0.500
Co 0.750 0.250 0.500
As 0.652 0.652 0.305
As 0.348 0.348 0.695 |
Below is a description of a material. | The chemical formula is: SrLiGaF6.
The XRD pattern shows main peaks at: 19.8°(0.07), 21.6°(0.4), 26.2°(1.0), 32.7°(0.11), 34.6°(0.19), 38.8°(0.19), 40.1°(0.13), 43.9°(0.2), 48.3°(0.05), 49.7°(0.5), 57.1°(0.24), 62.0°(0.16), 79.1°(0.1), 83.4°(0.08).
Generate atomic structure description with lattice lengths, angles, coo... | JVASP-170321 | 5.18 5.18 10.39
90 90 120
Sr 0.000 0.000 -0.000
Sr 0.000 0.000 0.500
Li 0.333 0.667 0.750
Li 0.667 0.333 0.250
Ga 0.667 0.333 0.750
Ga 0.333 0.667 0.250
F 0.985 0.363 0.855
F 0.015 0.637 0.145
F 0.378 0.015 0.855
F 0.378 0.363 0.645
F 0.622 0.985 0.145
F 0.622 0.637 0.355
F 0.637 0.622 0.855
F 0.637 0.015 0.645
F 0.363... |
Below is a description of a material. | The chemical formula is: NbFeAs.
The XRD pattern shows main peaks at: 27.0°(0.2), 31.3°(0.32), 44.8°(1.0), 53.1°(0.08), 55.7°(0.08), 65.2°(0.15), 74.1°(0.11), 82.6°(0.3).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-161023 | 4.05 4.05 4.05
60 60 60
Nb 0.750 0.750 0.750
Fe 0.000 0.000 0.000
As 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: PrCu2As2.
The XRD pattern shows main peaks at: 30.9°(0.07), 31.5°(0.21), 32.2°(0.94), 35.2°(1.0), 44.7°(0.14), 45.2°(0.94), 56.5°(0.39), 57.8°(0.2), 64.3°(0.09), 65.8°(0.44), 75.1°(0.08), 76.9°(0.17), 82.1°(0.18), 83.4°(0.07).
Generate atomic structure description with lattice lengths, angles, ... | JVASP-156062 | 6.45 6.45 6.45
143 143 52
Pr 0.000 0.000 0.000
Cu 0.750 0.250 0.500
Cu 0.250 0.750 0.500
As 0.375 0.375 0.000
As 0.625 0.625 -0.000 |
Below is a description of a material. | The chemical formula is: K2NaFeO3.
The XRD pattern shows main peaks at: 13.2°(0.12), 16.2°(0.18), 21.0°(0.28), 28.3°(0.07), 31.4°(0.68), 32.8°(1.0), 35.5°(0.07), 39.3°(0.84), 52.0°(0.36), 57.6°(0.24), 58.5°(0.24), 62.9°(0.17), 68.0°(0.05), 68.7°(0.12), 72.8°(0.08), 82.1°(0.06).
Generate atomic structure description wit... | JVASP-57300 | 6.30 6.31 6.69
90 90 119
K 0.250 0.000 0.662
K 0.750 0.000 0.338
K 0.750 0.500 0.000
K 0.250 0.500 0.000
Na 0.250 0.500 0.500
Na 0.750 0.500 0.500
Fe 0.250 0.000 0.168
Fe 0.750 0.000 0.832
O 0.895 0.290 0.685
O 0.500 0.000 0.000
O 0.605 0.710 0.685
O 0.105 0.710 0.315
O 0.000 0.000 0.000
O 0.395 0.290 0.315 |
Below is a description of a material. | The chemical formula is: Te3MoWSe.
The XRD pattern shows main peaks at: 2.6°(1.0), 5.2°(0.85), 7.7°(0.36), 12.9°(0.19), 29.4°(0.19), 52.1°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-28854 | 3.51 3.51 34.27
89 90 120
Te 0.333 0.666 0.736
Te 0.668 0.336 0.022
Te 0.666 0.332 0.418
Te 0.667 0.333 0.130
Te 0.665 0.331 0.525
Te 0.334 0.669 0.628
Mo 0.333 0.665 0.471
Mo 0.667 0.333 0.273
W 0.334 0.667 0.076
W 0.667 0.334 0.682
Se 0.333 0.666 0.321
Se 0.334 0.668 0.226 |
Below is a description of a material. | The chemical formula is: LiBeTc2.
The XRD pattern shows main peaks at: 15.3°(1.0), 33.8°(0.46), 42.8°(0.33), 43.5°(0.64), 45.7°(0.23), 56.7°(0.13), 62.2°(0.11), 64.4°(0.1), 65.5°(0.06), 72.7°(0.09), 78.9°(0.2), 80.4°(0.09), 89.1°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-71225 | 2.99 2.99 5.80
90 90 90
Li 0.500 0.500 0.725
Be 0.000 0.000 0.502
Tc 0.000 0.000 0.018
Tc 0.500 0.500 0.255 |
Below is a description of a material. | The chemical formula is: Li2MnCoO4.
The XRD pattern shows main peaks at: 8.6°(0.08), 18.6°(1.0), 35.0°(0.17), 37.0°(0.25), 38.0°(0.12), 41.9°(0.26), 45.1°(0.47), 47.8°(0.09), 59.5°(0.09), 63.2°(0.11), 65.4°(0.06), 66.0°(0.07), 81.3°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates ... | JVASP-144285 | 5.00 5.00 10.32
83 83 32
Li 0.500 0.500 0.000
Li 0.012 0.012 0.234
Li 0.500 0.500 0.500
Li 0.988 0.988 0.766
Mn 0.265 0.265 0.362
Mn 0.735 0.735 0.638
Co 0.240 0.240 0.882
Co 0.760 0.760 0.118
O 0.621 0.621 0.830
O 0.148 0.148 0.058
O 0.653 0.653 0.296
O 0.125 0.125 0.573
O 0.379 0.379 0.170
O 0.875 0.875 0.427
O 0.347... |
Below is a description of a material. | The chemical formula is: ScGeAu.
