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: Re3Mo.
The XRD pattern shows main peaks at: 25.2°(0.05), 39.6°(1.0), 46.0°(0.49), 67.1°(0.32), 80.8°(0.39), 85.2°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-39470 | 4.83 4.83 4.83
131 131 70
Re 0.750 0.250 0.500
Re 0.250 0.750 0.500
Re 0.500 0.500 0.000
Mo 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: MnRePt.
The XRD pattern shows main peaks at: 26.4°(0.69), 43.7°(1.0), 51.8°(0.36), 63.6°(0.15), 70.0°(0.14), 80.3°(0.34), 86.3°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-51147 | 4.14 4.14 4.14
60 60 60
Mn 0.500 0.500 0.500
Re 0.000 0.000 0.000
Pt 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: Mg2Sn.
The XRD pattern shows main peaks at: 22.7°(1.0), 26.3°(0.18), 37.6°(0.85), 44.4°(0.53), 54.2°(0.15), 67.8°(0.33), 80.2°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-1082 | 4.79 4.79 4.79
60 60 60
Mg 0.250 0.250 0.250
Mg 0.750 0.750 0.750
Sn 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: BaAuO2.
The XRD pattern shows main peaks at: 29.6°(1.0), 33.6°(0.25), 34.7°(0.49), 49.1°(0.35), 49.9°(0.16), 57.7°(0.18), 59.1°(0.29), 61.5°(0.18), 73.2°(0.05), 79.7°(0.14), 81.2°(0.08), 83.0°(0.08), 83.6°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates an... | JVASP-114446 | 3.66 3.66 5.33
90 90 90
Ba 0.500 0.500 0.525
Au 0.000 0.000 0.026
O 0.000 0.000 0.441
O 0.500 0.500 0.017 |
Below is a description of a material. | The chemical formula is: Ti3N2O3.
The XRD pattern shows main peaks at: 18.1°(0.61), 24.9°(1.0), 25.6°(0.08), 26.5°(0.09), 30.9°(0.09), 32.7°(0.57), 36.1°(0.24), 37.1°(0.24), 41.1°(0.23), 46.2°(0.27), 47.4°(0.34), 49.7°(0.1), 52.1°(0.16), 55.9°(0.1), 57.2°(0.05), 58.8°(0.17), 60.0°(0.17), 64.4°(0.11), 68.3°(0.14), 74.7°... | JVASP-50020 | 3.84 5.26 9.89
90 90 111
Ti 0.199 0.399 0.250
Ti 0.143 0.287 0.947
Ti 0.143 0.287 0.553
Ti 0.801 0.601 0.750
Ti 0.857 0.713 0.053
Ti 0.857 0.713 0.447
N 0.308 0.615 0.423
N 0.308 0.615 0.077
N 0.692 0.385 0.577
N 0.692 0.385 0.923
O 0.249 0.498 0.750
O 0.045 0.090 0.118
O 0.045 0.090 0.382
O 0.955 0.910 0.882
O 0.751 0... |
Below is a description of a material. | The chemical formula is: BaSr4Cl10.
The XRD pattern shows main peaks at: 21.8°(1.0), 36.0°(0.68), 42.5°(0.32), 56.9°(0.12), 64.8°(0.16), 76.4°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-170742 | 4.99 4.99 20.52
83 90 119
Ba 0.000 0.000 -0.000
Sr 0.598 0.195 0.207
Sr 0.199 0.398 0.402
Sr 0.801 0.602 0.598
Sr 0.402 0.805 0.793
Cl 0.053 0.106 0.841
Cl 0.850 0.700 0.450
Cl 0.451 0.903 0.646
Cl 0.647 0.295 0.058
Cl 0.248 0.497 0.255
Cl 0.353 0.705 0.942
Cl 0.150 0.300 0.550
Cl 0.752 0.503 0.745
Cl 0.947 0.894 0.159... |
Below is a description of a material. | The chemical formula is: La2CdAu.
The XRD pattern shows main peaks at: 33.0°(1.0), 47.4°(0.17), 58.9°(0.36), 69.2°(0.11), 78.8°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-157174 | 5.43 5.43 5.43
60 60 60
La 0.000 0.000 0.000
La 0.500 0.500 0.500
Cd 0.750 0.750 0.750
Au 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: SbPdS.
The XRD pattern shows main peaks at: 20.0°(0.27), 24.5°(0.24), 28.4°(0.63), 31.9°(1.0), 35.0°(0.62), 40.6°(0.38), 48.0°(0.98), 50.3°(0.23), 52.5°(0.24), 54.7°(0.34), 62.8°(0.09), 64.7°(0.08), 66.6°(0.13), 68.4°(0.17), 73.9°(0.11), 77.5°(0.11), 79.2°(0.31), 82.7°(0.2), 84.5°(0.09), 87.9°(... | JVASP-151784 | 6.28 6.28 6.28
90 90 90
Sb 0.379 0.379 0.379
Sb 0.121 0.621 0.879
Sb 0.621 0.879 0.121
Sb 0.879 0.121 0.621
Pd 0.010 0.010 0.010
Pd 0.490 0.990 0.510
Pd 0.990 0.510 0.490
Pd 0.510 0.490 0.990
S 0.612 0.612 0.612
S 0.888 0.388 0.112
S 0.388 0.112 0.888
S 0.112 0.888 0.388 |
Below is a description of a material. | The chemical formula is: NdAl2Ag2.
The XRD pattern shows main peaks at: 16.8°(0.06), 21.6°(0.21), 32.4°(0.23), 33.1°(1.0), 34.0°(0.17), 40.4°(0.34), 44.8°(0.05), 46.3°(0.06), 47.7°(0.09), 52.8°(0.11), 53.8°(0.16), 58.5°(0.12), 60.3°(0.16), 64.3°(0.07), 68.9°(0.23), 69.4°(0.07), 85.6°(0.08), 89.0°(0.11).
Generate atomic... | JVASP-155543 | 4.46 4.46 6.14
111 111 90
Nd 0.000 0.000 0.000
Al 0.621 0.621 0.241
Al 0.379 0.379 0.759
Ag 0.750 0.250 0.500
Ag 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: Er4Cu5P7.
The XRD pattern shows main peaks at: 9.2°(0.07), 18.5°(0.08), 25.7°(0.72), 30.4°(0.11), 34.1°(0.06), 37.0°(0.34), 37.4°(0.21), 39.1°(1.0), 49.0°(0.28), 53.7°(0.11), 63.3°(0.12), 68.6°(0.05), 71.9°(0.09), 85.0°(0.2).
Generate atomic structure description with lattice lengths, angles, c... | JVASP-176530 | 5.25 5.25 10.31
75 75 90
Er 0.107 0.357 0.768
Er 0.625 0.875 0.768
Er 0.393 0.125 0.232
Er 0.875 0.643 0.232
Cu 0.501 0.751 0.498
Cu 0.999 0.249 0.502
Cu 0.000 0.750 0.500
Cu 0.500 0.250 0.500
Cu 0.250 0.500 -0.000
P 0.325 0.575 0.339
P 0.836 0.086 0.339
P 0.175 0.914 0.661
P 0.664 0.425 0.661
P 0.750 -0.000 -0.000
P 0... |
Below is a description of a material. | The chemical formula is: BaNaIn4.
The XRD pattern shows main peaks at: 17.1°(0.3), 19.7°(0.08), 28.1°(0.15), 33.0°(1.0), 34.6°(0.53), 40.1°(0.12), 43.9°(0.08), 49.7°(0.06), 52.9°(0.37), 58.0°(0.32), 61.0°(0.05), 68.4°(0.12), 69.3°(0.22), 82.4°(0.22), 86.6°(0.05).
Generate atomic structure description with lattice lengt... | JVASP-178639 | 6.36 6.36 6.36
60 60 60
Ba 0.750 0.750 0.750
Na -0.000 -0.000 0.000
In 0.375 0.375 0.876
In 0.375 0.876 0.375
In 0.876 0.375 0.375
In 0.375 0.375 0.375 |
Below is a description of a material. | The chemical formula is: FeNiSb4.
The XRD pattern shows main peaks at: 29.4°(0.18), 30.4°(0.4), 31.8°(0.81), 33.5°(1.0), 34.6°(0.16), 42.4°(0.06), 43.7°(0.47), 44.9°(0.1), 49.9°(0.38), 50.3°(0.28), 52.6°(0.07), 53.3°(0.19), 55.5°(0.07), 57.5°(0.07), 63.4°(0.26), 66.4°(0.07), 76.3°(0.08), 78.9°(0.07), 81.1°(0.09), 83.7°... | JVASP-169062 | 3.44 5.66 6.48
89 90 90
Fe 0.500 0.500 0.500
Ni -0.000 0.000 -0.000
Sb 0.500 0.697 0.146
Sb 0.500 0.303 0.854
Sb 0.000 0.202 0.360
Sb -0.000 0.798 0.640 |
Below is a description of a material. | The chemical formula is: LiBiB.
