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: BaVO3.
The XRD pattern shows main peaks at: 22.5°(0.16), 32.0°(1.0), 39.4°(0.23), 45.8°(0.32), 51.6°(0.09), 57.0°(0.39), 66.8°(0.19), 71.5°(0.05), 76.0°(0.17), 80.5°(0.07), 84.8°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-36642 | 3.96 3.96 3.96
90 90 90
Ba 0.000 0.000 0.000
V 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: ErMg.
The XRD pattern shows main peaks at: 23.8°(0.58), 34.0°(1.0), 41.9°(0.19), 48.8°(0.18), 55.0°(0.26), 60.8°(0.38), 71.5°(0.11), 76.6°(0.13), 81.6°(0.16), 86.5°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-7990 | 3.73 3.73 3.73
90 90 90
Er 0.500 0.500 0.500
Mg 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: HfMnBe.
The XRD pattern shows main peaks at: 21.0°(0.45), 30.8°(1.0), 41.3°(0.48), 42.8°(0.15), 43.4°(0.84), 46.7°(0.22), 59.8°(0.16), 60.9°(0.2), 62.6°(0.08), 64.1°(0.1), 68.7°(0.21), 76.3°(0.1), 76.7°(0.32), 81.2°(0.12), 86.5°(0.1), 89.6°(0.06).
Generate atomic structure description with latt... | JVASP-67214 | 4.76 4.76 4.76
142 142 54
Hf 0.332 0.332 -0.000
Mn 0.641 0.641 -0.000
Be 0.027 0.027 -0.000 |
Below is a description of a material. | The chemical formula is: Er4Ga12Pt.
The XRD pattern shows main peaks at: 14.6°(0.06), 29.4°(0.62), 33.0°(0.18), 36.3°(1.0), 42.1°(0.9), 44.8°(0.07), 49.8°(0.13), 52.2°(0.16), 61.1°(0.51), 69.2°(0.18), 73.1°(0.25).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-143731 | 7.43 7.43 7.43
109 109 109
Er 0.500 0.500 0.500
Er 0.000 0.000 0.500
Er -0.000 0.500 -0.000
Er 0.500 0.000 0.000
Ga 0.750 0.250 0.500
Ga 0.750 0.500 0.250
Ga 0.250 0.500 0.750
Ga 0.500 0.250 0.750
Ga 0.500 0.750 0.250
Ga 0.298 0.298 -0.000
Ga 0.250 0.750 0.500
Ga 0.702 0.000 0.702
Ga 0.298 -0.000 0.298
Ga 0.000 0.702 0... |
Below is a description of a material. | The chemical formula is: Pr3Ga.
The XRD pattern shows main peaks at: 25.4°(0.17), 28.7°(0.7), 32.4°(1.0), 34.1°(0.16), 37.7°(0.17), 44.3°(0.21), 48.5°(0.33), 51.7°(0.09), 55.5°(0.12), 57.3°(0.1), 59.5°(0.18), 60.6°(0.18), 78.3°(0.08), 80.2°(0.15).
Generate atomic structure description with lattice lengths, angles, coor... | JVASP-132579 | 3.75 3.75 10.52
90 90 119
Pr 0.000 0.000 0.500
Pr 0.333 0.667 0.210
Pr 0.667 0.333 0.790
Ga 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Mn4Si3Ni5.
The XRD pattern shows main peaks at: 12.2°(0.05), 24.5°(0.2), 25.4°(0.05), 33.3°(0.11), 39.0°(0.17), 43.7°(0.79), 45.4°(0.28), 46.6°(0.62), 47.2°(1.0), 50.3°(0.11), 52.3°(0.14), 55.6°(0.06), 74.0°(0.23), 76.1°(0.12), 82.0°(0.23), 83.9°(0.17).
Generate atomic structure description wit... | JVASP-117017 | 4.62 4.62 7.26
90 90 120
Mn 0.319 0.681 0.826
Mn 0.679 0.321 0.676
Mn 0.679 0.321 0.324
Mn 0.319 0.681 0.174
Si 0.987 0.013 0.243
Si 0.987 0.013 0.757
Si 0.194 0.806 0.500
Ni 0.682 0.812 0.500
Ni 0.188 0.318 0.500
Ni 0.816 0.184 0.000
Ni 0.332 0.183 0.000
Ni 0.817 0.668 0.000 |
Below is a description of a material. | The chemical formula is: ZrTc.
The XRD pattern shows main peaks at: 32.3°(0.29), 39.1°(1.0), 43.6°(0.16), 55.3°(0.12), 57.6°(0.21), 71.8°(0.15), 75.0°(0.17), 77.1°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-124838 | 3.20 3.20 4.15
90 90 120
Zr 0.667 0.333 0.250
Tc 0.333 0.667 0.750 |
Below is a description of a material. | The chemical formula is: HgF2.
The XRD pattern shows main peaks at: 25.3°(0.83), 27.8°(1.0), 36.1°(0.23), 43.2°(0.14), 46.2°(0.72), 50.7°(0.23), 52.0°(0.14), 57.5°(0.12), 58.7°(0.14), 60.0°(0.19), 69.9°(0.14), 72.0°(0.13), 75.6°(0.15), 81.4°(0.14), 83.3°(0.12), 87.7°(0.05).
Generate atomic structure description with la... | JVASP-38158 | 4.98 4.98 4.19
90 90 90
Hg 0.000 0.000 0.000
Hg 0.500 0.500 0.500
F 0.298 0.298 0.000
F 0.702 0.702 0.000
F 0.202 0.798 0.500
F 0.798 0.202 0.500 |
Below is a description of a material. | The chemical formula is: Eu3As4Pd4.
The XRD pattern shows main peaks at: 6.9°(0.07), 25.0°(0.08), 30.4°(0.28), 31.3°(0.06), 33.6°(1.0), 35.7°(0.13), 37.1°(0.08), 41.1°(0.46), 42.2°(0.37), 44.8°(0.28), 52.9°(0.13), 56.5°(0.07), 62.2°(0.11), 62.7°(0.12), 63.3°(0.18), 71.7°(0.13), 75.5°(0.09), 76.5°(0.07).
Generate atomic... | JVASP-85436 | 4.05 4.28 12.78
90 90 90
Eu -0.010 0.000 0.802
Eu 0.010 -0.000 0.198
Eu 0.000 0.500 0.500
As 0.499 0.500 0.877
As 0.419 0.000 0.599
As 0.501 0.500 0.123
As 0.581 -0.000 0.401
Pd 0.473 0.500 0.315
Pd 0.527 0.500 0.685
Pd -0.000 0.500 0.000
Pd 0.500 0.000 -0.000 |
Below is a description of a material. | The chemical formula is: Pb2O3.
The XRD pattern shows main peaks at: 26.9°(1.0), 27.6°(0.12), 29.6°(0.22), 32.0°(0.25), 35.2°(0.18), 36.1°(0.12), 37.3°(0.11), 37.8°(0.12), 42.4°(0.05), 43.2°(0.13), 44.0°(0.17), 53.6°(0.12), 54.1°(0.23), 55.5°(0.12), 57.8°(0.07), 61.2°(0.1), 61.7°(0.11), 64.8°(0.05), 72.2°(0.07).
Genera... | JVASP-97658 | 5.82 6.78 8.23
90 89 106
Pb -0.000 0.000 0.250
Pb 0.538 0.141 0.500
Pb 0.000 0.500 0.750
Pb 0.462 0.859 0.000
Pb 0.462 0.359 -0.000
Pb -0.000 -0.000 0.750
Pb -0.000 0.500 0.250
Pb 0.538 0.641 0.500
O 0.256 0.812 0.289
O 0.256 0.312 0.289
O 0.744 0.688 0.789
O 0.256 0.312 0.711
O 0.744 0.688 0.211
O 0.256 0.812 0.711
O ... |
Below is a description of a material. | The chemical formula is: SnH4C2F2.