The XRD pattern shows main peaks at: 24.6°(0.97), 28.5°(0.07), 40.7°(1.0), 48.1°(0.49), 58.9°(0.17), 74.1°(0.31), 88.1°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-40810 | 4.43 4.43 4.43
60 59 59
Sc 0.500 0.500 0.500
Ge -0.000 0.000 1.000
Au 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: LiYIr.
The XRD pattern shows main peaks at: 21.5°(0.82), 30.6°(0.34), 37.7°(1.0), 43.8°(0.13), 49.3°(0.57), 54.4°(0.14), 59.1°(0.11), 68.1°(0.28), 76.5°(0.28), 80.5°(0.09), 88.5°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-116211 | 4.77 4.77 2.92
90 90 120
Li 0.333 0.667 0.000
Y 0.667 0.333 0.000
Ir 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: LiC3.
The XRD pattern shows main peaks at: 13.3°(0.18), 26.8°(1.0), 40.8°(0.34), 55.2°(0.07), 57.2°(0.09), 69.5°(0.09), 76.0°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-124866 | 2.70 2.70 6.66
90 90 120
Li 0.000 0.000 0.000
C 0.000 0.000 0.500
C 0.667 0.333 0.000
C 0.333 0.667 0.500 |
Below is a description of a material. | The chemical formula is: Ta2Mo.
The XRD pattern shows main peaks at: 29.0°(0.09), 39.0°(1.0), 39.3°(0.51), 55.9°(0.09), 56.8°(0.16), 70.5°(0.18), 71.1°(0.36), 83.8°(0.11), 84.6°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-193011 | 3.24 3.24 5.44
107 107 90
Mo -0.000 -0.000 -0.000
Ta 0.660 0.660 0.320
Ta 0.340 0.340 0.680 |
Below is a description of a material. | The chemical formula is: MoWSe2S2.
The XRD pattern shows main peaks at: 6.8°(1.0), 13.7°(0.89), 31.7°(0.34), 32.5°(0.15), 34.7°(0.2), 38.1°(0.95), 47.6°(0.45), 56.5°(0.25), 70.2°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-93516 | 3.26 3.26 12.97
90 89 119
Mo 0.666 0.334 0.551
W 0.334 0.666 0.051
Se 0.667 0.333 0.919
Se 0.667 0.333 0.183
S 0.333 0.667 0.670
S 0.333 0.667 0.432 |
Below is a description of a material. | The chemical formula is: TlCu2HSe2O10.
The XRD pattern shows main peaks at: 18.9°(0.75), 20.3°(0.44), 22.0°(0.2), 22.8°(0.14), 25.4°(1.0), 28.7°(0.5), 31.2°(0.53), 32.6°(0.68), 33.8°(0.48), 35.1°(0.35), 36.6°(0.43), 38.3°(0.18), 41.2°(0.15), 45.6°(0.14), 46.5°(0.22), 49.2°(0.15), 50.2°(0.14), 52.3°(0.19), 53.8°(0.28), ... | JVASP-145715 | 5.39 5.39 8.54
70 70 69
Tl 0.000 0.000 0.000
Cu 0.500 0.000 0.500
Cu 0.000 0.500 0.500
H 0.000 0.000 0.500
Se 0.552 0.552 0.233
Se 0.448 0.448 0.767
O 0.657 0.201 0.281
O 0.343 0.799 0.719
O 0.799 0.343 0.719
O 0.201 0.657 0.281
O 0.849 0.849 0.546
O 0.151 0.151 0.454
O 0.335 0.335 0.975
O 0.665 0.665 0.025
O 0.661 0.6... |
Below is a description of a material. | The chemical formula is: MnV2W.
The XRD pattern shows main peaks at: 25.9°(0.34), 29.9°(0.22), 42.9°(1.0), 50.7°(0.19), 53.2°(0.06), 62.2°(0.17), 68.5°(0.08), 70.6°(0.09), 78.5°(0.35), 84.3°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-157295 | 4.22 4.22 4.22
60 60 60
Mn 0.250 0.250 0.250
V 0.000 0.000 0.000
V 0.500 0.500 0.500
W 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: WBr4O.
The XRD pattern shows main peaks at: 13.8°(0.76), 19.5°(0.21), 25.2°(1.0), 31.1°(0.79), 32.0°(0.28), 37.8°(0.23), 39.6°(0.17), 42.2°(0.07), 42.9°(0.2), 44.6°(0.29), 47.5°(0.44), 55.9°(0.2), 57.7°(0.24), 59.2°(0.1), 59.8°(0.16).
Generate atomic structure description with lattice lengths, ... | JVASP-5863 | 3.84 6.71 6.71
85 73 73
W 0.052 0.000 0.000
Br 0.270 0.811 0.665
Br 0.746 0.189 0.335
Br 0.081 0.665 0.189
Br 0.935 0.335 0.811
O 0.523 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Tl2Bi2Te3Se.
The XRD pattern shows main peaks at: 23.9°(0.28), 27.4°(0.66), 27.7°(1.0), 39.4°(0.89), 48.8°(0.49), 56.5°(0.07), 57.1°(0.08), 64.1°(0.19), 64.8°(0.26), 71.7°(0.2).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-108060 | 7.95 7.95 7.95
132 132 69
Tl 0.499 0.999 0.500
Tl 0.240 0.240 0.000
Bi 0.998 0.498 0.500
Bi 0.762 0.762 0.000
Te 0.760 0.260 0.500
Te 0.512 0.512 0.000
Te 0.240 0.740 0.500
Se 0.985 0.985 -0.000 |
Below is a description of a material. | The chemical formula is: Ba2PdS3.