The XRD pattern shows main peaks at: 18.0°(1.0), 19.8°(0.96), 26.6°(0.46), 27.1°(0.45), 28.9°(0.44), 34.3°(0.46), 35.3°(0.49), 36.5°(0.24), 39.7°(0.34), 40.1°(0.51), 41.5°(0.15), 42.2°(0.15), 47.3°(0.22), 50.2°(0.2), 51.4°(0.17), 52.0°(0.16), 53.5°(0.13), 54.1°(0.13), 63.2°(0.18), 64.2°(... | JVASP-115465 | 4.92 6.60 3.09
90 90 42
Li -0.063 0.423 0.000
Bi -0.063 -0.077 0.000
B 0.437 -0.077 0.000 |
Below is a description of a material. | The chemical formula is: LaAl10Cu2.
The XRD pattern shows main peaks at: 14.3°(0.67), 19.6°(0.42), 25.6°(0.25), 26.7°(0.4), 28.3°(0.31), 28.7°(0.14), 29.4°(0.36), 33.8°(0.46), 36.9°(0.11), 37.4°(0.51), 38.9°(0.74), 39.8°(1.0), 40.8°(0.39), 43.7°(0.1), 47.5°(0.25), 51.4°(0.11), 52.9°(0.14), 55.1°(0.22), 71.0°(0.12), 72.... | JVASP-147211 | 9.33 7.43 6.73
82 52 45
La 0.000 0.000 0.000
Al 0.010 0.353 0.647
Al 0.990 0.647 0.353
Al 0.353 0.010 0.990
Al 0.647 0.990 0.010
Al 0.488 0.269 0.731
Al 0.512 0.731 0.269
Al 0.269 0.488 0.512
Al 0.731 0.512 0.488
Al 0.500 0.500 -0.000
Al 0.000 -0.000 0.500
Cu 0.000 0.500 -0.000
Cu 0.500 0.000 0.500 |
Below is a description of a material. | The chemical formula is: ZrAl5Ni.
The XRD pattern shows main peaks at: 21.5°(0.62), 26.6°(0.11), 30.6°(0.09), 33.5°(0.2), 34.5°(0.37), 40.4°(0.07), 41.0°(1.0), 43.9°(0.47), 49.4°(0.13), 52.0°(0.06), 54.8°(0.06), 57.0°(0.16), 59.5°(0.07), 61.1°(0.08), 63.8°(0.15), 72.7°(0.1), 76.8°(0.06), 78.7°(0.28), 88.9°(0.06).
Gener... | JVASP-193394 | 4.13 4.13 6.70
90 90 90
Ni 0.000 -0.000 0.500
Al -0.000 0.500 0.303
Al 0.000 0.500 0.697
Al 0.500 0.000 0.303
Al 0.500 -0.000 0.697
Al 0.500 0.500 -0.000
Zr 0.000 -0.000 -0.000 |
Below is a description of a material. | The chemical formula is: BaIn2Sn.
The XRD pattern shows main peaks at: 11.6°(0.06), 24.7°(0.09), 30.9°(0.69), 32.1°(1.0), 41.8°(0.09), 44.3°(0.25), 47.6°(0.11), 55.7°(0.4), 57.9°(0.13), 64.4°(0.08), 67.1°(0.06), 73.2°(0.11), 73.8°(0.09), 83.9°(0.06).
Generate atomic structure description with lattice lengths, angles, c... | JVASP-179580 | 4.09 4.09 7.63
90 90 90
Ba 0.500 0.500 0.749
In 0.000 -0.000 0.052
In 0.500 0.500 0.253
Sn 0.000 -0.000 0.446 |
Below is a description of a material. | The chemical formula is: Ba3OsN3.
The XRD pattern shows main peaks at: 12.5°(0.23), 20.1°(0.1), 25.1°(0.25), 26.9°(0.45), 29.7°(1.0), 31.7°(0.42), 33.4°(0.27), 37.1°(0.14), 38.1°(0.15), 40.9°(0.13), 46.1°(0.09), 46.7°(0.19), 50.3°(0.13), 55.3°(0.2), 57.1°(0.1), 59.1°(0.18), 68.1°(0.12).
Generate atomic structure descri... | JVASP-164915 | 8.19 5.64 8.19
90 119 90
Ba 0.639 0.750 0.400
Ba 0.100 0.750 0.238
Ba 0.262 0.750 0.861
Ba 0.361 0.250 0.600
Ba 0.900 0.250 0.762
Ba 0.738 0.250 0.139
Os 0.333 0.250 0.167
Os 0.667 0.750 0.833
N 0.569 0.250 0.384
N 0.116 0.250 0.186
N 0.315 0.250 0.931
N 0.431 0.750 0.616
N 0.884 0.750 0.814
N 0.685 0.750 0.069 |
Below is a description of a material. | The chemical formula is: Nd2MgAl.
The XRD pattern shows main peaks at: 23.5°(0.61), 33.5°(1.0), 41.3°(0.19), 48.1°(0.17), 54.2°(0.24), 59.8°(0.37), 70.3°(0.11), 75.3°(0.12), 80.2°(0.16), 85.0°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-41008 | 5.35 5.35 5.35
60 60 60
Nd 0.500 0.500 0.500
Nd 0.000 0.000 0.000
Mg 0.750 0.750 0.750
Al 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: Tm2O3.
The XRD pattern shows main peaks at: 28.7°(0.25), 31.1°(0.27), 32.7°(1.0), 42.8°(0.23), 50.8°(0.26), 56.3°(0.27), 60.7°(0.26), 61.7°(0.17), 68.5°(0.06), 79.2°(0.1), 83.9°(0.14), 86.6°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-7770 | 3.60 3.60 5.76
90 90 120
Tm 0.667 0.333 0.751
Tm 0.333 0.667 0.249
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: Na2CuBiCl6.
The XRD pattern shows main peaks at: 14.9°(0.26), 17.2°(1.0), 24.4°(0.59), 28.7°(0.08), 34.8°(0.55), 39.1°(0.46), 43.0°(0.09), 50.0°(0.34), 62.4°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-100891 | 7.29 7.29 7.29
60 60 60
Na 0.750 0.750 0.750
Na 0.250 0.250 0.250
Cu 0.500 0.500 0.500
Bi 0.000 0.000 0.000
Cl 0.738 0.262 0.262
Cl 0.262 0.262 0.738
Cl 0.262 0.738 0.738
Cl 0.262 0.738 0.262
Cl 0.738 0.262 0.738
Cl 0.738 0.738 0.262 |
Below is a description of a material. | The chemical formula is: Ti2TcSi.
The XRD pattern shows main peaks at: 25.1°(0.17), 29.0°(0.14), 41.5°(1.0), 49.1°(0.08), 60.2°(0.16), 75.8°(0.31).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-185341 | 4.35 4.35 4.35
60 60 60
Ti -0.000 0.000 0.000
Ti 0.250 0.250 0.250
Tc 0.500 0.500 0.500
Si 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: BaTl2Bi2.
The XRD pattern shows main peaks at: 11.5°(0.09), 18.8°(0.22), 25.0°(0.21), 28.0°(1.0), 34.4°(0.4), 34.7°(0.5), 36.3°(0.54), 41.2°(0.07), 44.6°(0.09), 47.4°(0.06), 50.8°(0.25), 51.4°(0.15), 52.3°(0.19), 60.3°(0.21), 61.1°(0.12), 64.3°(0.18), 75.9°(0.09), 77.1°(0.06), 87.2°(0.08), 88.3... | JVASP-158247 | 8.44 8.44 8.44
145 145 49
Ba 0.000 0.000 0.000
Tl 0.750 0.250 0.500
Tl 0.250 0.750 0.500
Bi 0.399 0.399 -0.000
Bi 0.601 0.601 0.000 |
Below is a description of a material. | The chemical formula is: SmCr2B6.
The XRD pattern shows main peaks at: 17.2°(0.47), 21.4°(0.27), 27.2°(0.79), 30.8°(0.79), 34.9°(0.29), 35.2°(1.0), 38.8°(0.97), 41.5°(0.93), 42.8°(0.1), 53.4°(0.32), 55.1°(0.49), 56.1°(0.4), 59.7°(0.15), 65.4°(0.22), 66.8°(0.12), 69.4°(0.19), 70.5°(0.16), 71.2°(0.26), 81.1°(0.09), 84.2°... | JVASP-90246 | 3.10 5.51 5.51
73 73 73
Sm -0.000 0.500 0.500
Cr 0.845 0.155 0.155
Cr 0.155 0.845 0.845
B 0.500 0.139 0.861
B 0.500 0.861 0.139
B 0.697 0.039 0.567
B 0.303 0.433 0.961
B 0.697 0.567 0.039
B 0.303 0.961 0.433 |
Below is a description of a material. | The chemical formula is: Ni2Sn4Au.