The XRD pattern shows main peaks at: 18.1°(0.89), 22.7°(1.0), 24.9°(0.34), 25.6°(0.54), 31.0°(0.14), 32.4°(0.25), 36.8°(0.3), 37.6°(0.13), 38.6°(0.23), 42.5°(0.32), 44.2°(0.21), 44.9°(0.14), 45.6°(0.24), 46.3°(0.17), 48.2°(0.15), 48.8°(0.14), 52.5°(0.11), 53.4°(0.13), 58.1°(0.11), 61.... | JVASP-104002 | 4.33 5.99 7.19
75 83 70
Sn 0.577 0.623 0.459
Sn 0.077 0.123 0.959
H 0.168 0.463 0.115
H 0.536 0.328 0.255
H 0.904 0.205 0.378
H 0.798 0.586 0.992
H 0.668 0.963 0.615
H 0.404 0.705 0.878
H 0.036 0.828 0.755
H 0.298 0.086 0.492
C 0.758 0.365 0.279
C 0.943 0.430 0.094
C 0.443 0.930 0.594
C 0.258 0.865 0.779
F 0.192 0.856 ... |
Below is a description of a material. | The chemical formula is: NdCo4P12.
The XRD pattern shows main peaks at: 15.9°(0.41), 27.8°(0.23), 32.2°(0.93), 36.1°(1.0), 43.0°(0.71), 46.1°(0.13), 49.1°(0.06), 52.0°(0.17), 57.4°(0.62), 59.9°(0.42), 64.9°(0.1), 67.3°(0.07), 69.7°(0.05), 74.3°(0.07), 76.6°(0.22), 78.8°(0.07), 83.3°(0.14).
Generate atomic structure des... | JVASP-159231 | 6.81 6.81 6.81
109 109 109
Nd 0.000 0.000 0.000
Co -0.000 0.500 0.000
Co 0.500 0.000 0.000
Co 0.500 0.500 0.500
Co -0.000 0.000 0.500
P 0.352 0.148 0.500
P 0.352 0.852 0.205
P 0.148 0.500 0.352
P 0.852 0.205 0.352
P 0.148 0.795 0.648
P 0.205 0.352 0.852
P 0.648 0.852 0.500
P 0.500 0.352 0.148
P 0.500 0.648 0.852
P 0.79... |
Below is a description of a material. | The chemical formula is: Al2Au.
The XRD pattern shows main peaks at: 25.5°(1.0), 29.5°(0.29), 42.2°(0.68), 49.9°(0.5), 52.3°(0.08), 61.2°(0.11), 67.4°(0.21), 77.1°(0.22).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-14998 | 4.28 4.28 4.28
59 60 60
Al 0.750 0.750 0.750
Al 0.250 0.250 0.250
Au 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: NbNiP2.
The XRD pattern shows main peaks at: 27.3°(0.38), 29.1°(0.06), 32.8°(0.24), 33.5°(0.1), 34.5°(0.11), 40.3°(0.16), 42.6°(0.09), 43.2°(1.0), 44.4°(0.1), 45.7°(0.05), 48.3°(0.09), 54.3°(0.16), 55.2°(0.1), 63.7°(0.05), 64.9°(0.06), 69.8°(0.05), 75.5°(0.08), 81.2°(0.07).
Generate atomic stru... | JVASP-23512 | 3.38 5.46 12.27
90 90 90
Nb 0.750 0.985 0.170
Nb 0.250 0.015 0.830
Nb 0.750 0.485 0.330
Nb 0.250 0.515 0.670
Ni 0.250 0.520 0.914
Ni 0.250 0.020 0.586
Ni 0.750 0.480 0.086
Ni 0.750 0.980 0.414
P 0.250 0.695 0.463
P 0.750 0.305 0.537
P 0.250 0.195 0.037
P 0.750 0.805 0.963
P 0.250 0.638 0.191
P 0.750 0.862 0.691
P 0.250... |
Below is a description of a material. | The chemical formula is: Ba3Br2O2.
The XRD pattern shows main peaks at: 16.5°(0.19), 23.1°(0.26), 24.1°(0.13), 25.1°(0.76), 25.5°(0.41), 26.3°(1.0), 28.4°(0.47), 30.0°(0.18), 30.7°(0.59), 31.8°(0.12), 33.0°(0.49), 34.2°(0.11), 35.1°(0.17), 35.6°(0.25), 36.5°(0.42), 41.3°(0.25), 43.9°(0.15), 46.2°(0.14), 48.1°(0.34), 48... | JVASP-52533 | 7.47 8.22 7.77
90 114 90
Ba -0.000 0.500 0.500
Ba 0.000 0.000 0.000
Ba 0.406 0.879 0.769
Ba 0.594 0.379 0.731
Ba 0.406 0.621 0.269
Ba 0.594 0.121 0.231
Br 0.185 0.346 0.926
Br 0.185 0.154 0.426
Br 0.815 0.846 0.574
Br 0.815 0.654 0.074
O 0.341 0.612 0.567
O 0.659 0.112 0.933
O 0.341 0.888 0.067
O 0.659 0.388 0.433 |
Below is a description of a material. | The chemical formula is: CaCo4Cu3O12.
The XRD pattern shows main peaks at: 35.5°(1.0), 51.1°(0.26), 63.8°(0.49), 75.2°(0.12), 86.1°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-140525 | 6.19 6.19 6.19
70 109 70
Ca 0.000 -0.000 -0.000
Co 0.500 0.500 0.500
Co 0.500 0.000 -0.000
Co -0.000 0.500 -0.000
Co 0.000 0.000 0.500
Cu 0.500 -0.000 0.500
Cu -0.000 0.500 0.500
Cu 0.500 0.500 -0.000
O 0.695 0.823 0.871
O 0.823 0.482 0.695
O 0.129 0.695 0.823
O 0.695 0.177 0.518
O 0.518 0.305 0.823
O 0.823 0.871 0.305... |
Below is a description of a material. | The chemical formula is: CdSbSe.
The XRD pattern shows main peaks at: 29.3°(1.0), 30.6°(0.43), 42.0°(0.35), 42.9°(0.69), 52.8°(0.38), 60.8°(0.13), 68.9°(0.15), 69.6°(0.16), 77.3°(0.24).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-138550 | 3.05 3.05 8.77
90 90 90
Cd 0.000 0.000 0.382
Sb 0.000 0.000 0.030
Se 0.000 0.000 0.710 |
Below is a description of a material. | The chemical formula is: YSF.
The XRD pattern shows main peaks at: 21.2°(0.95), 25.9°(0.83), 27.6°(1.0), 33.3°(0.29), 37.1°(0.29), 44.7°(0.92), 50.0°(0.56), 52.4°(0.12), 53.3°(0.16), 71.3°(0.1), 72.1°(0.14), 82.4°(0.13), 86.3°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and at... | JVASP-9421 | 4.05 4.05 16.74
90 90 120
Y 0.667 0.333 0.250
Y 0.333 0.667 0.750
Y 0.000 0.000 0.500
Y 0.000 0.000 0.000
S 0.667 0.333 0.414
S 0.667 0.333 0.086
S 0.333 0.667 0.586
S 0.333 0.667 0.914
F 0.333 0.667 0.250
F 0.000 0.000 0.250
F 0.000 0.000 0.750
F 0.667 0.333 0.750 |
Below is a description of a material. | The chemical formula is: BaCa2Mg.
The XRD pattern shows main peaks at: 9.8°(0.33), 19.7°(0.15), 21.0°(0.26), 23.2°(0.49), 28.9°(1.0), 29.8°(0.64), 31.5°(0.1), 36.0°(0.13), 36.7°(0.1), 42.7°(0.38), 49.2°(0.13), 50.7°(0.13), 52.4°(0.38), 52.9°(0.1), 55.4°(0.12), 60.0°(0.11), 69.9°(0.07), 70.3°(0.13), 72.4°(0.11), 85.5°(0... | JVASP-69136 | 4.23 4.23 9.01
90 90 90
Ba 0.500 0.500 0.717
Ca 0.000 0.000 0.033
Ca 0.500 0.500 0.284
Mg 0.000 0.000 0.465 |
Below is a description of a material. | The chemical formula is: Tc2MoRh.