The XRD pattern shows main peaks at: 11.3°(0.08), 22.7°(0.09), 25.2°(0.47), 26.6°(0.65), 27.6°(1.0), 34.3°(0.27), 35.2°(0.12), 36.0°(0.25), 37.5°(0.26), 41.3°(0.22), 44.6°(0.32), 46.6°(0.29), 49.0°(0.16), 51.8°(0.14), 52.4°(0.08), 54.7°(0.19), 57.0°(0.16), 61.9°(0.09), 67.1°(0.08), 68.... | JVASP-181250 | 8.49 8.49 8.49
150 147 44
Ba 0.644 0.644 -0.000
Ba 0.356 0.356 0.000
Pd 0.000 0.000 -0.000
S 0.845 0.845 -0.000
S 0.155 0.155 0.000
S 0.500 0.000 0.500 |
Below is a description of a material. | The chemical formula is: YCuO.
The XRD pattern shows main peaks at: 19.5°(0.06), 27.5°(0.19), 33.9°(1.0), 39.6°(0.17), 48.6°(0.28), 60.6°(0.17), 64.4°(0.23), 68.2°(0.12), 81.2°(0.14), 88.1°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-182995 | 3.75 3.75 4.55
90 90 120
Y 0.667 0.333 0.500
Cu -0.000 -0.000 -0.000
O 0.333 0.667 0.500 |
Below is a description of a material. | The chemical formula is: ZrFe6Sn6.
The XRD pattern shows main peaks at: 27.8°(0.16), 30.2°(0.08), 33.4°(1.0), 36.0°(0.39), 38.8°(0.25), 39.3°(0.75), 40.7°(0.27), 44.0°(0.75), 45.3°(0.24), 45.7°(0.19), 49.9°(0.13), 53.6°(0.13), 59.7°(0.2), 61.4°(0.17), 63.6°(0.19), 68.1°(0.15), 70.2°(0.3), 84.4°(0.19), 86.6°(0.1).
Gener... | JVASP-170290 | 5.37 5.37 8.87
90 90 120
Zr 0.000 -0.000 -0.000
Fe 0.500 0.500 0.753
Fe 0.500 0.500 0.247
Fe 0.000 0.500 0.753
Fe -0.000 0.500 0.247
Fe 0.500 0.000 0.753
Fe 0.500 -0.000 0.247
Sn 0.000 0.000 0.669
Sn -0.000 -0.000 0.331
Sn 0.667 0.333 -0.000
Sn 0.333 0.667 -0.000
Sn 0.667 0.333 0.500
Sn 0.333 0.667 0.500 |
Below is a description of a material. | The chemical formula is: LiPrAu2.
The XRD pattern shows main peaks at: 21.7°(0.16), 25.1°(0.26), 35.8°(1.0), 44.3°(0.08), 51.6°(0.19), 64.4°(0.4), 76.0°(0.12), 87.0°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-109056 | 5.01 5.01 5.01
60 60 59
Li 0.500 0.500 0.500
Pr 0.000 0.000 0.000
Au 0.750 0.750 0.750
Au 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: Nd2CdS4.
The XRD pattern shows main peaks at: 25.0°(0.66), 25.6°(1.0), 32.1°(0.54), 33.5°(0.89), 38.7°(0.4), 39.4°(0.28), 39.8°(0.32), 46.3°(0.27), 47.7°(0.22), 48.2°(0.19), 49.7°(0.37), 55.4°(0.2), 65.1°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-13354 | 7.43 7.43 7.43
110 110 106
Nd 0.114 0.750 0.864
Nd 0.250 0.614 0.364
Nd 0.386 0.250 0.636
Nd 0.750 0.886 0.136
Cd 0.625 0.375 0.250
Cd 0.875 0.125 0.750
S 0.007 0.880 0.513
S 0.120 0.134 0.127
S 0.380 0.507 0.013
S 0.493 0.007 0.873
S 0.634 0.620 0.627
S 0.507 0.993 0.373
S 0.866 0.493 0.987
S 0.993 0.366 0.487 |
Below is a description of a material. | The chemical formula is: BaPbBr.
The XRD pattern shows main peaks at: 9.5°(0.13), 19.1°(0.1), 23.5°(1.0), 25.4°(0.07), 28.9°(0.26), 30.5°(0.14), 33.5°(0.37), 37.5°(0.49), 38.8°(0.08), 44.8°(0.31), 48.0°(0.14), 54.1°(0.19), 55.1°(0.06), 57.0°(0.16), 62.5°(0.24), 77.7°(0.07), 80.1°(0.07), 82.5°(0.06), 87.3°(0.1).
Generat... | JVASP-137868 | 3.79 3.79 9.28
90 90 90
Ba 0.000 0.000 0.372
Pb 0.000 0.000 0.001
Br 0.000 0.000 0.696 |
Below is a description of a material. | The chemical formula is: PrDyIn2.
The XRD pattern shows main peaks at: 33.2°(1.0), 47.7°(0.17), 59.3°(0.37), 69.7°(0.11), 79.4°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-109584 | 5.40 5.40 5.40
60 60 60
Pr 0.000 0.000 0.000
Dy 0.500 0.500 0.500
In 0.250 0.250 0.250
In 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: RbSbF2.
The XRD pattern shows main peaks at: 14.5°(0.06), 28.4°(1.0), 29.2°(0.26), 34.6°(0.55), 38.4°(0.1), 45.9°(0.3), 49.8°(0.18), 51.3°(0.27), 58.3°(0.27), 58.8°(0.14), 71.7°(0.05), 73.0°(0.06), 74.3°(0.17), 80.5°(0.06), 83.4°(0.12).
Generate atomic structure description with lattice lengths... | JVASP-138938 | 3.66 3.66 6.11
90 90 90
Rb 0.500 0.500 0.539
Sb 0.000 0.000 -0.002
F 0.000 0.000 0.350
F 0.500 0.500 0.124 |
Below is a description of a material. | The chemical formula is: Tb2IrRh.
The XRD pattern shows main peaks at: 37.1°(1.0), 53.4°(0.19), 66.8°(0.39), 78.9°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-40381 | 4.85 4.85 4.85
60 60 60
Tb 0.000 0.000 0.000
Tb 0.500 0.500 0.500
Ir 0.250 0.250 0.250
Rh 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: YbAlGa.