The XRD pattern shows main peaks at: 9.8°(0.1), 24.2°(0.22), 29.2°(1.0), 35.9°(0.12), 41.3°(0.87), 42.1°(0.96), 44.2°(0.14), 52.0°(0.22), 60.4°(0.26), 69.1°(0.21), 76.4°(0.29), 77.0°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-86779 | 9.35 9.35 9.35
26 26 26
Ni 0.600 0.600 0.600
Ni 0.400 0.400 0.400
Sn 0.700 0.700 0.700
Sn 0.889 0.889 0.889
Sn 0.300 0.300 0.300
Sn 0.111 0.111 0.111
Au 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: LaAl2Ga2.
The XRD pattern shows main peaks at: 15.8°(0.29), 29.5°(0.69), 31.8°(1.0), 33.6°(0.75), 42.2°(0.55), 45.7°(0.51), 53.8°(0.46), 61.2°(0.16), 63.9°(0.4), 66.7°(0.06), 82.2°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-164469 | 4.28 4.28 6.37
109 109 90
La -0.000 0.000 -0.000
Al 0.250 0.750 0.500
Al 0.750 0.250 0.500
Ga 0.614 0.614 0.228
Ga 0.386 0.386 0.772 |
Below is a description of a material. | The chemical formula is: SiIr3.
The XRD pattern shows main peaks at: 22.1°(0.13), 23.7°(0.09), 32.6°(0.42), 39.6°(0.66), 40.7°(1.0), 45.0°(0.31), 48.6°(0.2), 51.4°(0.32), 54.7°(0.18), 68.3°(0.15), 80.1°(0.15), 80.4°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-20471 | 5.30 5.30 5.51
118 118 90
Si 0.250 0.750 0.500
Si 0.750 0.250 0.500
Ir 0.250 0.250 0.500
Ir 0.750 0.750 0.500
Ir 0.184 0.684 -0.000
Ir 0.316 0.184 -0.000
Ir 0.684 0.816 0.000
Ir 0.816 0.316 0.000 |
Below is a description of a material. | The chemical formula is: Al6Fe.
The XRD pattern shows main peaks at: 18.1°(0.51), 20.1°(0.22), 20.8°(0.14), 23.9°(0.16), 27.2°(0.34), 31.4°(0.12), 34.3°(0.13), 35.6°(0.23), 40.2°(0.6), 40.8°(0.28), 41.4°(0.39), 42.2°(0.89), 43.6°(0.52), 44.1°(1.0), 45.0°(0.67), 48.4°(0.17), 63.5°(0.15), 72.3°(0.15), 77.9°(0.13), 78.9°(... | JVASP-86274 | 4.94 4.94 8.84
90 90 97
Al 0.677 0.323 0.500
Al 0.145 0.145 0.100
Al 0.677 0.323 -0.000
Al 0.855 0.855 0.900
Al 0.030 0.394 0.750
Al 0.323 0.677 -0.000
Al 0.145 0.145 0.400
Al 0.970 0.606 0.250
Al 0.606 0.970 0.250
Al 0.394 0.030 0.750
Al 0.855 0.855 0.600
Al 0.323 0.677 0.500
Fe 0.459 0.459 0.250
Fe 0.541 0.541 0.750 |
Below is a description of a material. | The chemical formula is: ZnO2.
The XRD pattern shows main peaks at: 22.8°(0.71), 33.1°(0.43), 40.6°(1.0), 58.4°(0.37), 59.2°(0.26), 64.3°(0.21), 69.5°(0.05), 74.3°(0.1), 82.3°(0.09), 87.9°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-78856 | 3.12 3.12 3.90
90 90 120
Zn 0.000 0.000 0.000
O 0.334 0.667 0.243
O 0.666 0.333 0.757 |
Below is a description of a material. | The chemical formula is: K2SnSe3.
The XRD pattern shows main peaks at: 10.7°(0.25), 12.8°(0.79), 14.2°(0.3), 15.6°(0.43), 16.3°(0.69), 18.1°(0.26), 19.2°(0.28), 22.5°(0.48), 26.5°(0.87), 27.0°(1.0), 28.2°(0.28), 28.6°(0.27), 29.8°(0.31), 30.7°(0.44), 31.8°(0.4), 32.4°(0.29), 37.8°(0.73), 42.6°(0.51), 43.7°(0.51), 48.5°... | JVASP-10546 | 6.83 7.55 8.68
75 75 67
K 0.384 0.790 0.898
K 0.616 0.210 0.102
K 0.133 0.476 0.686
K 0.867 0.524 0.314
Sn 0.843 0.065 0.690
Sn 0.157 0.935 0.310
Se 0.643 0.415 0.710
Se 0.767 0.946 0.454
Se 0.859 0.803 0.934
Se 0.357 0.585 0.290
Se 0.141 0.197 0.066
Se 0.233 0.054 0.546 |
Below is a description of a material. | The chemical formula is: Pm2IrRh.
The XRD pattern shows main peaks at: 36.2°(1.0), 52.1°(0.18), 65.1°(0.36), 76.8°(0.11), 88.0°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-40956 | 4.96 4.96 4.96
60 60 60
Pm 0.000 0.000 0.000
Pm 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: CaZnC2O6.
The XRD pattern shows main peaks at: 16.7°(0.1), 21.8°(0.08), 23.9°(0.28), 30.9°(1.0), 37.0°(0.21), 40.8°(0.14), 44.5°(0.19), 49.0°(0.09), 50.9°(0.3), 59.2°(0.13), 62.9°(0.06), 66.7°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-170926 | 4.86 4.86 6.01
66 66 60
Ca -0.000 0.000 0.000
Zn 0.500 0.500 0.500
C 0.243 0.243 0.272
C 0.757 0.757 0.728
O 0.966 0.270 0.267
O 0.270 0.497 0.267
O 0.497 0.966 0.267
O 0.034 0.730 0.733
O 0.730 0.503 0.733
O 0.503 0.034 0.733 |
Below is a description of a material. | The chemical formula is: Sr2ZnPb.
The XRD pattern shows main peaks at: 19.2°(0.19), 22.2°(0.06), 31.6°(1.0), 37.3°(0.1), 45.4°(0.18), 56.4°(0.37), 66.1°(0.13), 75.1°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-178036 | 5.66 5.66 5.66
60 60 60
Sr -0.000 -0.000 -0.000
Sr 0.500 0.500 0.500
Zn 0.750 0.750 0.750
Pb 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: LuNi4Au.
The XRD pattern shows main peaks at: 22.3°(0.22), 36.8°(0.74), 43.5°(1.0), 45.5°(0.13), 58.2°(0.05), 66.3°(0.27), 70.9°(0.32), 78.3°(0.22).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-61306 | 4.88 4.88 4.88
60 60 60
Lu 0.000 0.000 0.000
Ni 0.126 0.625 0.625
Ni 0.625 0.625 0.625
Ni 0.625 0.126 0.625
Ni 0.625 0.625 0.126
Au 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: Zn4CdS5.
The XRD pattern shows main peaks at: 2.7°(0.16), 26.4°(0.74), 28.7°(0.05), 29.9°(1.0), 46.7°(0.61), 54.4°(0.09), 56.4°(0.15), 76.2°(0.12), 86.7°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-142343 | 3.89 3.89 32.27
90 90 120
Zn 0.333 0.667 0.506
Zn 0.333 0.667 0.700
Zn 0.333 0.667 0.894
Zn 0.667 0.333 0.991
Zn 0.667 0.333 0.200
Zn 0.667 0.333 0.409
Zn 0.667 0.333 0.603
Zn 0.667 0.333 0.797
Cd 0.333 0.667 0.303
Cd 0.333 0.667 0.093
S 0.667 0.333 0.724
S 0.333 0.667 0.014
S 0.333 0.667 0.224
S 0.333 0.667 0.433
S 0.... |
Below is a description of a material. | The chemical formula is: LaGaO3.
The XRD pattern shows main peaks at: 22.8°(0.07), 32.4°(1.0), 40.0°(0.13), 46.5°(0.33), 57.9°(0.37), 67.9°(0.2), 77.3°(0.18), 86.3°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-93262 | 3.90 3.90 3.90
90 90 90
La 0.500 0.000 0.000
Ga 0.000 0.500 0.500
O 0.500 0.500 0.500
O 0.000 0.500 -0.000
O 0.000 -0.000 0.500 |
Below is a description of a material. | The chemical formula is: Mg3TiO4.
The XRD pattern shows main peaks at: 20.7°(0.1), 29.4°(0.07), 36.3°(0.18), 42.1°(1.0), 61.1°(0.54), 73.1°(0.1), 77.0°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-91718 | 4.29 4.29 4.29
90 90 90
Mg 0.000 0.500 0.500
Mg 0.500 0.000 0.500
Mg 0.500 0.500 0.000
Ti 0.000 0.000 0.000
O 0.500 0.000 0.000
O 0.500 0.500 0.500
O 0.000 0.000 0.500
O 0.000 0.500 0.000 |
Below is a description of a material. | The chemical formula is: TbCl3.