The XRD pattern shows main peaks at: 40.2°(1.0), 46.6°(0.17), 46.9°(0.32), 68.3°(0.22), 82.0°(0.13), 82.6°(0.27), 87.0°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-188383 | 3.87 3.87 3.90
90 90 90
Mo 0.500 -0.000 0.500
Rh 0.000 0.500 0.500
Tc 0.000 -0.000 0.000
Tc 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: SrBrF.
The XRD pattern shows main peaks at: 24.2°(0.12), 29.9°(0.69), 32.3°(1.0), 38.8°(0.31), 42.8°(0.42), 49.8°(0.06), 54.6°(0.46), 58.9°(0.06), 62.1°(0.14), 70.5°(0.12), 71.6°(0.19), 75.8°(0.08), 87.3°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-134247 | 4.22 4.22 7.36
90 90 90
Sr 0.500 0.000 0.187
Sr 0.000 0.500 0.813
Br 0.500 0.000 0.647
Br 0.000 0.500 0.353
F 0.500 0.500 0.000
F 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: U3Kr.
The XRD pattern shows main peaks at: 8.8°(1.0), 26.5°(0.07), 29.0°(0.32), 32.1°(0.22), 35.3°(0.23), 35.7°(0.1), 39.8°(0.22), 42.8°(0.23), 46.7°(0.09), 47.6°(0.1), 53.6°(0.06), 57.8°(0.09), 60.7°(0.07), 71.9°(0.05), 75.4°(0.09).
Generate atomic structure description with lattice lengths, a... | JVASP-123495 | 2.90 10.10 3.89
90 90 90
U 0.500 0.462 0.250
U 0.500 0.633 0.750
U 0.000 0.798 0.250
Kr 0.000 0.107 0.750 |
Below is a description of a material. | The chemical formula is: YbPmPd2.
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-39830 | 4.96 4.96 4.96
60 60 60
Yb 0.750 0.750 0.750
Pm 0.250 0.250 0.250
Pd 0.500 0.500 0.500
Pd 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Rb2NbF6.
The XRD pattern shows main peaks at: 19.0°(0.06), 25.4°(1.0), 29.1°(0.66), 38.9°(0.78), 42.2°(0.26), 49.3°(0.31), 51.5°(0.14), 52.1°(0.26), 60.2°(0.21), 60.8°(0.2), 66.4°(0.14), 67.4°(0.13), 74.1°(0.11), 76.3°(0.1), 81.5°(0.09).
Generate atomic structure description with lattice length... | JVASP-2889 | 6.15 6.15 4.67
90 90 120
Rb 0.333 0.667 0.706
Rb 0.667 0.333 0.294
Nb 0.000 0.000 0.000
F 0.839 0.677 0.773
F 0.323 0.161 0.773
F 0.839 0.161 0.773
F 0.161 0.323 0.227
F 0.677 0.839 0.227
F 0.161 0.839 0.227 |
Below is a description of a material. | The chemical formula is: V2Pb3O8.
The XRD pattern shows main peaks at: 18.4°(0.32), 25.1°(0.16), 28.4°(1.0), 31.2°(0.91), 40.4°(0.11), 42.7°(0.45), 48.6°(0.31), 53.8°(0.39), 55.4°(0.18), 58.9°(0.14), 65.0°(0.16), 68.1°(0.22).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types... | JVASP-12663 | 7.51 7.51 7.51
44 44 44
V 0.595 0.595 0.595
V 0.405 0.405 0.405
Pb 0.799 0.799 0.799
Pb 0.201 0.201 0.201
Pb 0.000 0.000 0.000
O 0.680 0.680 0.680
O 0.320 0.320 0.320
O 0.732 0.732 0.236
O 0.732 0.236 0.732
O 0.236 0.732 0.732
O 0.268 0.764 0.268
O 0.268 0.268 0.764
O 0.764 0.268 0.268 |
Below is a description of a material. | The chemical formula is: TaHO3.
The XRD pattern shows main peaks at: 14.4°(1.0), 27.2°(0.4), 28.9°(0.59), 32.7°(0.14), 35.1°(0.05), 44.0°(0.09), 47.0°(0.09), 48.7°(0.18), 56.1°(0.19).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-59247 | 7.49 7.49 7.73
58 58 62
Ta 0.000 0.500 0.000
Ta 0.500 0.000 0.000
Ta 0.000 0.000 0.000
Ta -0.000 -0.000 0.500
H 0.177 0.177 0.573
H 0.823 0.823 0.427
H 0.427 0.427 0.823
H 0.573 0.573 0.177
O 0.051 0.699 0.051
O 0.051 0.699 0.699
O 0.699 0.051 0.051
O 0.332 0.332 0.918
O 0.699 0.051 0.699
O 0.668 0.668 0.082
O 0.301 0.... |
Below is a description of a material. | The chemical formula is: NaLiO.
The XRD pattern shows main peaks at: 14.0°(1.0), 19.8°(0.08), 21.9°(0.07), 28.2°(0.55), 36.0°(0.24), 39.7°(0.35), 40.3°(0.06), 41.4°(0.09), 42.3°(0.11), 42.8°(0.36), 45.3°(0.07), 46.3°(0.22), 49.4°(0.18), 52.0°(0.08), 55.1°(0.05), 59.8°(0.24), 62.2°(0.08), 67.4°(0.07), 74.0°(0.12), 76.3°... | JVASP-50330 | 6.73 6.73 6.73
96 96 140
Na 0.909 0.750 0.159
Na 0.250 0.409 0.159
Na 0.250 0.091 0.841
Na 0.591 0.750 0.841
Li 0.900 0.100 0.500
Li 0.600 0.100 0.200
Li 0.900 0.400 0.800
Li 0.600 0.400 0.500
O 0.470 0.250 0.220
O 0.750 0.970 0.220
O 0.750 0.530 0.780
O 0.030 0.250 0.780 |
Below is a description of a material. | The chemical formula is: Ti3Hg.
The XRD pattern shows main peaks at: 21.6°(0.61), 30.7°(0.55), 37.8°(1.0), 44.0°(0.49), 49.5°(0.31), 54.6°(0.23), 63.9°(0.31), 68.3°(0.15), 72.6°(0.1), 76.7°(0.34), 80.8°(0.1), 84.9°(0.07), 88.9°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and a... | JVASP-14939 | 4.12 4.12 4.12
90 90 90
Ti 0.500 0.000 0.500
Ti 0.000 0.500 0.500
Ti 0.500 0.500 0.000
Hg 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: La2DyHo.
The XRD pattern shows main peaks at: 31.1°(1.0), 44.6°(0.18), 55.4°(0.36), 64.9°(0.12), 73.7°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-157184 | 5.75 5.75 5.75
60 60 60
La 0.000 0.000 0.000
La 0.500 0.500 0.500
Dy 0.250 0.250 0.250
Ho 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: Ba4InRh.
The XRD pattern shows main peaks at: 15.8°(0.11), 26.0°(0.2), 30.5°(1.0), 31.9°(0.47), 37.0°(0.08), 45.8°(0.09), 48.7°(0.36), 53.4°(0.33), 62.7°(0.12), 63.6°(0.18), 75.2°(0.21), 86.9°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-66672 | 6.87 6.87 6.87
60 60 60
Ba 0.123 0.626 0.626
Ba 0.626 0.626 0.626
Ba 0.626 0.123 0.626
Ba 0.626 0.626 0.123
In 0.250 0.250 0.250
Rh 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Mg4As6Rh7.