The XRD pattern shows main peaks at: 22.9°(0.38), 26.0°(0.06), 33.6°(1.0), 40.2°(0.41), 46.8°(0.06), 49.6°(0.08), 53.4°(0.27), 55.3°(0.07), 65.7°(0.2), 68.9°(0.24), 73.2°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-93854 | 4.48 4.48 7.35
90 90 119
Yb 0.000 0.000 0.500
Yb 0.000 0.000 0.000
Al 0.667 0.333 0.750
Al 0.333 0.667 0.250
Ga 0.667 0.333 0.250
Ga 0.333 0.667 0.750 |
Below is a description of a material. | The chemical formula is: Ba3GeS.
The XRD pattern shows main peaks at: 14.9°(0.12), 25.9°(1.0), 30.0°(0.68), 33.6°(0.06), 42.9°(0.5), 50.8°(0.47), 53.2°(0.17), 62.3°(0.08), 68.6°(0.18), 70.7°(0.23), 78.6°(0.16), 84.5°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-182460 | 5.96 5.96 5.96
90 90 90
Ba 0.000 0.500 0.500
Ba 0.500 0.000 0.500
Ba 0.500 0.500 0.000
Ge 0.000 0.000 0.000
S 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: NaYF.
The XRD pattern shows main peaks at: 13.5°(1.0), 24.2°(0.09), 26.8°(0.65), 27.1°(0.33), 27.8°(0.74), 30.1°(0.29), 36.7°(0.22), 38.5°(0.27), 39.0°(0.59), 46.0°(0.23), 48.4°(0.2), 49.6°(0.11), 55.2°(0.08), 56.1°(0.26), 57.3°(0.16), 59.1°(0.08), 62.9°(0.14), 64.5°(0.11), 76.4°(0.1).
Generate... | JVASP-138897 | 6.57 3.68 3.33
90 90 89
Na 0.378 -0.085 0.000
Y -0.160 0.414 0.000
F 0.030 -0.086 0.000 |
Below is a description of a material. | The chemical formula is: Rb3Cu8S6.
The XRD pattern shows main peaks at: 10.3°(0.16), 11.8°(0.8), 25.1°(0.14), 28.2°(0.15), 30.0°(0.43), 30.9°(0.54), 34.8°(1.0), 36.3°(0.1), 38.1°(0.62), 42.3°(0.16), 43.7°(0.15), 46.5°(0.38), 48.6°(0.26), 51.3°(0.11), 51.9°(0.4), 54.0°(0.1), 54.8°(0.14), 57.0°(0.14), 69.6°(0.16), 74.6°(... | JVASP-86013 | 3.90 9.15 9.90
106 90 102
Rb 0.310 0.619 0.698
Rb 0.690 0.381 0.302
Rb 0.500 0.000 0.000
Cu 0.480 0.961 0.358
Cu 0.905 0.811 0.202
Cu 0.696 0.392 0.910
Cu 0.093 0.186 0.537
Cu 0.095 0.189 0.798
Cu 0.907 0.814 0.463
Cu 0.520 0.039 0.642
Cu 0.304 0.608 0.090
S 0.346 0.692 0.352
S 0.654 0.308 0.648
S 0.836 0.672 0.978
S 0... |
Below is a description of a material. | The chemical formula is: Ni2P2Rh.
The XRD pattern shows main peaks at: 25.9°(0.17), 38.2°(0.36), 39.5°(1.0), 49.0°(0.39), 56.1°(0.16), 63.8°(0.15), 64.6°(0.11), 71.8°(0.13), 77.6°(0.12), 85.2°(0.23).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-184417 | 5.27 5.27 5.27
138 138 59
Ni 0.250 0.750 0.500
Ni 0.750 0.250 0.500
P 0.614 0.614 -0.000
P 0.386 0.386 0.000
Rh -0.000 -0.000 0.000 |
Below is a description of a material. | The chemical formula is: SiPbO.
The XRD pattern shows main peaks at: 22.2°(1.0), 28.6°(0.35), 36.5°(0.59), 39.0°(0.44), 45.3°(0.17), 49.0°(0.45), 54.4°(0.18), 61.3°(0.13), 64.0°(0.12), 69.0°(0.19), 70.6°(0.08), 73.1°(0.13), 77.8°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-116396 | 4.62 4.62 3.12
90 90 120
Si 0.667 0.333 0.000
Pb 0.333 0.667 0.000
O 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Ru2Pt.
The XRD pattern shows main peaks at: 13.1°(0.13), 26.5°(0.08), 38.0°(0.05), 40.4°(1.0), 46.9°(0.58), 68.4°(0.2), 68.7°(0.18), 82.7°(0.25), 87.4°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-190609 | 2.73 2.73 6.74
90 90 120
Ru 0.333 0.667 0.653
Ru 0.667 0.333 0.347
Pt 0.000 0.000 -0.000 |
Below is a description of a material. | The chemical formula is: CaC2.
The XRD pattern shows main peaks at: 25.1°(0.18), 26.1°(0.09), 26.8°(0.06), 27.9°(0.16), 30.6°(0.41), 31.3°(1.0), 39.6°(0.11), 41.7°(0.1), 43.7°(0.29), 44.9°(0.12), 46.5°(0.13), 47.1°(0.13), 47.7°(0.16), 50.5°(0.09), 51.5°(0.06), 57.7°(0.09), 59.3°(0.05), 68.1°(0.05), 79.1°(0.05).
Generat... | JVASP-8195 | 3.81 4.05 7.42
104 90 118
Ca 0.797 0.595 0.753
Ca 0.203 0.405 0.247
C 0.079 0.159 0.565
C 0.921 0.841 0.435
C 0.452 0.905 0.059
C 0.548 0.095 0.941 |
Below is a description of a material. | The chemical formula is: SmPuO3.
The XRD pattern shows main peaks at: 20.5°(0.09), 29.1°(1.0), 41.7°(0.28), 51.7°(0.43), 60.4°(0.19), 68.5°(0.19), 76.1°(0.06), 83.5°(0.22).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-37620 | 4.33 4.33 4.33
90 90 90
Sm 0.000 0.000 0.000
Pu 0.500 0.500 0.500
O 0.500 0.000 0.500
O 0.000 0.500 0.500
O 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: Tb2O3.