The XRD pattern shows main peaks at: 16.5°(1.0), 21.4°(0.92), 24.9°(0.45), 26.0°(0.6), 32.0°(0.24), 33.3°(0.17), 35.3°(0.43), 38.3°(0.69), 39.2°(0.23), 41.8°(0.53), 42.9°(0.23), 43.7°(0.21), 45.1°(0.21), 48.4°(0.16), 49.4°(0.11), 50.4°(0.14), 58.5°(0.16), 65.4°(0.13), 67.8°(0.11), 69.2°(... | JVASP-124303 | 7.25 4.43 5.44
82 98 144
Tb 0.750 0.000 0.375
Cl 0.108 0.000 0.545
Cl 0.750 0.000 0.875
Cl 0.392 1.000 0.205 |
Below is a description of a material. | The chemical formula is: ZrP.
The XRD pattern shows main peaks at: 29.2°(0.5), 33.8°(1.0), 48.6°(0.7), 57.7°(0.22), 60.5°(0.24), 71.2°(0.1), 81.2°(0.27).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-189593 | 3.75 3.75 3.75
60 60 60
P -0.000 0.000 0.000
Zr 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: BI.
The XRD pattern shows main peaks at: 27.0°(1.0), 30.7°(0.23), 31.6°(0.46), 44.7°(0.29), 45.3°(0.16), 52.4°(0.17), 53.6°(0.28), 55.7°(0.15), 66.0°(0.05), 71.7°(0.12), 72.7°(0.06), 74.6°(0.06), 75.0°(0.07), 83.2°(0.1).
Generate atomic structure description with lattice lengths, angles, coordi... | JVASP-115481 | 4.00 4.00 5.82
90 90 90
B 0.000 0.000 0.183
B 0.500 0.500 0.817
I 0.000 0.000 0.765
I 0.500 0.500 0.235 |
Below is a description of a material. | The chemical formula is: TiZnNi2.
The XRD pattern shows main peaks at: 42.3°(0.6), 43.9°(1.0), 61.4°(0.17), 66.4°(0.06), 78.5°(0.34), 81.9°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-99912 | 3.02 3.02 5.64
90 90 90
Ti 0.500 0.500 0.000
Zn 0.500 0.500 0.500
Ni 0.000 0.000 0.753
Ni 0.000 0.000 0.247 |
Below is a description of a material. | The chemical formula is: KRb2MoF6.
The XRD pattern shows main peaks at: 16.9°(0.17), 27.8°(1.0), 34.2°(0.12), 39.7°(0.45), 49.1°(0.41), 57.4°(0.25), 64.9°(0.2), 72.0°(0.09), 78.8°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-26494 | 6.43 6.43 6.43
60 60 60
K 0.500 0.500 0.500
Rb 0.250 0.250 0.250
Rb 0.750 0.750 0.750
Mo 0.000 0.000 0.000
F 0.227 0.773 0.773
F 0.227 0.773 0.227
F 0.773 0.227 0.773
F 0.227 0.227 0.773
F 0.773 0.227 0.227
F 0.773 0.773 0.227 |
Below is a description of a material. | The chemical formula is: TmBiPt.
The XRD pattern shows main peaks at: 23.0°(0.31), 26.7°(0.13), 38.1°(1.0), 44.9°(0.15), 54.9°(0.2), 68.8°(0.37), 81.4°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-107500 | 4.73 4.73 4.73
60 60 60
Tm 0.500 0.500 0.500
Bi 0.000 0.000 0.000
Pt 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: YbInNi4.
The XRD pattern shows main peaks at: 22.1°(0.11), 36.5°(0.58), 43.1°(1.0), 45.1°(0.17), 65.8°(0.2), 70.3°(0.31), 77.6°(0.21).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-100279 | 4.92 4.92 4.92
60 60 60
Yb 0.250 0.250 0.250
In 0.000 0.000 0.000
Ni 0.625 0.625 0.625
Ni 0.625 0.625 0.124
Ni 0.625 0.124 0.625
Ni 0.124 0.625 0.625 |
Below is a description of a material. | The chemical formula is: MoPd.
The XRD pattern shows main peaks at: 37.4°(0.24), 39.4°(0.29), 42.4°(1.0), 55.4°(0.16), 67.4°(0.17), 73.5°(0.2), 80.9°(0.19), 83.0°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-103449 | 2.78 2.78 4.58
90 90 119
Mo 0.667 0.333 0.500
Pd 0.333 0.667 0.000 |
Below is a description of a material. | The chemical formula is: ScSi2Pt.
The XRD pattern shows main peaks at: 18.3°(0.63), 26.3°(0.47), 28.4°(0.67), 35.7°(1.0), 37.1°(0.14), 40.4°(0.1), 45.1°(0.49), 49.1°(0.29), 51.2°(0.17), 54.2°(0.12), 57.1°(0.19), 58.8°(0.18), 59.8°(0.2), 77.1°(0.19), 83.3°(0.07).
Generate atomic structure description with lattice length... | JVASP-184865 | 4.02 4.01 5.38
111 90 119
Sc 0.000 -0.000 0.000
Si 0.226 0.453 0.680
Si 0.774 0.547 0.320
Pt 0.500 0.000 0.500 |
Below is a description of a material. | The chemical formula is: TaNbCrOs.
The XRD pattern shows main peaks at: 24.5°(0.22), 40.5°(1.0), 58.6°(0.16), 73.7°(0.34), 87.7°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-191206 | 4.45 4.45 4.45
60 60 60
Cr 0.250 0.250 0.250
Nb 0.500 0.500 0.500
Os 0.750 0.750 0.750
Ta -0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: LiZnCu.
The XRD pattern shows main peaks at: 24.5°(0.73), 35.3°(0.06), 43.1°(0.81), 43.4°(1.0), 50.2°(0.1), 56.8°(0.08), 62.8°(0.31), 68.2°(0.07), 79.2°(0.31), 79.8°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-191646 | 4.20 4.20 2.55
90 90 120
Zn 0.333 0.667 0.661
Cu -0.000 0.000 0.023
Li 0.667 0.333 0.315 |
Below is a description of a material. | The chemical formula is: Ba4BiCl.
The XRD pattern shows main peaks at: 15.3°(0.21), 17.7°(0.12), 25.1°(0.24), 29.5°(1.0), 30.9°(0.5), 35.8°(0.06), 39.2°(0.05), 40.2°(0.08), 44.3°(0.1), 47.1°(0.41), 51.6°(0.32), 54.1°(0.05), 60.6°(0.14), 61.3°(0.2), 70.3°(0.05), 72.4°(0.27), 75.9°(0.05), 83.5°(0.08).
Generate atomic str... | JVASP-64733 | 7.09 7.09 7.09
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
Bi 0.250 0.250 0.250
Cl 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: TaW.
The XRD pattern shows main peaks at: 39.3°(1.0), 56.9°(0.18), 71.3°(0.37), 84.6°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-191690 | 4.58 4.58 4.58
59 59 59
W 0.125 0.125 0.125
W 0.875 0.875 0.875
Ta 0.375 0.375 0.375
Ta 0.625 0.625 0.625 |
Below is a description of a material. | The chemical formula is: Ca3Al2Si2.
The XRD pattern shows main peaks at: 26.2°(0.09), 29.1°(0.11), 31.1°(1.0), 35.5°(0.21), 39.9°(0.28), 40.8°(0.32), 41.9°(0.19), 44.5°(0.2), 55.4°(0.18), 58.4°(0.21), 61.3°(0.15), 67.1°(0.12), 73.5°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates ... | JVASP-149500 | 9.71 9.71 9.71
155 153 36
Ca 0.813 0.813 0.000
Ca 0.187 0.187 -0.000
Ca 0.000 0.500 0.500
Al 0.569 0.069 0.500
Al 0.431 0.931 0.500
Si 0.645 0.645 0.000
Si 0.355 0.355 -0.000 |
Below is a description of a material. | The chemical formula is: NaSnAu.
The XRD pattern shows main peaks at: 16.0°(0.55), 21.5°(0.16), 22.0°(1.0), 23.7°(0.72), 24.6°(0.38), 31.4°(0.42), 32.6°(0.82), 37.6°(0.55), 38.0°(0.86), 38.8°(0.58), 39.9°(0.37), 42.3°(0.24), 43.9°(0.17), 45.3°(0.5), 46.0°(0.28), 46.8°(0.53), 50.5°(0.15), 55.1°(0.35), 61.6°(0.15), 69.7°... | JVASP-152044 | 4.65 7.49 8.25
90 90 90
Na 0.000 0.485 0.322
Na 0.500 0.515 0.678
Na 0.000 0.985 0.178
Na 0.500 0.015 0.822
Sn 0.000 0.332 0.932
Sn 0.500 0.668 0.068
Sn 0.000 0.832 0.568
Sn 0.500 0.168 0.432
Au 0.000 0.210 0.617
Au 0.500 0.790 0.383
Au 0.000 0.710 0.883
Au 0.500 0.290 0.117 |
Below is a description of a material. | The chemical formula is: HfMg6Si.