The XRD pattern shows main peaks at: 15.4°(0.05), 21.8°(0.62), 38.2°(1.0), 41.4°(0.45), 44.4°(0.7), 47.3°(0.07), 52.6°(0.31), 64.6°(0.32), 77.6°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-23776 | 7.06 7.06 7.06
109 109 109
Mg 0.500 0.500 0.500
Mg 0.500 0.000 -0.000
Mg -0.000 0.500 0.000
Mg 0.000 0.000 0.500
As -0.000 0.313 0.313
As 0.313 0.000 0.313
As 0.000 0.687 0.687
As 0.687 0.687 -0.000
As 0.313 0.313 0.000
As 0.687 0.000 0.687
Rh 0.500 0.750 0.250
Rh 0.000 0.000 0.000
Rh 0.500 0.250 0.750
Rh 0.750 0.250 0... |
Below is a description of a material. | The chemical formula is: Ca2CoH6.
The XRD pattern shows main peaks at: 22.1°(0.44), 36.4°(1.0), 43.0°(0.22), 52.4°(0.17), 57.5°(0.08), 65.5°(0.31), 70.0°(0.06), 77.3°(0.1), 81.6°(0.06), 88.6°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-157789 | 4.94 4.94 4.94
60 60 60
Ca 0.250 0.250 0.250
Ca 0.750 0.750 0.750
Co 0.000 0.000 0.000
H 0.770 0.230 0.230
H 0.230 0.770 0.230
H 0.770 0.770 0.230
H 0.770 0.230 0.770
H 0.230 0.770 0.770
H 0.230 0.230 0.770 |
Below is a description of a material. | The chemical formula is: Ba2InCl.
The XRD pattern shows main peaks at: 18.3°(0.08), 21.1°(0.07), 30.1°(1.0), 43.1°(0.17), 53.4°(0.39), 62.5°(0.12), 70.9°(0.16), 86.7°(0.2).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-179106 | 5.94 5.94 5.94
60 60 60
Ba 0.250 0.250 0.250
Ba 0.750 0.750 0.750
In 0.500 0.500 0.500
Cl 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: CeS2.
The XRD pattern shows main peaks at: 23.6°(0.24), 24.7°(1.0), 30.7°(0.41), 33.0°(0.14), 39.1°(0.66), 42.2°(0.48), 44.0°(0.34), 48.4°(0.06), 50.6°(0.14), 51.1°(0.3), 62.6°(0.28), 64.0°(0.11), 66.1°(0.14), 67.5°(0.09), 69.7°(0.06), 72.7°(0.08), 77.7°(0.19), 79.7°(0.07), 82.9°(0.15), 86.2°(0... | JVASP-35839 | 4.11 4.11 7.53
90 90 90
Ce 0.500 0.000 0.743
Ce 0.000 0.500 0.257
S 0.500 0.000 0.366
S 0.000 0.500 0.634
S 0.500 0.500 0.000
S 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: MnBePd.
The XRD pattern shows main peaks at: 14.9°(0.75), 30.1°(0.3), 39.8°(0.27), 42.7°(1.0), 45.8°(0.2), 50.7°(0.53), 62.3°(0.16), 72.3°(0.16), 76.7°(0.19), 80.2°(0.1), 87.8°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-65275 | 2.61 2.61 5.94
90 90 120
Mn 0.667 0.333 0.313
Be 0.000 0.000 0.004
Pd 0.333 0.667 0.683 |
Below is a description of a material. | The chemical formula is: BeFeTc2.
The XRD pattern shows main peaks at: 13.8°(0.25), 27.9°(0.08), 33.1°(0.05), 36.0°(0.59), 42.4°(0.18), 43.8°(1.0), 47.5°(0.44), 57.6°(0.05), 65.5°(0.19), 69.4°(0.14), 77.8°(0.09), 80.7°(0.1), 83.6°(0.12), 84.8°(0.09), 85.8°(0.25).
Generate atomic structure description with lattice lengt... | JVASP-71117 | 2.71 2.71 6.40
90 90 90
Be 0.000 0.000 0.531
Fe 0.500 0.500 0.716
Tc 0.000 0.000 0.968
Tc 0.500 0.500 0.284 |
Below is a description of a material. | The chemical formula is: K3YF6.
The XRD pattern shows main peaks at: 16.7°(0.49), 17.4°(0.24), 19.5°(0.4), 27.0°(0.39), 27.7°(0.84), 28.2°(1.0), 32.1°(0.11), 32.8°(0.18), 33.5°(0.14), 36.2°(0.09), 39.5°(0.54), 40.2°(0.29), 43.6°(0.11), 44.3°(0.12), 44.7°(0.12), 48.1°(0.19), 49.4°(0.37), 50.4°(0.22), 57.1°(0.13), 65.3°(... | JVASP-21866 | 6.31 6.60 10.84
90 124 90
K 0.724 0.943 0.244
K 0.276 0.443 0.256
K 0.276 0.057 0.756
K 0.724 0.557 0.744
K 0.500 0.000 0.500
K 0.500 0.500 0.000
Y 0.000 0.500 0.500
Y 0.000 0.000 0.000
F 0.668 0.822 0.948
F 0.332 0.322 0.552
F 0.245 0.770 0.575
F 0.755 0.270 0.925
F 0.755 0.230 0.425
F 0.104 0.438 0.726
F 0.896 0.562 ... |
Below is a description of a material. | The chemical formula is: CeZrO4.
The XRD pattern shows main peaks at: 29.0°(1.0), 33.4°(0.18), 33.9°(0.08), 48.0°(0.18), 48.4°(0.35), 57.1°(0.26), 57.7°(0.14), 60.1°(0.08), 77.7°(0.06), 78.3°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-35137 | 5.28 5.36 5.36
90 90 90
Ce 0.000 0.000 0.000
Ce 0.000 0.500 0.500
Zr 0.500 0.000 0.500
Zr 0.500 0.500 0.000
O 0.744 0.786 0.714
O 0.744 0.286 0.786
O 0.744 0.214 0.286
O 0.744 0.714 0.214
O 0.256 0.214 0.714
O 0.256 0.714 0.786
O 0.256 0.786 0.286
O 0.256 0.286 0.214 |
Below is a description of a material. | The chemical formula is: AsNF.
The XRD pattern shows main peaks at: 11.2°(1.0), 21.6°(0.85), 22.6°(0.06), 24.4°(0.65), 30.8°(0.36), 31.5°(0.11), 32.9°(0.32), 38.5°(0.07), 40.8°(0.12), 44.1°(0.12), 45.7°(0.12), 46.6°(0.07), 49.6°(0.16), 51.1°(0.17), 51.5°(0.14), 56.5°(0.1), 61.6°(0.07), 65.7°(0.06), 70.1°(0.1), 80.3°(0.... | JVASP-115407 | 4.11 4.11 7.87
90 90 90
As 0.000 0.000 -0.003
N 0.000 0.000 0.786
F 0.000 0.000 0.238 |
Below is a description of a material. | The chemical formula is: TbFe3.
The XRD pattern shows main peaks at: 20.6°(0.13), 22.0°(0.05), 33.0°(0.51), 35.5°(0.56), 36.1°(0.36), 41.4°(0.39), 42.2°(1.0), 44.0°(0.09), 45.0°(0.11), 45.5°(0.11), 46.2°(0.12), 57.3°(0.08), 62.2°(0.17), 64.1°(0.12), 65.9°(0.09), 68.4°(0.2), 75.2°(0.19).
Generate atomic structure descri... | JVASP-9129 | 8.58 8.58 8.58
34 34 34
Tb 0.000 0.000 0.000
Tb 0.142 0.142 0.142
Tb 0.858 0.858 0.858
Fe 0.500 0.500 0.500
Fe 0.333 0.333 0.333
Fe 0.667 0.667 0.667
Fe 0.581 0.081 0.581
Fe 0.581 0.581 0.081
Fe 0.081 0.581 0.581
Fe 0.919 0.419 0.419
Fe 0.419 0.919 0.419
Fe 0.419 0.419 0.919 |
Below is a description of a material. | The chemical formula is: Mg2BeFe.