The XRD pattern shows main peaks at: 27.9°(0.29), 30.5°(0.3), 31.9°(1.0), 41.8°(0.27), 49.3°(0.34), 55.1°(0.3), 59.1°(0.29), 59.9°(0.19), 66.6°(0.06), 77.0°(0.11), 81.2°(0.15), 84.4°(0.11), 87.1°(0.06), 89.0°(0.08).
Generate atomic structure description with lattice lengths, angles, coor... | JVASP-7766 | 3.70 3.70 5.86
90 90 120
Tb 0.667 0.333 0.752
Tb 0.333 0.667 0.248
O 0.667 0.333 0.354
O 0.333 0.667 0.646
O 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: TaWO3.
The XRD pattern shows main peaks at: 31.5°(1.0), 45.2°(0.26), 56.1°(0.4), 65.8°(0.17), 74.8°(0.18), 83.4°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-184671 | 4.01 4.01 4.01
90 90 90
Ta 0.500 0.500 0.500
W 0.000 0.000 0.000
O 0.500 0.500 0.000
O 0.500 0.000 0.500
O 0.000 0.500 0.500 |
Below is a description of a material. | The chemical formula is: BaSrSi4.
The XRD pattern shows main peaks at: 18.8°(0.2), 23.0°(0.08), 29.9°(1.0), 32.8°(0.46), 45.0°(0.14), 51.0°(0.19), 54.9°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-171755 | 6.69 6.69 6.69
89 90 90
Ba 0.875 0.626 0.376
Ba 0.375 0.874 0.624
Sr 0.625 0.375 0.875
Sr 0.125 0.125 0.125
Si 0.173 0.328 0.677
Si 0.673 0.172 0.323
Si 0.332 0.669 0.164
Si 0.832 0.831 0.836
Si 0.577 0.927 0.078
Si 0.918 0.086 0.581
Si 0.077 0.573 0.922
Si 0.418 0.414 0.419 |
Below is a description of a material. | The chemical formula is: Tb2Co3Si5.
The XRD pattern shows main peaks at: 18.6°(0.17), 24.3°(0.55), 25.4°(0.08), 31.7°(0.23), 32.2°(0.23), 36.2°(1.0), 37.0°(0.52), 37.4°(0.55), 45.8°(0.54), 53.3°(0.25), 59.4°(0.19), 60.0°(0.23), 66.2°(0.06), 67.3°(0.09).
Generate atomic structure description with lattice lengths, angles... | JVASP-116492 | 7.90 7.90 7.90
138 105 88
Tb 0.868 0.134 0.734
Tb 0.132 0.866 0.266
Tb 0.400 0.634 0.766
Tb 0.600 0.366 0.234
Co 0.471 0.862 0.609
Co 0.747 0.638 0.109
Co 0.529 0.138 0.391
Co 0.000 0.750 0.750
Co 0.000 0.250 0.250
Co 0.253 0.362 0.891
Si 0.742 0.899 0.843
Si 0.500 0.250 0.750
Si 0.500 0.750 0.250
Si 0.228 0.478 0.250
... |
Below is a description of a material. | The chemical formula is: NaPd2S2.
The XRD pattern shows main peaks at: 15.8°(1.0), 31.0°(0.16), 31.8°(0.14), 32.5°(0.09), 35.0°(0.94), 44.5°(0.36), 45.1°(0.48), 47.5°(0.24), 48.6°(0.06), 55.7°(0.12), 58.8°(0.19), 64.7°(0.12), 67.1°(0.08), 68.0°(0.08), 75.7°(0.17), 82.3°(0.16), 83.6°(0.11).
Generate atomic structure des... | JVASP-181692 | 6.32 6.32 6.32
142 142 54
Na 0.000 0.000 -0.000
Pd 0.750 0.250 0.500
Pd 0.250 0.750 0.500
S 0.376 0.376 0.000
S 0.624 0.624 0.000 |
Below is a description of a material. | The chemical formula is: Li3MnCo2O6.
The XRD pattern shows main peaks at: 18.3°(1.0), 36.0°(0.13), 36.8°(0.27), 38.2°(0.13), 43.2°(0.24), 44.5°(0.52), 47.9°(0.1), 58.4°(0.09), 63.1°(0.14), 64.4°(0.12), 65.5°(0.07), 81.7°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom typ... | JVASP-133186 | 7.65 7.65 5.17
70 70 21
Li 0.330 0.330 0.851
Li 0.000 0.000 0.500
Li 0.670 0.670 0.149
Mn 0.500 0.500 0.000
Co 0.176 0.176 0.643
Co 0.824 0.824 0.357
O 0.420 0.420 0.375
O 0.076 0.076 0.070
O 0.752 0.752 0.753
O 0.248 0.248 0.247
O 0.924 0.924 0.930
O 0.580 0.580 0.625 |
Below is a description of a material. | The chemical formula is: LiFeAs.
The XRD pattern shows main peaks at: 14.6°(1.0), 27.8°(0.96), 36.7°(0.21), 38.0°(0.05), 45.2°(0.87), 48.1°(0.36), 50.6°(0.14), 51.2°(0.16), 56.5°(0.26), 57.1°(0.16), 61.0°(0.07), 70.4°(0.11), 72.9°(0.11), 81.3°(0.11), 87.7°(0.22).
Generate atomic structure description with lattice lengt... | JVASP-97033 | 3.78 3.78 6.07
90 90 90
Li 0.250 0.250 0.835
Li 0.750 0.750 0.165
Fe 0.750 0.250 0.500
Fe 0.250 0.750 0.500
As 0.250 0.250 0.273
As 0.750 0.750 0.727 |
Below is a description of a material. | The chemical formula is: HfAlPd2.