The XRD pattern shows main peaks at: 14.6°(0.95), 18.2°(0.25), 20.0°(0.2), 23.0°(0.18), 24.9°(0.42), 27.2°(0.14), 29.4°(0.17), 30.6°(0.13), 35.9°(1.0), 36.8°(0.16), 40.7°(0.2), 43.4°(0.12), 46.9°(0.1), 48.0°(0.09), 48.6°(0.11), 49.5°(0.1), 55.4°(0.11), 56.0°(0.09), 70.9°(0.12), 74.4°(0... | JVASP-93063 | 6.24 6.24 4.44
90 90 103
Hf 0.381 0.119 0.750
Mg 0.108 0.830 0.250
Mg 0.670 0.392 0.250
Mg 0.606 0.894 0.250
Mg 0.315 0.600 0.750
Mg 0.900 0.185 0.750
Mg 0.813 0.687 0.750
Si 0.207 0.293 0.250 |
Below is a description of a material. | The chemical formula is: LuCu2Si2.
The XRD pattern shows main peaks at: 24.4°(0.48), 32.3°(0.06), 35.4°(0.47), 36.0°(0.16), 37.1°(1.0), 46.3°(0.34), 51.4°(0.19), 59.6°(0.2), 60.1°(0.15), 65.5°(0.15), 67.6°(0.11), 79.7°(0.2).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-161679 | 3.92 3.92 5.70
110 110 89
Lu 0.000 0.000 0.000
Cu 0.250 0.750 0.500
Cu 0.750 0.250 0.500
Si 0.616 0.616 0.232
Si 0.384 0.384 0.768 |
Below is a description of a material. | The chemical formula is: Hf2TcIr.
The XRD pattern shows main peaks at: 39.1°(1.0), 56.5°(0.17), 70.9°(0.34), 84.1°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-106526 | 4.61 4.61 4.61
60 60 60
Hf 0.250 0.250 0.250
Hf 0.750 0.750 0.750
Tc 0.000 0.000 0.000
Ir 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: HgC.
The XRD pattern shows main peaks at: 26.7°(1.0), 30.8°(0.42), 38.1°(0.51), 41.2°(0.61), 49.7°(0.46), 54.9°(0.16), 62.1°(0.21), 64.3°(0.22), 70.9°(0.29), 77.0°(0.12), 81.5°(0.05), 89.5°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-124329 | 3.34 3.34 2.91
90 90 90
Hg 0.500 0.500 -0.000
C 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Lu4Ge6Os7.
The XRD pattern shows main peaks at: 15.1°(0.08), 26.3°(0.23), 30.5°(0.12), 37.5°(1.0), 40.7°(0.35), 43.6°(0.72), 51.6°(0.15), 63.4°(0.42), 69.8°(0.08), 76.0°(0.29), 78.1°(0.1), 86.1°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom type... | JVASP-159400 | 7.19 7.19 7.19
109 109 109
Lu -0.000 0.000 0.500
Lu -0.000 0.500 0.000
Lu 0.500 0.500 0.500
Lu 0.500 -0.000 -0.000
Ge -0.000 0.309 0.309
Ge 0.309 0.309 -0.000
Ge 0.691 0.000 0.691
Ge 0.309 -0.000 0.309
Ge 0.691 0.691 0.000
Ge -0.000 0.691 0.691
Os 0.500 0.250 0.750
Os 0.250 0.750 0.500
Os 0.750 0.250 0.500
Os 0.750 0.5... |
Below is a description of a material. | The chemical formula is: Al3VNi2.
The XRD pattern shows main peaks at: 9.0°(0.14), 27.2°(0.13), 32.2°(0.16), 42.6°(1.0), 46.1°(0.43), 49.4°(0.06), 54.3°(0.07), 67.3°(0.12), 82.9°(0.25).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-191869 | 2.78 2.78 9.85
90 90 90
Al -0.000 -0.000 0.000
Al -0.000 -0.000 0.691
Al -0.000 0.000 0.309
V 0.500 0.500 0.500
Ni 0.500 0.500 0.845
Ni 0.500 0.500 0.155 |
Below is a description of a material. | The chemical formula is: ZrInCu.
The XRD pattern shows main peaks at: 26.7°(0.26), 35.4°(1.0), 40.7°(0.92), 46.8°(0.22), 49.2°(0.08), 54.4°(0.05), 55.0°(0.26), 63.7°(0.08), 70.1°(0.15), 70.7°(0.23), 74.1°(0.13), 74.6°(0.09), 78.4°(0.09), 88.1°(0.09).
Generate atomic structure description with lattice lengths, angles, c... | JVASP-193419 | 4.43 4.43 6.74
90 90 120
Cu 0.667 0.333 0.189
Cu 0.333 0.667 0.689
Zr -0.000 0.000 0.013
Zr -0.000 0.000 0.513
In 0.667 0.333 0.776
In 0.333 0.667 0.276 |
Below is a description of a material. | The chemical formula is: Mg6NbMo.
The XRD pattern shows main peaks at: 16.2°(0.35), 16.8°(1.0), 24.6°(0.17), 28.6°(0.09), 29.7°(0.12), 34.1°(0.51), 37.4°(0.4), 37.8°(0.81), 39.0°(0.87), 41.3°(0.21), 48.1°(0.16), 48.8°(0.14), 51.5°(0.3), 59.2°(0.13), 61.8°(0.1), 62.6°(0.11), 67.8°(0.14), 68.6°(0.17), 72.2°(0.13), 74.7°(... | JVASP-92851 | 6.25 6.25 4.80
90 90 122
Mg 0.183 0.833 0.250
Mg 0.667 0.317 0.250
Mg 0.670 0.830 0.250
Mg 0.318 0.667 0.750
Mg 0.833 0.182 0.750
Mg 0.828 0.672 0.750
Nb 0.191 0.309 0.250
Mo 0.309 0.191 0.750 |
Below is a description of a material. | The chemical formula is: CeCrPO.
The XRD pattern shows main peaks at: 10.4°(0.06), 25.6°(0.4), 31.6°(1.0), 33.3°(0.15), 35.0°(0.26), 39.6°(0.29), 46.6°(0.05), 47.8°(0.3), 49.1°(0.13), 55.1°(0.34), 58.4°(0.41), 59.6°(0.07), 69.9°(0.09), 71.0°(0.09), 78.7°(0.11), 79.7°(0.08), 83.5°(0.06).
Generate atomic structure descri... | JVASP-159704 | 3.81 3.81 8.49
90 90 90
Ce 0.250 0.250 0.154
Ce 0.750 0.750 0.846
Cr 0.750 0.250 0.500
Cr 0.250 0.750 0.500
P 0.750 0.750 0.340
P 0.250 0.250 0.660
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: PbIBr.
The XRD pattern shows main peaks at: 19.6°(0.29), 21.6°(0.11), 22.0°(0.24), 28.1°(1.0), 28.6°(0.1), 29.9°(0.64), 31.9°(0.43), 33.4°(0.19), 34.0°(0.55), 35.5°(0.19), 40.2°(0.3), 40.5°(0.31), 45.0°(0.12), 47.2°(0.21), 47.8°(0.14), 52.4°(0.24), 54.9°(0.1), 58.4°(0.2), 63.0°(0.1), 64.4°(0.12... | JVASP-32829 | 4.45 8.73 10.57
90 90 90
Pb 0.750 0.164 0.845
Pb 0.250 0.836 0.155
Pb 0.250 0.336 0.345
Pb 0.750 0.664 0.655
I 0.250 0.998 0.670
I 0.750 0.502 0.170
I 0.750 0.002 0.330
I 0.250 0.498 0.830
Br 0.750 0.342 0.553
Br 0.250 0.658 0.447
Br 0.750 0.842 0.947
Br 0.250 0.158 0.053 |
Below is a description of a material. | The chemical formula is: SmB2Rh2C.
The XRD pattern shows main peaks at: 24.8°(0.34), 34.9°(0.3), 37.5°(1.0), 47.4°(0.29), 60.1°(0.22), 64.2°(0.23), 69.3°(0.09), 79.9°(0.1), 81.5°(0.21).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-86629 | 3.84 3.84 5.82
109 109 90
Sm 0.000 0.000 0.000
B 0.645 0.645 0.289
B 0.355 0.355 0.711
Rh 0.750 0.250 0.500
Rh 0.250 0.750 0.500
C 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: CdAg2SnSe4.
The XRD pattern shows main peaks at: 23.9°(1.0), 25.1°(0.88), 27.0°(0.89), 34.9°(0.42), 41.7°(0.86), 42.1°(0.45), 45.4°(0.75), 49.1°(0.27), 49.6°(0.36), 50.6°(0.1), 55.8°(0.07), 62.9°(0.07), 63.4°(0.26), 71.2°(0.12), 76.7°(0.14), 79.2°(0.17), 82.1°(0.06), 85.9°(0.08).