The XRD pattern shows main peaks at: 12.8°(1.0), 25.7°(0.15), 30.5°(0.31), 33.2°(0.52), 39.0°(0.24), 40.4°(0.88), 43.7°(0.54), 45.8°(0.13), 50.4°(0.28), 51.4°(0.08), 60.1°(0.23), 63.6°(0.18), 71.0°(0.05), 73.7°(0.08), 76.0°(0.12), 77.2°(0.12), 78.1°(0.21), 84.1°(0.07), 85.2°(0.11).
Gen... | JVASP-71013 | 2.93 2.93 6.92
90 90 90
Mg 0.000 0.000 0.942
Mg 0.500 0.500 0.300
Be 0.000 0.000 0.574
Fe 0.500 0.500 0.684 |
Below is a description of a material. | The chemical formula is: Y2AlCu.
The XRD pattern shows main peaks at: 12.0°(0.14), 24.2°(0.06), 25.7°(0.11), 35.6°(1.0), 36.7°(0.47), 49.5°(0.09), 52.9°(0.15), 63.2°(0.17), 65.4°(0.31), 75.4°(0.07), 88.8°(0.06), 89.5°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-188543 | 3.46 3.46 8.14
64 90 90
Y 0.000 0.014 0.986
Y 0.000 0.486 0.514
Al 0.500 0.250 0.250
Cu 0.500 0.750 0.750 |
Below is a description of a material. | The chemical formula is: Nd3MnBi5.
The XRD pattern shows main peaks at: 27.4°(0.12), 28.2°(0.23), 29.5°(0.14), 31.5°(0.95), 32.1°(0.74), 33.2°(1.0), 46.9°(0.33), 49.6°(0.18), 50.0°(0.12), 51.1°(0.26), 52.0°(0.15), 56.6°(0.11), 58.0°(0.09), 62.5°(0.1), 66.6°(0.19).
Generate atomic structure description with lattice leng... | JVASP-86249 | 9.65 9.65 6.50
90 90 120
Nd 0.000 0.381 0.750
Nd 0.619 0.000 0.250
Nd 0.619 0.619 0.750
Nd -0.000 0.619 0.250
Nd 0.381 0.381 0.250
Nd 0.381 -0.000 0.750
Mn 0.000 0.000 0.000
Mn 0.000 0.000 0.500
Bi -0.000 0.253 0.250
Bi 0.747 0.747 0.250
Bi 0.000 0.747 0.750
Bi 0.747 -0.000 0.750
Bi 0.667 0.333 0.000
Bi 0.333 0.667 0.5... |
Below is a description of a material. | The chemical formula is: LuTe.
The XRD pattern shows main peaks at: 25.7°(0.38), 34.3°(1.0), 45.3°(0.3), 53.0°(0.11), 58.0°(0.23), 66.2°(0.19), 76.5°(0.2), 76.9°(0.1), 83.6°(0.05), 89.5°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-105805 | 4.01 4.01 3.98
90 90 120
Lu 0.333 0.667 0.500
Te 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: LiPm3.
The XRD pattern shows main peaks at: 7.8°(0.64), 15.6°(0.17), 23.5°(0.12), 30.1°(1.0), 31.6°(0.3), 33.1°(0.79), 37.7°(0.49), 50.0°(0.24), 51.4°(0.25), 60.7°(0.12), 61.6°(0.29), 62.5°(0.11), 65.5°(0.1), 74.5°(0.08), 83.6°(0.1), 85.2°(0.1), 87.8°(0.09).
Generate atomic structure descriptio... | JVASP-129417 | 3.55 3.55 11.34
90 90 120
Li 0.000 0.000 0.000
Pm 0.667 0.333 0.758
Pm 0.000 0.000 0.500
Pm 0.333 0.667 0.242 |
Below is a description of a material. | The chemical formula is: Ta3Pt.
The XRD pattern shows main peaks at: 39.1°(1.0), 56.4°(0.17), 70.8°(0.36), 83.9°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-105864 | 4.61 4.61 4.61
60 60 60
Ta 0.250 0.250 0.250
Ta 0.750 0.750 0.750
Ta 0.500 0.500 0.500
Pt 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Tl3Br.
The XRD pattern shows main peaks at: 20.3°(0.08), 31.0°(1.0), 31.6°(0.24), 38.0°(0.3), 50.2°(0.27), 54.8°(0.1), 55.9°(0.2), 64.3°(0.24), 78.8°(0.07), 82.1°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-37403 | 6.58 6.58 6.58
137 137 61
Tl 0.750 0.250 0.500
Tl 0.250 0.750 0.500
Tl 0.500 0.500 0.000
Br 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: RbBi2Br7.
The XRD pattern shows main peaks at: 9.8°(0.24), 14.8°(0.63), 17.9°(0.43), 18.5°(0.2), 19.6°(0.18), 21.7°(0.26), 23.0°(0.14), 23.6°(0.25), 24.4°(0.11), 25.7°(0.28), 28.8°(0.36), 29.4°(1.0), 30.6°(0.19), 36.9°(0.13), 37.8°(0.3), 38.3°(0.51), 38.7°(0.73), 44.9°(0.38), 45.8°(0.34), 58.0°... | JVASP-133164 | 7.46 9.57 10.53
75 84 76
Rb 0.393 0.860 0.304
Rb 0.607 0.140 0.696
Bi 0.872 0.642 0.623
Bi 0.128 0.358 0.377
Bi 0.310 0.708 0.934
Bi 0.690 0.292 0.066
Br 0.726 0.007 0.056
Br 0.274 0.993 0.944
Br 0.112 0.659 0.175
Br 0.888 0.341 0.825
Br 0.254 0.511 0.553
Br 0.746 0.489 0.447
Br 0.049 0.203 0.199
Br 0.492 0.781 0.660
B... |
Below is a description of a material. | The chemical formula is: VOF2.
The XRD pattern shows main peaks at: 20.2°(0.83), 25.7°(1.0), 33.4°(0.27), 38.9°(0.05), 39.9°(0.05), 41.0°(0.06), 44.5°(0.64), 45.1°(0.28), 48.3°(0.22), 52.8°(0.1), 58.5°(0.19), 59.9°(0.1), 62.1°(0.08), 63.3°(0.08), 66.3°(0.08), 67.8°(0.24), 83.4°(0.05), 86.1°(0.06).
Generate atomic struc... | JVASP-30263 | 3.77 5.00 2.82
73 89 67
V 0.051 0.993 0.997
O 0.486 0.993 0.997
F 0.827 0.297 0.345
F 0.130 0.690 0.649 |
Below is a description of a material. | The chemical formula is: UReSi2Ru.
The XRD pattern shows main peaks at: 23.1°(0.45), 35.6°(1.0), 37.7°(0.17), 43.0°(0.37), 52.6°(0.09), 56.9°(0.15), 58.5°(0.2), 62.5°(0.12), 66.7°(0.16), 74.0°(0.25), 75.3°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-110968 | 5.62 5.62 5.62
136 136 63
U 0.000 0.000 0.000
Re 0.250 0.750 0.500
Si 0.626 0.626 -0.000
Si 0.374 0.374 -0.000
Ru 0.750 0.250 0.500 |
Below is a description of a material. | The chemical formula is: Ti2CoOs.
The XRD pattern shows main peaks at: 25.4°(0.34), 29.4°(0.27), 42.1°(1.0), 49.8°(0.18), 52.2°(0.07), 61.0°(0.17), 76.9°(0.33).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-177385 | 4.30 4.30 4.30
60 60 60
Ti -0.000 0.000 0.000
Ti 0.500 0.500 0.500
Co 0.250 0.250 0.250
Os 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: LiYF4.