The XRD pattern shows main peaks at: 24.0°(0.31), 39.7°(1.0), 46.9°(0.15), 57.4°(0.17), 72.1°(0.33), 85.6°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-17419 | 4.54 4.54 4.54
60 60 60
Hf 0.500 0.500 0.500
Al 0.000 0.000 0.000
Pd 0.250 0.250 0.250
Pd 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: VMo5W2.
The XRD pattern shows main peaks at: 19.9°(0.11), 34.9°(0.06), 40.5°(1.0), 58.7°(0.17), 73.8°(0.33), 87.7°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-190979 | 6.29 6.29 5.45
125 125 89
V 0.222 0.222 0.444
Mo 0.722 0.222 0.944
Mo 0.222 0.222 0.944
Mo 0.722 0.722 0.944
Mo 0.222 0.722 0.944
Mo 0.722 0.722 0.444
W 0.222 0.722 0.444
W 0.722 0.222 0.444 |
Below is a description of a material. | The chemical formula is: YHfP2.
The XRD pattern shows main peaks at: 14.0°(0.2), 27.3°(0.11), 28.5°(0.6), 33.0°(1.0), 47.1°(0.37), 47.5°(0.38), 56.2°(0.22), 58.4°(0.06), 59.0°(0.19), 69.1°(0.11), 78.5°(0.16), 79.0°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-191887 | 3.83 3.83 6.70
73 73 59
Y 0.500 0.500 0.500
Hf -0.000 -0.000 0.000
P 0.744 0.744 0.768
P 0.256 0.256 0.232 |
Below is a description of a material. | The chemical formula is: BaNpNO.
The XRD pattern shows main peaks at: 19.3°(0.1), 24.9°(0.14), 25.9°(0.19), 28.8°(1.0), 29.7°(0.2), 38.5°(0.07), 39.2°(0.13), 43.2°(0.1), 45.1°(0.14), 51.1°(0.24), 52.8°(0.11), 53.3°(0.08), 54.4°(0.16), 55.5°(0.07), 59.7°(0.1), 70.5°(0.07), 72.8°(0.07), 77.9°(0.06), 79.6°(0.05).
Generate... | JVASP-159656 | 4.19 6.19 6.88
90 90 90
Ba 0.500 0.987 0.200
Ba 0.500 0.487 0.800
Np 0.000 0.488 0.318
Np -0.000 0.988 0.682
N -0.000 0.817 0.408
N 0.000 0.317 0.592
O 0.500 0.463 0.193
O 0.500 0.963 0.807 |
Below is a description of a material. | The chemical formula is: Li2Fe3SbO8.
The XRD pattern shows main peaks at: 17.8°(0.06), 18.9°(1.0), 21.6°(0.07), 35.1°(0.2), 36.3°(0.37), 38.4°(0.13), 43.9°(0.49), 46.4°(0.06), 58.3°(0.1), 62.4°(0.16), 65.4°(0.15), 82.1°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom type... | JVASP-43466 | 5.97 5.97 5.97
57 57 57
Li 0.126 0.126 0.126
Li 0.874 0.874 0.874
Fe -0.000 0.500 0.500
Fe 0.500 0.000 0.500
Fe 0.500 0.500 -0.000
Sb 0.500 0.500 0.500
O 0.266 0.266 0.266
O 0.255 0.255 0.719
O 0.255 0.719 0.255
O 0.719 0.255 0.255
O 0.281 0.745 0.745
O 0.745 0.281 0.745
O 0.745 0.745 0.281
O 0.734 0.734 0.734 |
Below is a description of a material. | The chemical formula is: CaYRh.
The XRD pattern shows main peaks at: 21.5°(0.22), 23.4°(0.46), 32.0°(1.0), 37.6°(0.84), 44.8°(0.49), 47.9°(0.14), 50.2°(0.28), 62.4°(0.38), 64.4°(0.25), 68.0°(0.14), 73.0°(0.1), 80.4°(0.09), 87.3°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and ... | JVASP-180898 | 4.78 4.78 3.80
90 90 120
Ca -0.000 -0.000 -0.000
Y 0.667 0.333 0.500
Rh 0.333 0.667 0.500 |
Below is a description of a material. | The chemical formula is: V5SiB2.
The XRD pattern shows main peaks at: 21.7°(0.05), 33.2°(0.15), 35.2°(0.09), 35.7°(0.76), 40.0°(0.46), 43.1°(1.0), 44.3°(0.24), 46.0°(0.83), 49.8°(0.61), 50.8°(0.06), 55.4°(0.12), 67.3°(0.14), 69.7°(0.1), 71.2°(0.21), 72.2°(0.17), 73.1°(0.08), 74.4°(0.11), 78.6°(0.3).
Generate atomic str... | JVASP-62732 | 6.77 6.77 6.77
129 129 74
V 0.000 0.000 0.000
V 0.500 0.500 0.000
V 0.034 0.534 0.840
V 0.693 0.193 0.160
V 0.193 0.034 0.500
V 0.534 0.693 0.500
V 0.466 0.307 0.500
V 0.807 0.966 0.500
V 0.307 0.807 0.840
V 0.966 0.466 0.160
Si 0.750 0.750 0.000
Si 0.250 0.250 0.000
B 0.386 0.886 0.272
B 0.614 0.114 0.728
B 0.114 0.38... |
Below is a description of a material. | The chemical formula is: Cr2CdO4.
The XRD pattern shows main peaks at: 29.1°(0.59), 34.3°(1.0), 51.7°(0.21), 55.1°(0.34), 60.4°(0.36), 71.4°(0.08), 86.2°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-174099 | 6.13 6.13 6.13
60 60 60
Cr 0.500 0.000 0.500
Cr 0.000 0.500 0.500
Cr 0.500 0.500 -0.000
Cr 0.500 0.500 0.500
Cd 0.125 0.125 0.125
Cd 0.875 0.875 0.875
O 0.731 0.731 0.731
O 0.269 0.269 0.693
O 0.269 0.693 0.269
O 0.693 0.269 0.269
O 0.731 0.307 0.731
O 0.307 0.731 0.731
O 0.269 0.269 0.269
O 0.731 0.731 0.307 |
Below is a description of a material. | The chemical formula is: Ti2PdW.