Generate atomi... | JVASP-103115 | 4.29 7.10 7.52
90 90 90
Cd 0.000 0.108 0.825
Ag 0.500 0.131 0.326
Ag 0.500 0.647 0.692
Sn 0.000 0.631 0.159
Se 0.500 0.505 0.342
Se 0.000 0.494 0.841
Se 0.500 0.009 0.652
Se 0.000 0.994 0.164 |
Below is a description of a material. | The chemical formula is: Pr2MgGe2.
The XRD pattern shows main peaks at: 16.7°(0.17), 20.1°(0.05), 23.7°(0.14), 26.5°(0.09), 31.2°(0.28), 33.5°(1.0), 37.9°(0.17), 40.8°(0.16), 43.4°(0.07), 50.1°(0.11), 51.6°(0.08), 54.5°(0.14), 55.9°(0.07), 56.9°(0.1), 61.1°(0.05), 66.5°(0.1), 67.8°(0.06), 69.6°(0.12), 70.8°(0.06), 77.1... | JVASP-23566 | 7.51 7.51 4.43
90 90 90
Pr 0.321 0.821 0.500
Pr 0.821 0.679 0.500
Pr 0.179 0.321 0.500
Pr 0.679 0.179 0.500
Mg 0.500 0.500 0.000
Mg 0.000 0.000 0.000
Ge 0.121 0.621 0.000
Ge 0.621 0.879 0.000
Ge 0.879 0.379 0.000
Ge 0.379 0.121 0.000 |
Below is a description of a material. | The chemical formula is: CaIn.
The XRD pattern shows main peaks at: 23.2°(0.27), 33.1°(1.0), 40.8°(0.09), 47.5°(0.17), 59.1°(0.34), 69.4°(0.11), 79.1°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-17994 | 6.64 6.64 6.64
109 109 109
Ca 0.500 0.750 0.250
Ca 0.500 0.250 0.750
Ca 0.000 0.750 0.750
Ca -0.000 0.250 0.250
In 0.500 0.750 0.750
In 0.000 0.750 0.250
In -0.000 0.250 0.750
In 0.500 0.250 0.250 |
Below is a description of a material. | The chemical formula is: LiYIn.
The XRD pattern shows main peaks at: 21.1°(0.52), 33.4°(1.0), 37.0°(0.53), 43.0°(0.08), 50.7°(0.29), 52.6°(0.06), 57.3°(0.06), 58.0°(0.06), 64.5°(0.29), 66.1°(0.2), 66.7°(0.09), 78.9°(0.06), 87.2°(0.06), 88.4°(0.13).
Generate atomic structure description with lattice lengths, angles, coo... | JVASP-189602 | 4.85 4.85 3.48
90 90 120
Y 0.333 0.667 0.667
Li 0.667 0.333 0.167
In -0.000 0.000 0.167 |
Below is a description of a material. | The chemical formula is: ZrAl2Au.
The XRD pattern shows main peaks at: 21.1°(0.18), 22.3°(0.44), 30.0°(0.43), 30.9°(0.15), 37.7°(1.0), 43.0°(0.32), 45.5°(0.14), 48.9°(0.22), 53.8°(0.07), 55.4°(0.14), 62.4°(0.11), 64.3°(0.19), 67.1°(0.09), 70.8°(0.07), 75.2°(0.25), 78.8°(0.11), 80.5°(0.11), 88.2°(0.08).
Generate atomic ... | JVASP-190631 | 4.21 4.21 3.99
90 90 90
Au 0.500 0.000 0.500
Al 0.000 0.000 0.000
Al 0.500 0.500 0.000
Zr 0.000 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Ge2TeSe.
The XRD pattern shows main peaks at: 30.5°(1.0), 43.7°(0.71), 54.2°(0.21), 63.5°(0.11), 72.1°(0.28), 80.3°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-103094 | 7.16 7.16 7.16
33 33 33
Ge 0.245 0.245 0.245
Ge 0.755 0.755 0.755
Te 0.000 0.000 0.000
Se 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Ba2FeMoO6.
The XRD pattern shows main peaks at: 31.8°(1.0), 39.2°(0.1), 45.5°(0.33), 56.6°(0.41), 66.4°(0.19), 75.4°(0.16), 84.2°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-150700 | 5.63 5.63 5.63
60 59 60
Ba 0.250 0.250 0.250
Ba 0.750 0.750 0.750
Fe 0.000 0.000 0.000
Mo 0.500 0.500 0.500
O 0.747 0.253 0.253
O 0.253 0.747 0.747
O 0.253 0.253 0.747
O 0.747 0.747 0.253
O 0.747 0.253 0.747
O 0.253 0.747 0.253 |
Below is a description of a material. | The chemical formula is: TbAlCu.
The XRD pattern shows main peaks at: 20.1°(0.5), 32.7°(0.41), 33.4°(0.8), 38.8°(1.0), 39.8°(0.56), 40.9°(0.15), 58.9°(0.2), 60.0°(0.12), 62.4°(0.18), 63.1°(0.1), 64.7°(0.07), 68.4°(0.07), 70.0°(0.24).
Generate atomic structure description with lattice lengths, angles, coordinates and at... | JVASP-100338 | 5.38 5.38 5.38
118 119 92
Tb 0.122 0.872 0.250
Tb 0.878 0.128 0.750
Al 0.500 0.500 0.500
Al 0.500 0.000 0.000
Cu 0.500 0.500 -0.000
Cu -0.000 0.500 0.500 |
Below is a description of a material. | The chemical formula is: AlPS.
The XRD pattern shows main peaks at: 14.5°(0.06), 29.3°(0.14), 34.0°(1.0), 35.0°(0.22), 36.9°(0.07), 39.8°(0.48), 41.4°(0.1), 43.7°(0.22), 44.6°(0.07), 46.2°(0.33), 52.9°(0.17), 55.7°(0.12), 59.9°(0.2), 68.2°(0.17), 71.2°(0.13), 80.8°(0.1), 88.4°(0.09).
Generate atomic structure descripti... | JVASP-135459 | 6.79 6.79 6.79
150 137 52
Al 0.348 0.848 0.500
Al 0.652 0.152 0.500
P 0.782 0.500 0.282
P 0.218 0.500 0.718
S 0.216 0.216 -0.000
S 0.784 0.784 -0.000 |
Below is a description of a material. | The chemical formula is: LiFePO4.
The XRD pattern shows main peaks at: 20.1°(0.97), 25.0°(0.38), 30.4°(0.53), 32.1°(0.25), 34.1°(1.0), 35.6°(0.51), 37.3°(0.11), 39.0°(0.11), 40.8°(0.23), 51.4°(0.1), 53.3°(0.4), 53.8°(0.18), 58.0°(0.19), 59.6°(0.21), 69.5°(0.11), 75.4°(0.09), 81.1°(0.09).
Generate atomic structure descr... | JVASP-116869 | 5.42 6.24 5.42
76 62 103
Li 0.437 0.250 0.437
Li 0.187 0.750 0.187
Fe 0.808 0.250 0.808
Fe 0.558 0.750 0.558
P 0.129 0.250 0.130
P 0.879 0.750 0.880
O 0.798 0.091 0.246
O 0.323 0.104 0.134
O 0.738 0.604 0.219
O 0.837 0.591 0.707
O 0.134 0.396 0.323
O 0.246 0.409 0.798
O 0.707 0.909 0.837
O 0.219 0.896 0.738 |
Below is a description of a material. | The chemical formula is: Rb2TlInI6.
The XRD pattern shows main peaks at: 14.4°(0.55), 20.4°(0.19), 25.0°(0.52), 28.9°(1.0), 41.4°(0.82), 51.3°(0.29), 60.0°(0.13), 68.0°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-109250 | 8.72 8.72 8.72
60 60 60
Rb 0.750 0.750 0.750
Rb 0.250 0.250 0.250
Tl 0.000 0.000 0.000
In 0.500 0.500 0.500
I 0.738 0.262 0.262
I 0.262 0.262 0.738
I 0.262 0.738 0.738
I 0.262 0.738 0.262
I 0.738 0.262 0.738
I 0.738 0.738 0.262 |
Below is a description of a material. | The chemical formula is: LuRe.
The XRD pattern shows main peaks at: 33.5°(0.21), 38.8°(1.0), 52.1°(0.13), 59.9°(0.15), 70.2°(0.15), 73.6°(0.29).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-127100 | 3.09 3.09 4.65
90 90 119
Lu 0.333 0.667 0.250
Re 0.667 0.333 0.750 |
Below is a description of a material. | The chemical formula is: ThC2.
The XRD pattern shows main peaks at: 24.9°(0.09), 26.8°(1.0), 27.2°(0.81), 30.0°(1.0), 33.7°(0.42), 42.4°(0.14), 43.5°(0.19), 44.7°(0.1), 45.8°(0.42), 51.1°(0.29), 51.8°(0.27), 55.2°(0.13), 56.3°(0.26), 62.4°(0.09), 70.1°(0.06).