The XRD pattern shows main peaks at: 19.0°(1.0), 29.5°(0.75), 30.3°(0.13), 33.3°(0.05), 39.8°(0.33), 41.6°(0.11), 45.6°(0.16), 46.7°(0.24), 48.8°(0.3), 49.9°(0.15), 57.1°(0.13), 59.0°(0.26), 59.5°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and a... | JVASP-164255 | 5.17 5.17 6.51
113 113 89
Li 0.375 0.125 0.750
Li 0.625 0.875 0.250
Y 0.125 0.375 0.250
Y 0.875 0.625 0.750
F 0.458 0.764 0.588
F 0.264 0.630 0.088
F 0.870 0.676 0.412
F 0.824 0.958 0.088
F 0.542 0.236 0.412
F 0.130 0.324 0.588
F 0.176 0.042 0.912
F 0.736 0.370 0.912 |
Below is a description of a material. | The chemical formula is: BaSiO3.
The XRD pattern shows main peaks at: 17.2°(0.13), 21.2°(0.11), 24.0°(0.37), 24.9°(0.17), 25.9°(1.0), 26.6°(0.59), 28.5°(0.34), 31.7°(0.2), 33.0°(0.18), 38.1°(0.19), 39.0°(0.25), 40.1°(0.23), 43.4°(0.25), 44.2°(0.33), 47.9°(0.18), 49.1°(0.14), 50.7°(0.08), 52.5°(0.1), 60.9°(0.11), 73.8°(... | JVASP-98938 | 4.61 5.64 12.51
90 90 90
Ba 0.772 0.187 0.358
Ba 0.228 0.687 0.142
Ba 0.728 0.813 0.858
Ba 0.272 0.313 0.642
Si 0.326 0.700 0.426
Si 0.826 0.800 0.574
Si 0.674 0.200 0.074
Si 0.174 0.300 0.926
O 0.818 0.281 0.956
O 0.318 0.219 0.044
O 0.240 0.577 0.904
O 0.258 0.888 0.333
O 0.758 0.612 0.667
O 0.742 0.388 0.167
O 0.242... |
Below is a description of a material. | The chemical formula is: NaPdPb.
The XRD pattern shows main peaks at: 21.0°(0.91), 27.9°(0.52), 35.2°(0.83), 36.8°(1.0), 42.8°(0.16), 46.8°(0.82), 51.8°(0.26), 57.6°(0.1), 62.0°(0.11), 65.3°(0.29), 66.4°(0.19), 70.3°(0.31), 73.4°(0.2), 78.4°(0.12), 85.1°(0.16).
Generate atomic structure description with lattice lengths... | JVASP-180985 | 4.88 4.88 3.20
90 90 120
Na 0.000 0.000 0.000
Pd 0.667 0.333 0.500
Pb 0.333 0.667 0.500 |
Below is a description of a material. | The chemical formula is: Li2PrO3.
The XRD pattern shows main peaks at: 18.3°(0.75), 21.2°(1.0), 24.3°(0.22), 30.5°(0.6), 32.4°(0.42), 33.8°(0.16), 37.1°(0.09), 38.8°(0.22), 42.0°(0.38), 43.2°(0.17), 44.8°(0.25), 46.3°(0.09), 49.7°(0.1), 50.1°(0.28), 51.0°(0.09), 53.4°(0.09), 54.6°(0.16), 57.2°(0.11), 60.7°(0.2), 67.9°(... | JVASP-15578 | 3.67 4.64 5.38
115 90 90
Li 0.500 0.653 0.307
Li 0.500 0.347 0.693
Pr 0.000 0.000 0.000
O 0.000 0.500 0.000
O 0.500 0.846 0.691
O 0.500 0.154 0.309 |
Below is a description of a material. | The chemical formula is: MnPtF6.
The XRD pattern shows main peaks at: 18.7°(0.17), 21.2°(0.41), 23.8°(1.0), 32.4°(0.41), 35.5°(0.2), 37.7°(0.09), 40.4°(0.23), 43.2°(0.18), 48.8°(0.17), 53.0°(0.31), 55.9°(0.09), 57.1°(0.18), 61.8°(0.08), 63.7°(0.12).
Generate atomic structure description with lattice lengths, angles, co... | JVASP-91855 | 5.56 5.56 5.56
54 54 54
Mn 0.000 0.000 0.000
Pt 0.500 0.500 0.500
F 0.892 0.601 0.255
F 0.601 0.255 0.892
F 0.745 0.108 0.399
F 0.399 0.745 0.108
F 0.108 0.399 0.745
F 0.255 0.892 0.601 |
Below is a description of a material. | The chemical formula is: YTmRu2.
The XRD pattern shows main peaks at: 22.8°(0.06), 37.7°(1.0), 54.4°(0.17), 68.1°(0.35), 80.6°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-109089 | 4.77 4.77 4.77
60 60 60
Y 0.000 0.000 0.000
Tm 0.500 0.500 0.500
Ru 0.250 0.250 0.250
Ru 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: Ba2UCuO6.
The XRD pattern shows main peaks at: 16.4°(0.46), 22.2°(0.71), 24.4°(1.0), 33.2°(0.66), 34.8°(0.51), 41.7°(0.49), 45.4°(0.13), 50.0°(0.18), 52.2°(0.25), 55.3°(0.2), 56.4°(0.21), 58.4°(0.23), 61.3°(0.26).
Generate atomic structure description with lattice lengths, angles, coordinates a... | JVASP-5119 | 7.30 7.30 6.53
124 124 89
Ba 0.500 0.000 -0.000
Ba 1.000 0.500 -0.000
U 0.000 -0.000 0.000
Cu 0.500 0.500 -0.000
O 0.197 0.197 0.000
O 0.197 0.803 -0.000
O 0.719 0.719 0.439
O 0.803 0.803 -0.000
O 0.281 0.281 0.561
O 0.803 0.197 0.000 |
Below is a description of a material. | The chemical formula is: RbMnF.
The XRD pattern shows main peaks at: 11.3°(0.08), 22.7°(0.38), 25.9°(1.0), 34.7°(0.51), 36.9°(0.42), 43.8°(0.25), 46.4°(0.05), 51.3°(0.11), 53.2°(0.12), 53.9°(0.13), 58.5°(0.1), 60.0°(0.17), 60.7°(0.09), 65.0°(0.16), 71.0°(0.07), 73.2°(0.05), 79.1°(0.08), 89.2°(0.05).
Generate atomic str... | JVASP-134798 | 3.45 3.45 7.83
90 90 90
Rb 0.000 0.000 0.032
Mn 0.000 0.000 0.591
F 0.000 0.000 0.347 |
Below is a description of a material. | The chemical formula is: Er3Ni.
The XRD pattern shows main peaks at: 29.7°(0.87), 30.3°(0.24), 34.6°(1.0), 49.3°(0.36), 50.2°(0.3), 58.6°(0.13), 59.0°(0.24), 59.8°(0.1), 61.6°(0.18), 73.0°(0.1), 80.0°(0.1), 82.7°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-123226 | 3.70 3.70 8.84
90 90 120
Er 0.333 0.667 0.180
Er 0.000 0.000 0.500
Er 0.667 0.333 0.820
Ni 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Ce2TeO2.
The XRD pattern shows main peaks at: 30.6°(1.0), 31.3°(0.39), 42.8°(0.07), 44.9°(0.21), 54.0°(0.2), 55.3°(0.37), 63.7°(0.09), 65.4°(0.06), 70.8°(0.07), 73.9°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-15465 | 4.04 4.04 6.96
106 106 90
Ce 0.655 0.655 0.310
Ce 0.345 0.345 0.690
Te 0.000 0.000 0.000
O 0.250 0.750 0.500
O 0.750 0.250 0.500 |
Below is a description of a material. | The chemical formula is: CoCu2SnSe4.