The XRD pattern shows main peaks at: 14.1°(0.13), 28.1°(0.33), 31.6°(0.05), 40.4°(1.0), 49.9°(0.15), 58.1°(0.17), 58.8°(0.07), 65.8°(0.1), 73.1°(0.31), 73.6°(0.15), 87.3°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-189978 | 3.18 3.18 6.29
90 90 90
Pd 0.500 0.500 0.500
W 0.500 0.500 -0.000
Ti 0.000 -0.000 0.760
Ti -0.000 0.000 0.240 |
Below is a description of a material. | The chemical formula is: Hf3SnH.
The XRD pattern shows main peaks at: 35.1°(1.0), 40.7°(0.48), 59.0°(0.34), 70.5°(0.41), 74.1°(0.11), 88.2°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-188031 | 4.43 4.43 4.43
90 90 90
H 0.000 0.000 0.000
Hf 0.000 0.500 0.000
Hf 0.000 0.000 0.500
Hf 0.500 0.000 0.000
Sn 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: MgBeBr.
The XRD pattern shows main peaks at: 14.8°(0.9), 24.5°(1.0), 25.0°(0.28), 28.7°(0.39), 29.1°(0.86), 29.8°(0.26), 35.3°(0.22), 38.4°(0.82), 38.9°(0.25), 39.2°(0.33), 45.3°(0.16), 46.8°(0.42), 50.2°(0.12), 51.3°(0.11), 52.2°(0.22), 57.6°(0.17), 59.1°(0.23), 65.5°(0.14), 73.2°(0.12), 76.2°... | JVASP-138087 | 6.00 3.56 3.63
90 90 90
Mg -0.228 0.424 0.000
Be 0.062 -0.076 0.000
Br 0.415 -0.076 0.000 |
Below is a description of a material. | The chemical formula is: BaHfTe.
The XRD pattern shows main peaks at: 9.2°(0.13), 27.5°(1.0), 27.9°(0.47), 39.2°(0.42), 39.5°(0.73), 48.8°(0.41), 55.6°(0.05), 56.7°(0.14), 64.1°(0.22), 71.3°(0.26).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-119949 | 3.25 3.25 9.60
90 90 90
Ba 0.000 0.000 0.355
Hf 0.000 0.000 0.710
Te 0.000 0.000 0.004 |
Below is a description of a material. | The chemical formula is: MgAu3.
The XRD pattern shows main peaks at: 17.6°(0.08), 25.6°(0.27), 30.7°(0.11), 35.6°(0.23), 37.5°(0.27), 40.4°(1.0), 49.2°(0.06), 52.6°(0.16), 63.9°(0.18), 69.6°(0.19), 76.5°(0.21), 78.3°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-173358 | 5.83 5.83 4.80
90 90 120
Mg 0.667 0.333 0.250
Mg 0.333 0.667 0.750
Au 0.168 0.337 0.250
Au 0.663 0.832 0.250
Au 0.168 0.832 0.250
Au 0.832 0.168 0.750
Au 0.337 0.168 0.750
Au 0.832 0.663 0.750 |
Below is a description of a material. | The chemical formula is: Ta3C2.
The XRD pattern shows main peaks at: 33.5°(0.33), 35.1°(0.09), 36.2°(1.0), 58.8°(0.43), 71.0°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-143782 | 3.14 3.14 30.24
90 90 120
Ta 0.000 0.000 0.876
Ta 0.667 0.333 0.624
Ta 0.000 0.000 0.288
Ta 0.333 0.667 0.376
Ta 0.667 0.333 0.041
Ta 0.000 0.000 0.712
Ta 0.333 0.667 0.959
Ta 0.000 0.000 0.124
Ta 0.333 0.667 0.795
Ta 0.333 0.667 0.541
Ta 0.667 0.333 0.205
Ta 0.667 0.333 0.459
C 0.667 0.333 0.332
C 0.667 0.333 0.917
C ... |
Below is a description of a material. | The chemical formula is: DySnPt.
The XRD pattern shows main peaks at: 23.7°(0.13), 26.1°(0.11), 32.7°(0.85), 35.5°(1.0), 36.5°(0.34), 41.6°(0.53), 43.1°(0.39), 45.3°(0.3), 48.4°(0.05), 50.5°(0.1), 55.8°(0.1), 59.5°(0.17), 63.2°(0.3), 65.7°(0.09), 66.8°(0.37), 75.6°(0.05), 77.0°(0.12), 83.4°(0.1).
Generate atomic struct... | JVASP-90193 | 4.00 7.52 7.52
120 90 90
Dy 0.500 0.595 -0.000
Dy 0.500 0.405 0.405
Dy 0.500 -0.000 0.595
Sn 0.000 0.260 -0.000
Sn 0.000 0.740 0.740
Sn 0.000 -0.000 0.260
Pt 0.000 0.333 0.667
Pt 0.000 0.667 0.333
Pt 0.500 1.000 0.000 |
Below is a description of a material. | The chemical formula is: LaTe2.
The XRD pattern shows main peaks at: 21.7°(0.08), 27.5°(0.27), 28.9°(0.42), 29.2°(0.95), 33.8°(1.0), 35.1°(0.46), 39.4°(0.68), 48.3°(0.08), 49.6°(0.38), 53.4°(0.15), 53.8°(0.26), 56.9°(0.21), 65.2°(0.25), 67.9°(0.26), 68.3°(0.15), 82.1°(0.08), 84.8°(0.07).
Generate atomic structure descr... | JVASP-148984 | 4.57 4.57 9.26
90 90 90
La 0.000 0.500 0.726
La 0.500 0.000 0.274
Te 0.000 0.500 0.366
Te 0.500 0.000 0.634
Te 0.000 0.000 0.000
Te 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: Te2W2SeS.