Generate atomic structure description with lattice lengths, ... | JVASP-86979 | 3.98 3.98 6.77
78 78 64
Th 0.794 0.206 0.250
Th 0.206 0.794 0.750
C 0.168 0.432 0.447
C 0.568 0.832 0.053
C 0.432 0.168 0.947
C 0.832 0.568 0.553 |
Below is a description of a material. | The chemical formula is: Tc8Ru.
The XRD pattern shows main peaks at: 40.4°(1.0), 47.0°(0.48), 68.7°(0.29), 82.8°(0.35), 87.4°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-188662 | 3.86 6.11 6.11
95 108 71
Ru -0.000 0.000 -0.000
Tc -0.000 0.332 0.332
Tc 0.000 0.668 0.668
Tc 0.332 0.668 0.332
Tc 0.334 0.000 0.669
Tc 0.334 0.331 -0.000
Tc 0.668 0.332 0.668
Tc 0.666 0.669 0.000
Tc 0.666 -0.000 0.331 |
Below is a description of a material. | The chemical formula is: NaLaMgTeO6.
The XRD pattern shows main peaks at: 11.2°(0.43), 19.5°(0.37), 25.2°(0.3), 32.0°(1.0), 34.1°(0.08), 37.8°(0.16), 45.9°(0.43), 47.5°(0.07), 57.2°(0.39), 66.8°(0.11), 67.2°(0.13), 76.3°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom typ... | JVASP-155109 | 5.57 5.60 7.90
89 90 90
Na 0.250 0.767 0.500
Na 0.750 0.233 0.500
La 0.250 0.755 0.002
La 0.750 0.245 0.998
Mg 0.250 0.252 0.268
Mg 0.750 0.748 0.732
Te 0.250 0.257 0.742
Te 0.750 0.743 0.258
O 0.508 0.503 0.198
O 0.492 0.497 0.802
O 0.997 0.984 0.270
O 0.497 0.016 0.730
O 0.003 0.016 0.730
O 0.503 0.984 0.270
O 0.250 ... |
Below is a description of a material. | The chemical formula is: CaTa.
The XRD pattern shows main peaks at: 24.5°(0.48), 34.9°(1.0), 43.1°(0.14), 50.2°(0.18), 56.7°(0.19), 62.6°(0.35), 73.8°(0.11), 79.1°(0.1), 84.3°(0.17), 89.5°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-128230 | 3.63 3.63 3.63
90 90 90
Ca 0.500 0.500 0.500
Ta 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: MgScPd2.
The XRD pattern shows main peaks at: 27.5°(0.34), 39.3°(1.0), 48.7°(0.1), 56.8°(0.16), 71.3°(0.34), 84.6°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-187964 | 4.58 4.58 4.58
59 59 60
Sc 0.250 0.250 0.250
Mg 0.750 0.750 0.750
Pd 0.000 0.000 0.000
Pd 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: YbNbPb2O6.
The XRD pattern shows main peaks at: 30.0°(1.0), 37.0°(0.05), 43.0°(0.26), 53.3°(0.42), 62.4°(0.17), 70.8°(0.17), 78.7°(0.06), 86.5°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-100321 | 5.95 5.95 5.95
60 60 60
Yb 0.500 0.500 0.500
Nb 0.000 0.000 0.000
Pb 0.250 0.250 0.250
Pb 0.750 0.750 0.750
O 0.763 0.237 0.237
O 0.237 0.763 0.763
O 0.237 0.237 0.763
O 0.763 0.763 0.237
O 0.237 0.763 0.237
O 0.763 0.237 0.763 |
Below is a description of a material. | The chemical formula is: Be3Ni.
The XRD pattern shows main peaks at: 27.7°(1.0), 39.5°(0.8), 48.9°(0.75), 56.7°(0.12), 57.2°(0.2), 64.3°(0.16), 64.7°(0.25), 71.7°(0.21), 84.8°(0.13), 85.3°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-189258 | 3.25 3.22 3.22
90 90 90
Ni 0.000 0.500 0.417
Be 0.000 0.000 0.917
Be 0.500 0.000 0.417
Be 0.500 0.500 0.917 |
Below is a description of a material. | The chemical formula is: RbB11.
The XRD pattern shows main peaks at: 19.7°(0.14), 22.1°(1.0), 24.3°(0.37), 24.8°(0.2), 29.3°(0.15), 30.5°(0.33), 35.2°(0.16), 35.8°(0.34), 37.2°(0.06), 40.1°(0.24), 41.4°(0.13), 42.5°(0.26), 42.9°(0.12), 44.9°(0.1), 66.2°(0.07).
Generate atomic structure description with lattice lengths,... | JVASP-125149 | 5.12 7.66 5.12
57 56 57
Rb 0.009 0.559 0.009
B 0.018 0.032 0.658
B 0.658 0.032 0.018
B 0.356 0.009 -0.001
B -0.011 0.210 -0.011
B -0.001 0.009 0.356
B 0.171 0.813 0.171
B 0.241 0.174 0.605
B 0.605 0.174 0.241
B 0.408 0.870 0.754
B 0.790 0.250 0.790
B 0.754 0.870 0.408 |
Below is a description of a material. | The chemical formula is: TaBeBr.
The XRD pattern shows main peaks at: 13.4°(1.0), 26.9°(0.08), 32.8°(0.27), 35.6°(0.87), 40.9°(0.14), 43.0°(0.57), 53.4°(0.18), 58.6°(0.17), 60.4°(0.13), 66.0°(0.1), 70.5°(0.12), 73.9°(0.14), 75.4°(0.11), 80.7°(0.1), 85.0°(0.09).
Generate atomic structure description with lattice lengths... | JVASP-71386 | 3.15 3.15 6.62
90 90 120
Ta 0.667 0.333 0.674
Be 0.000 0.000 0.944
Br 0.333 0.667 0.381 |
Below is a description of a material. | The chemical formula is: MgAu5.
The XRD pattern shows main peaks at: 21.1°(0.08), 23.7°(0.08), 35.4°(0.25), 37.4°(0.26), 40.2°(1.0), 52.4°(0.17), 63.5°(0.16), 69.3°(0.2), 76.1°(0.21), 77.9°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-107192 | 5.63 5.63 5.63
53 53 53
Mg 0.500 0.500 0.500
Au 0.000 0.666 0.334
Au 0.666 0.334 -0.000
Au 0.334 -0.000 0.666
Au 0.832 0.832 0.832
Au 0.168 0.168 0.168 |
Below is a description of a material. | The chemical formula is: TlIr.
The XRD pattern shows main peaks at: 32.8°(0.27), 38.8°(1.0), 40.9°(0.2), 53.4°(0.14), 58.5°(0.2), 72.4°(0.15), 73.1°(0.16), 73.9°(0.2).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-131065 | 3.15 3.15 4.41
90 90 119
Tl 0.667 0.333 0.750
Ir 0.333 0.667 0.250 |
Below is a description of a material. | The chemical formula is: BaZnGe.
The XRD pattern shows main peaks at: 23.0°(0.07), 29.5°(1.0), 36.9°(0.17), 40.4°(0.36), 50.8°(0.2), 55.8°(0.29), 66.8°(0.17), 73.4°(0.06), 85.1°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-16664 | 4.47 4.47 9.74
90 90 120
Ba 0.000 0.000 0.500
Ba 0.000 0.000 0.000
Zn 0.667 0.333 0.250
Zn 0.333 0.667 0.750
Ge 0.333 0.667 0.250
Ge 0.667 0.333 0.750 |
Below is a description of a material. | The chemical formula is: RbZrCu3Se4.
The XRD pattern shows main peaks at: 14.0°(0.22), 19.9°(0.2), 24.5°(0.72), 34.9°(0.12), 40.5°(1.0), 43.0°(0.06), 47.8°(0.31), 52.3°(0.09), 54.4°(0.08), 58.6°(0.15), 62.5°(0.07), 64.4°(0.12), 73.6°(0.3), 77.1°(0.06), 78.9°(0.08), 87.5°(0.09).
Generate atomic structure description wit... | JVASP-99484 | 6.31 6.31 6.31
90 90 90
Rb 0.500 0.500 0.500
Zr 0.000 0.000 0.000
Cu 0.000 0.500 0.000
Cu 0.000 0.000 0.500
Cu 0.500 0.000 0.000
Se 0.227 0.227 0.227
Se 0.773 0.773 0.227
Se 0.227 0.773 0.773
Se 0.773 0.227 0.773 |
Below is a description of a material. | The chemical formula is: SrZrZn.
The XRD pattern shows main peaks at: 22.2°(0.39), 25.7°(0.1), 36.7°(1.0), 43.3°(0.18), 52.8°(0.19), 58.0°(0.08), 66.0°(0.38), 70.6°(0.06), 77.9°(0.11), 82.3°(0.05), 89.4°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-51173 | 4.90 4.90 4.90
60 60 60
Sr 0.000 0.000 0.000
Zr 0.250 0.250 0.250
Zn 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: NaLi2AlF6.