The XRD pattern shows main peaks at: 27.2°(1.0), 36.0°(0.07), 44.8°(0.26), 45.2°(0.49), 53.2°(0.28), 54.0°(0.14), 65.2°(0.07), 72.0°(0.05), 72.7°(0.1), 82.9°(0.14), 83.9°(0.05), 88.9°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom typ... | JVASP-91863 | 5.72 5.72 6.92
114 114 90
Co 0.000 0.000 0.000
Cu 0.750 0.250 0.500
Cu 0.250 0.750 0.500
Sn 0.500 0.500 0.000
Se 0.906 0.906 0.264
Se 0.358 0.358 0.264
Se 0.094 0.642 0.736
Se 0.642 0.094 0.736 |
Below is a description of a material. | The chemical formula is: Yb2AgIr.
The XRD pattern shows main peaks at: 37.0°(1.0), 53.4°(0.18), 66.7°(0.34), 78.9°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-41691 | 4.85 4.85 4.85
60 60 60
Yb 0.500 0.500 0.500
Yb 0.000 0.000 0.000
Ag 0.250 0.250 0.250
Ir 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: PmGaAu2.
The XRD pattern shows main peaks at: 25.5°(0.1), 36.4°(1.0), 52.4°(0.18), 65.5°(0.34), 77.3°(0.11), 88.5°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-42125 | 4.94 4.94 4.94
60 60 60
Pm 0.750 0.750 0.750
Ga 0.250 0.250 0.250
Au 0.500 0.500 0.500
Au 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Ce5Dy2O13.
The XRD pattern shows main peaks at: 28.5°(1.0), 32.9°(0.44), 47.6°(0.39), 56.4°(0.15), 59.1°(0.07), 76.9°(0.13), 79.2°(0.06), 88.7°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-164713 | 3.82 3.82 22.38
94 90 120
Ce 0.428 0.855 0.283
Ce 0.142 0.284 0.426
Ce 0.856 0.713 0.569
Ce 0.571 0.142 0.713
Ce 0.285 0.571 0.856
Dy 0.999 0.999 0.998
Dy 0.716 0.432 0.148
O 0.393 0.785 0.178
O 0.031 0.062 0.093
O 0.107 0.214 0.321
O 0.750 0.500 0.250
O 0.464 0.928 0.393
O 0.179 0.357 0.536
O 0.822 0.643 0.465
O 0.536... |
Below is a description of a material. | The chemical formula is: Ba2CoReO6.
The XRD pattern shows main peaks at: 19.0°(0.15), 31.4°(1.0), 36.9°(0.08), 44.9°(0.31), 55.8°(0.44), 65.4°(0.2), 74.3°(0.18), 82.9°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-151380 | 5.71 5.71 5.71
60 60 60
Ba 0.750 0.750 0.750
Ba 0.250 0.250 0.250
Co 0.000 0.000 0.000
Re 0.500 0.500 0.500
O 0.258 0.258 0.742
O 0.742 0.742 0.258
O 0.258 0.742 0.258
O 0.742 0.258 0.742
O 0.258 0.742 0.742
O 0.742 0.258 0.258 |
Below is a description of a material. | The chemical formula is: Ba4MoSe.
The XRD pattern shows main peaks at: 15.6°(0.2), 25.6°(0.16), 30.1°(1.0), 31.5°(0.54), 36.5°(0.12), 39.9°(0.06), 45.1°(0.07), 48.0°(0.35), 52.6°(0.34), 61.8°(0.13), 62.6°(0.22), 74.0°(0.21), 77.6°(0.05), 85.4°(0.07).
Generate atomic structure description with lattice lengths, angles, c... | JVASP-64391 | 6.96 6.96 6.96
60 60 60
Ba 0.124 0.625 0.625
Ba 0.625 0.625 0.625
Ba 0.625 0.124 0.625
Ba 0.625 0.625 0.124
Mo 0.250 0.250 0.250
Se 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: NaAlSeO.
The XRD pattern shows main peaks at: 19.9°(1.0), 23.3°(0.31), 24.4°(0.45), 26.4°(0.65), 29.1°(0.15), 30.8°(0.39), 31.6°(0.61), 34.0°(0.68), 37.7°(0.3), 39.7°(0.37), 40.4°(0.28), 41.7°(0.15), 44.2°(0.31), 47.2°(0.48), 47.7°(0.28), 52.2°(0.16), 55.4°(0.25), 55.9°(0.19), 58.4°(0.32), 71.1... | JVASP-159878 | 3.81 7.29 5.66
89 90 90
Na 0.000 0.283 0.120
Na 0.000 0.717 0.620
Al 0.500 0.889 0.029
Al 0.500 0.111 0.529
Se 0.000 0.698 0.126
Se 0.000 0.302 0.626
O 0.500 0.083 0.216
O 0.500 0.917 0.716 |
Below is a description of a material. | The chemical formula is: CdN2Cl2.
The XRD pattern shows main peaks at: 16.3°(1.0), 21.7°(0.6), 23.8°(0.09), 29.0°(0.44), 34.4°(0.63), 35.0°(0.24), 38.7°(0.1), 41.0°(0.46), 42.8°(0.27), 44.2°(0.11), 45.9°(0.16), 48.7°(0.11), 50.2°(0.13), 51.7°(0.1), 53.9°(0.1), 55.2°(0.09), 56.3°(0.12), 57.1°(0.21), 61.4°(0.09), 72.5°(0... | JVASP-92704 | 3.74 5.49 5.49
96 90 90
Cd 0.000 0.000 0.000
N 0.000 0.303 0.697
N 0.000 0.697 0.303
Cl 0.500 0.756 0.756
Cl 0.500 0.244 0.244 |
Below is a description of a material. | The chemical formula is: TaAsRh2.
The XRD pattern shows main peaks at: 24.5°(0.06), 28.4°(0.06), 40.6°(1.0), 58.8°(0.17), 73.9°(0.34), 87.9°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-75769 | 4.44 4.44 4.44
60 60 60
Ta 0.750 0.750 0.750
As 0.500 0.500 0.500
Rh 0.000 0.000 0.000
Rh 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: Ho8Bi.
The XRD pattern shows main peaks at: 3.6°(0.08), 29.4°(0.37), 30.0°(0.12), 32.6°(1.0), 34.4°(0.86), 51.6°(0.38), 62.4°(0.16), 63.5°(0.16), 85.2°(0.14), 86.2°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-125287 | 3.54 3.54 24.85
90 90 119
Ho 0.000 0.000 0.218
Ho 0.667 0.333 0.107
Ho 0.667 0.333 0.331
Ho 0.667 0.333 0.556
Ho 0.333 0.667 0.444
Ho 0.333 0.667 0.669
Ho 0.333 0.667 0.893
Ho 0.000 0.000 0.782
Bi 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: ScGaNi.
The XRD pattern shows main peaks at: 23.2°(0.08), 40.2°(1.0), 40.7°(0.9), 58.6°(0.33), 67.9°(0.06), 73.8°(0.31), 82.3°(0.22), 88.3°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-184043 | 4.43 4.43 2.76
90 90 120
Sc 0.667 0.333 0.500
Ga -0.000 -0.000 -0.000
Ni 0.333 0.667 0.500 |
Below is a description of a material. | The chemical formula is: BeFePd.
The XRD pattern shows main peaks at: 18.5°(0.36), 34.7°(0.74), 37.5°(0.24), 44.1°(1.0), 47.9°(0.39), 51.8°(0.1), 57.7°(0.08), 62.4°(0.21), 70.1°(0.12), 78.4°(0.18), 80.7°(0.12), 82.4°(0.1), 86.7°(0.27).
Generate atomic structure description with lattice lengths, angles, coordinates and ... | JVASP-65175 | 5.15 5.15 5.15
149 149 43
Be 0.001 0.001 0.000
Fe 0.649 0.649 -0.000
Pd 0.350 0.350 -0.000 |
Below is a description of a material. | The chemical formula is: NbTeO.