The XRD pattern shows main peaks at: 2.5°(1.0), 5.0°(0.28), 7.5°(0.06), 12.5°(0.11), 30.3°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-28817 | 3.40 3.40 35.36
90 89 119
Te 0.333 0.667 0.336
Te 0.333 0.667 0.714
Te 0.333 0.667 0.230
Te 0.333 0.667 0.608
W 0.333 0.667 0.087
W 0.333 0.667 0.472
W 0.667 0.333 0.283
W 0.667 0.333 0.661
Se 0.667 0.333 0.040
Se 0.667 0.333 0.134
S 0.667 0.333 0.429
S 0.667 0.333 0.515 |
Below is a description of a material. | The chemical formula is: NaFeCl3.
The XRD pattern shows main peaks at: 18.3°(0.95), 26.0°(0.33), 32.0°(0.31), 37.1°(1.0), 41.7°(0.39), 45.9°(0.15), 53.5°(0.63), 57.0°(0.16), 60.4°(0.06), 63.7°(0.09), 66.9°(0.2), 70.0°(0.07), 73.1°(0.06), 79.1°(0.09), 82.0°(0.09).
Generate atomic structure description with lattice lengt... | JVASP-180456 | 4.84 4.84 4.84
90 90 90
Na 0.000 0.000 0.000
Fe 0.500 0.500 0.500
Cl 0.000 0.500 0.500
Cl 0.500 0.000 0.500
Cl 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: BaP3.
The XRD pattern shows main peaks at: 14.1°(0.08), 20.4°(0.15), 21.8°(0.18), 23.0°(0.2), 27.2°(1.0), 28.3°(0.19), 30.9°(0.73), 31.3°(0.24), 33.0°(0.07), 38.7°(0.1), 40.1°(0.22), 41.5°(0.09), 43.1°(0.27), 45.6°(0.09), 47.0°(0.13), 52.7°(0.1), 56.0°(0.2), 57.0°(0.11), 57.5°(0.07).
Generate a... | JVASP-2649 | 4.80 7.04 7.04
66 71 71
Ba 0.316 0.827 0.827
Ba 0.684 0.173 0.173
P 0.015 0.593 0.593
P 0.985 0.407 0.407
P 0.711 0.649 0.182
P 0.289 0.818 0.351
P 0.289 0.351 0.818
P 0.711 0.182 0.649 |
Below is a description of a material. | The chemical formula is: MnBeBr.
The XRD pattern shows main peaks at: 16.0°(0.36), 31.2°(0.21), 32.4°(0.08), 35.3°(1.0), 45.6°(0.44), 49.4°(0.09), 55.6°(0.2), 58.3°(0.07), 59.6°(0.08), 65.8°(0.07), 67.6°(0.14), 74.7°(0.09), 76.5°(0.09), 77.6°(0.13).
Generate atomic structure description with lattice lengths, angles, co... | JVASP-71365 | 3.31 3.31 5.53
90 90 119
Mn 0.333 0.667 0.690
Be 0.000 0.000 0.963
Br 0.667 0.333 0.348 |
Below is a description of a material. | The chemical formula is: Sr2YTlNi2O7.
The XRD pattern shows main peaks at: 7.2°(0.06), 14.5°(0.08), 24.8°(0.2), 27.9°(0.21), 29.2°(0.05), 32.4°(1.0), 33.8°(0.59), 34.6°(0.08), 36.7°(0.13), 45.2°(0.17), 48.5°(0.33), 50.7°(0.1), 56.9°(0.06), 59.5°(0.33), 62.3°(0.09), 71.0°(0.1), 80.2°(0.07), 81.0°(0.1), 88.3°(0.05).
Gene... | JVASP-111844 | 3.75 3.75 12.24
90 90 90
Sr 0.500 0.500 0.794
Sr 0.500 0.500 0.206
Y 0.500 0.500 0.500
Tl -0.000 0.000 0.000
Ni -0.000 -0.000 0.643
Ni 0.000 0.000 0.357
O 0.500 -0.000 0.619
O -0.000 0.500 0.619
O 0.500 0.000 0.381
O 0.000 0.500 0.381
O 0.000 0.000 0.817
O 0.000 0.000 0.183
O 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: K2RbYI6.
The XRD pattern shows main peaks at: 13.9°(0.71), 24.2°(0.88), 28.0°(1.0), 31.4°(0.34), 40.1°(0.81), 47.4°(0.39), 49.6°(0.26), 58.0°(0.12), 65.6°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-106459 | 9.00 9.00 9.00
60 60 60
K 0.750 0.750 0.750
K 0.250 0.250 0.250
Rb 0.500 0.500 0.500
Y 0.000 0.000 0.000
I 0.765 0.235 0.235
I 0.235 0.235 0.765
I 0.235 0.765 0.765
I 0.235 0.765 0.235
I 0.765 0.235 0.765
I 0.765 0.765 0.235 |
Below is a description of a material. | The chemical formula is: La5CuBi3.
The XRD pattern shows main peaks at: 22.4°(0.15), 26.5°(0.23), 30.8°(0.94), 31.5°(0.81), 32.3°(1.0), 39.0°(0.1), 40.5°(0.27), 45.7°(0.25), 49.6°(0.25), 54.6°(0.13), 61.0°(0.14), 64.4°(0.23).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types... | JVASP-147267 | 9.82 9.82 6.73
90 90 120
La 0.667 0.333 0.000
La -0.000 0.741 0.250
La 0.259 0.259 0.250
La 0.000 0.259 0.750
La 0.259 0.000 0.750
La 0.741 0.000 0.250
La 0.667 0.333 0.500
La 0.333 0.667 0.500
La 0.333 0.667 0.000
La 0.741 0.741 0.750
Cu 0.000 0.000 0.000
Cu 0.000 0.000 0.500
Bi 0.383 -0.000 0.250
Bi 0.383 0.383 0.750... |
Below is a description of a material. | The chemical formula is: HoNbRu2.
The XRD pattern shows main peaks at: 39.0°(1.0), 56.4°(0.15), 70.7°(0.32), 83.8°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-40002 | 4.62 4.62 4.62
60 60 60
Ho 0.250 0.250 0.250
Nb 0.750 0.750 0.750
Ru 0.000 0.000 0.000
Ru 0.500 0.500 0.500 |
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