The XRD pattern shows main peaks at: 19.5°(0.1), 22.6°(1.0), 39.7°(0.19), 46.1°(0.56), 51.9°(0.27), 67.3°(0.26), 85.4°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-105623 | 5.57 5.57 5.57
60 60 60
Na 0.500 0.500 0.500
Li 0.750 0.750 0.750
Li 0.250 0.250 0.250
Al 0.000 0.000 0.000
F 0.770 0.230 0.230
F 0.230 0.230 0.770
F 0.230 0.770 0.770
F 0.230 0.770 0.230
F 0.770 0.230 0.770
F 0.770 0.770 0.230 |
Below is a description of a material. | The chemical formula is: CrSn2.
The XRD pattern shows main peaks at: 30.8°(0.52), 33.5°(1.0), 34.4°(0.81), 34.9°(0.72), 36.3°(0.62), 38.4°(0.3), 39.2°(0.86), 43.3°(0.98), 59.2°(0.19), 60.3°(0.44), 63.1°(0.2), 65.5°(0.13), 69.5°(0.31), 80.7°(0.07).
Generate atomic structure description with lattice lengths, angles, coor... | JVASP-57868 | 5.43 5.41 9.61
81 73 59
Cr 0.252 0.750 0.497
Cr 0.998 0.750 0.003
Cr 0.748 0.250 0.503
Cr 0.002 0.250 0.997
Sn 0.544 0.750 0.913
Sn 0.706 0.750 0.587
Sn 0.456 0.250 0.087
Sn 0.294 0.250 0.413
Sn 0.290 0.420 0.750
Sn 0.960 0.080 0.750
Sn 0.710 0.580 0.250
Sn 0.040 0.920 0.250 |
Below is a description of a material. | The chemical formula is: NaSm2Ru.
The XRD pattern shows main peaks at: 21.4°(0.08), 24.7°(0.2), 35.2°(1.0), 43.5°(0.06), 50.7°(0.18), 57.2°(0.08), 63.2°(0.37), 74.5°(0.11), 85.2°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-157019 | 5.10 5.10 5.10
60 60 60
Na 0.250 0.250 0.250
Sm 0.000 0.000 0.000
Sm 0.500 0.500 0.500
Ru 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: NbS.
The XRD pattern shows main peaks at: 28.6°(0.31), 40.9°(1.0), 50.7°(0.09), 59.2°(0.15), 67.1°(0.11), 74.5°(0.32), 88.7°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-129389 | 3.12 3.12 3.12
90 90 90
Nb 0.500 0.500 0.500
S 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: BaTa.
The XRD pattern shows main peaks at: 32.8°(1.0), 47.0°(0.18), 58.5°(0.4), 68.7°(0.12), 78.2°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-128927 | 3.86 3.86 3.86
90 90 90
Ba 0.500 0.500 0.500
Ta 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: TmF3.
The XRD pattern shows main peaks at: 28.2°(0.27), 28.6°(1.0), 35.4°(0.27), 45.9°(0.66), 50.2°(0.21), 51.0°(0.24), 58.3°(0.07), 59.5°(0.29), 70.1°(0.09), 74.3°(0.15), 75.0°(0.07), 80.4°(0.06), 81.1°(0.11), 82.0°(0.07), 85.8°(0.06).
Generate atomic structure description with lattice lengths... | JVASP-41388 | 4.06 4.06 4.06
127 127 77
Tm 0.000 0.000 0.000
F 0.750 0.250 0.500
F 0.250 0.750 0.500
F 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: LuCoO3.
The XRD pattern shows main peaks at: 24.0°(0.18), 24.5°(0.15), 27.0°(0.32), 32.8°(0.13), 34.6°(1.0), 35.1°(0.22), 35.7°(0.26), 41.4°(0.09), 43.8°(0.1), 44.7°(0.11), 49.2°(0.12), 50.3°(0.24), 50.9°(0.19), 55.1°(0.21), 61.3°(0.06), 63.4°(0.22), 66.9°(0.12), 73.0°(0.06), 84.9°(0.06), 88.2°... | JVASP-57198 | 5.03 5.47 7.26
90 90 90
Lu 0.526 0.583 0.250
Lu 0.974 0.083 0.250
Lu 0.474 0.417 0.750
Lu 0.026 0.917 0.750
Co 0.000 0.500 0.500
Co 0.000 0.500 0.000
Co 0.500 0.000 0.000
Co 0.500 0.000 0.500
O 0.616 0.037 0.750
O 0.684 0.306 0.444
O 0.184 0.194 0.556
O 0.684 0.306 0.056
O 0.116 0.463 0.250
O 0.884 0.537 0.750
O 0.316 ... |
Below is a description of a material. | The chemical formula is: BaZnF.
The XRD pattern shows main peaks at: 21.7°(1.0), 35.8°(0.99), 42.3°(0.53), 51.6°(0.18), 56.6°(0.23), 64.4°(0.36), 68.8°(0.16), 75.9°(0.1), 80.1°(0.17), 86.9°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-115584 | 5.01 5.01 5.01
60 60 60
Ba 0.250 0.250 0.250
Zn 0.500 0.500 0.500
F 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Sr3Hg.
The XRD pattern shows main peaks at: 15.9°(0.38), 16.3°(0.33), 17.9°(0.48), 22.5°(0.15), 25.6°(0.16), 26.7°(0.25), 27.6°(0.63), 29.4°(1.0), 31.1°(0.3), 32.5°(0.43), 33.2°(0.31), 34.0°(0.29), 35.0°(0.29), 41.7°(0.21), 42.4°(0.17), 45.8°(0.15), 49.8°(0.21), 53.5°(0.11), 54.7°(0.15), 58.4°(... | JVASP-117119 | 7.38 8.47 10.88
90 90 90
Sr 0.338 0.679 0.062
Sr 0.162 0.179 0.438
Sr 0.662 0.321 0.562
Sr 0.838 0.821 0.938
Sr 0.662 0.321 0.938
Sr 0.838 0.821 0.562
Sr 0.338 0.679 0.438
Sr 0.162 0.179 0.062
Sr 0.863 0.531 0.250
Sr 0.637 0.031 0.250
Sr 0.137 0.469 0.750
Sr 0.363 0.969 0.750
Hg 0.053 0.881 0.250
Hg 0.447 0.381 0.250
H... |
Below is a description of a material. | The chemical formula is: YScBe.
The XRD pattern shows main peaks at: 13.0°(0.24), 26.2°(0.32), 30.3°(0.24), 33.1°(1.0), 39.8°(0.06), 40.5°(0.33), 50.8°(0.22), 53.9°(0.19), 60.9°(0.16), 63.1°(0.11), 64.7°(0.13), 69.0°(0.07), 69.5°(0.06), 77.2°(0.08), 79.8°(0.05), 89.0°(0.1).
Generate atomic structure description with la... | JVASP-74252 | 3.40 3.40 6.80
90 90 120
Y 0.333 0.667 0.287
Sc 0.667 0.333 0.724
Be 0.000 0.000 0.989 |
Below is a description of a material. | The chemical formula is: LaInO3.
The XRD pattern shows main peaks at: 24.0°(0.08), 29.8°(0.22), 30.5°(1.0), 31.1°(0.24), 43.6°(0.31), 45.0°(0.06), 49.5°(0.08), 53.3°(0.13), 53.7°(0.1), 54.9°(0.25), 63.4°(0.12), 71.9°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-173514 | 5.76 6.00 8.29
90 90 90
La 0.016 0.943 0.250
La 0.516 0.557 0.750
La 0.484 0.443 0.250
La 0.984 0.057 0.750
In 0.500 0.000 0.000
In -0.000 0.500 0.000
In -0.000 0.500 0.500
In 0.500 0.000 0.500
O 0.617 0.048 0.250
O 0.117 0.452 0.750
O 0.883 0.548 0.250
O 0.383 0.952 0.750
O 0.194 0.197 0.061
O 0.694 0.303 0.939
O 0.30... |
Below is a description of a material. | The chemical formula is: Y3Al2.
The XRD pattern shows main peaks at: 24.2°(0.36), 28.1°(0.37), 30.8°(0.36), 32.1°(1.0), 33.0°(0.11), 33.9°(0.92), 34.5°(0.74), 36.5°(0.22), 45.5°(0.17), 47.9°(0.16), 51.8°(0.2), 53.1°(0.25), 54.4°(0.12), 55.5°(0.07), 57.3°(0.09), 58.0°(0.12), 60.3°(0.2), 62.6°(0.16), 64.1°(0.07), 68.0°(0... | JVASP-154835 | 8.22 8.22 7.60
90 90 90
Y 0.000 0.500 0.506
Y 0.799 0.799 0.756
Y 0.201 0.201 0.756
Y 0.653 0.347 0.756
Y 0.347 0.653 0.756
Y 0.847 0.847 0.256
Y 0.153 0.153 0.256
Y 0.500 0.000 0.006
Y 0.500 0.000 0.506
Y 0.701 0.299 0.256
Y 0.000 0.500 0.006
Y 0.299 0.701 0.256
Al 0.881 0.119 0.954
Al 0.119 0.881 0.954
Al 0.619 0.619... |
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