The XRD pattern shows main peaks at: 13.8°(0.59), 26.7°(0.55), 27.9°(0.53), 29.9°(0.93), 33.3°(1.0), 40.5°(0.37), 41.3°(0.38), 42.3°(0.21), 45.4°(0.93), 52.7°(0.24), 56.9°(0.17), 60.9°(0.1), 62.0°(0.29), 65.6°(0.22), 69.3°(0.2), 72.3°(0.22), 78.0°(0.19), 79.6°(0.12), 86.0°(0.08), 89.2°(0... | JVASP-135619 | 3.46 6.63 2.99
90 90 74
Nb -0.618 -0.153 0.000
Te 0.069 0.472 0.000
O 0.813 -0.013 0.000 |
Below is a description of a material. | The chemical formula is: CeH.
The XRD pattern shows main peaks at: 30.8°(1.0), 35.7°(0.5), 51.4°(0.35), 61.2°(0.44), 64.2°(0.13), 75.7°(0.06), 84.0°(0.17), 86.7°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-159920 | 3.55 3.55 3.55
60 60 60
Ce 0.000 0.000 0.000
H 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Mg4FeO5.
The XRD pattern shows main peaks at: 7.2°(1.0), 14.4°(0.22), 34.8°(0.1), 36.1°(0.1), 36.8°(0.45), 38.8°(0.09), 62.2°(0.78), 74.5°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-137290 | 2.98 2.98 24.73
86 86 60
Mg 0.300 0.300 0.101
Mg 0.800 0.800 0.601
Mg 0.200 0.200 0.399
Mg 0.700 0.700 0.899
Mg 0.600 0.600 0.200
Mg 0.100 0.100 0.700
Mg 0.900 0.900 0.300
Mg 0.400 0.400 0.800
Fe -0.000 0.000 0.000
Fe 0.500 0.500 0.500
O 0.950 0.950 0.151
O 0.250 0.250 0.250
O 0.750 0.750 0.750
O 0.851 0.851 0.447
O 0.... |
Below is a description of a material. | The chemical formula is: TmPb3.
The XRD pattern shows main peaks at: 32.0°(1.0), 37.1°(0.52), 53.4°(0.33), 63.6°(0.4), 66.8°(0.12), 79.0°(0.06), 87.7°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-7919 | 4.85 4.85 4.85
90 90 90
Tm 0.000 0.000 0.000
Pb 0.500 0.500 0.000
Pb 0.500 0.000 0.500
Pb 0.000 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Ca2SiO4.
The XRD pattern shows main peaks at: 32.0°(1.0), 39.5°(0.2), 41.8°(0.06), 44.2°(0.11), 46.0°(0.44), 57.1°(0.25), 57.5°(0.1), 66.9°(0.2), 67.4°(0.13), 76.5°(0.1), 85.0°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-35127 | 5.59 5.59 6.79
90 90 120
Ca 0.333 0.667 0.651
Ca 0.667 0.333 0.349
Ca 0.000 0.000 0.500
Ca 0.000 0.000 0.000
Si 0.333 0.667 0.196
Si 0.667 0.333 0.804
O 0.333 0.667 0.960
O 0.667 0.333 0.040
O 0.177 0.823 0.293
O 0.177 0.354 0.293
O 0.646 0.823 0.293
O 0.823 0.177 0.707
O 0.823 0.646 0.707
O 0.354 0.177 0.707 |
Below is a description of a material. | The chemical formula is: AsPdS.
The XRD pattern shows main peaks at: 20.8°(0.12), 25.6°(0.41), 29.6°(0.97), 33.2°(0.54), 36.5°(0.38), 42.4°(0.53), 50.1°(1.0), 52.5°(0.21), 54.9°(0.18), 57.1°(0.22), 67.7°(0.17), 69.7°(0.17), 71.7°(0.1), 77.5°(0.16), 83.2°(0.41), 86.9°(0.1), 88.8°(0.05).
Generate atomic structure descrip... | JVASP-63725 | 6.03 6.03 6.03
89 89 89
As 0.613 0.613 0.613
As 0.887 0.387 0.113
As 0.387 0.113 0.887
As 0.113 0.887 0.387
Pd 0.999 0.999 0.999
Pd 0.501 0.001 0.499
Pd 0.001 0.499 0.501
Pd 0.499 0.501 0.001
S 0.393 0.393 0.393
S 0.107 0.607 0.893
S 0.607 0.893 0.107
S 0.893 0.107 0.607 |
Below is a description of a material. | The chemical formula is: Ho5Si3.
The XRD pattern shows main peaks at: 21.2°(0.07), 24.5°(0.21), 25.5°(0.29), 30.9°(0.3), 32.6°(0.31), 35.6°(1.0), 37.1°(0.22), 52.4°(0.18), 54.0°(0.09), 55.0°(0.16), 57.2°(0.09), 58.2°(0.13), 58.6°(0.23), 68.7°(0.07), 71.4°(0.09), 87.2°(0.09).
Generate atomic structure description with l... | JVASP-21867 | 8.39 8.39 6.30
90 90 120
Ho 0.000 0.757 0.750
Ho -0.000 0.243 0.250
Ho 0.757 0.757 0.250
Ho 0.757 0.000 0.750
Ho 0.243 0.243 0.750
Ho 0.243 -0.000 0.250
Ho 0.333 0.667 0.500
Ho 0.667 0.333 0.000
Ho 0.667 0.333 0.500
Ho 0.333 0.667 0.000
Si 0.394 -0.000 0.750
Si 0.394 0.394 0.250
Si 0.000 0.606 0.250
Si -0.000 0.394 0.7... |
Below is a description of a material. | The chemical formula is: Li3MnF6.
The XRD pattern shows main peaks at: 18.1°(0.16), 20.9°(1.0), 27.6°(0.53), 28.2°(0.24), 40.8°(0.32), 41.2°(0.73), 43.1°(0.13), 46.2°(0.1), 52.1°(0.32), 53.1°(0.17), 53.9°(0.15), 56.6°(0.08), 60.4°(0.14), 65.2°(0.1), 66.1°(0.19), 68.3°(0.08).
Generate atomic structure description with l... | JVASP-110623 | 4.94 4.94 4.91
89 89 120
Li 0.321 0.679 0.500
Li 0.000 -0.000 0.500
Li 0.679 0.321 0.500
Mn 0.000 0.000 0.000
F 0.681 0.988 0.275
F 0.319 0.012 0.725
F 0.988 0.681 0.275
F 0.704 0.704 0.773
F 0.012 0.319 0.725
F 0.296 0.296 0.227 |
Below is a description of a material. | The chemical formula is: TbB12.
The XRD pattern shows main peaks at: 20.5°(0.99), 23.7°(0.76), 33.8°(0.43), 39.8°(1.0), 41.7°(0.31), 48.5°(0.12), 53.2°(0.35), 54.7°(0.25), 60.4°(0.25), 74.8°(0.1), 76.1°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-146749 | 5.31 5.31 5.31
60 60 60
Tb 0.000 0.000 0.000
B 0.500 0.500 0.838
B 0.162 0.500 0.838
B 0.500 0.162 0.838
B 0.162 0.838 0.500
B 0.500 0.838 0.500
B 0.500 0.838 0.162
B 0.838 0.162 0.500
B 0.838 0.500 0.162
B 0.838 0.500 0.500
B 0.500 0.500 0.162
B 0.500 0.162 0.500
B 0.162 0.500 0.500 |
Below is a description of a material. | The chemical formula is: YCd2.
The XRD pattern shows main peaks at: 25.7°(0.15), 33.3°(1.0), 36.5°(0.92), 45.2°(0.19), 50.3°(0.29), 52.8°(0.11), 63.7°(0.29), 65.9°(0.36), 77.6°(0.1), 87.1°(0.12), 89.1°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-78813 | 3.47 4.92 4.92
120 90 90
Y 0.000 0.000 0.000
Cd 0.500 0.333 0.667
Cd 0.500 0.667 0.333 |
Below is a description of a material. | The chemical formula is: SmTa.
The XRD pattern shows main peaks at: 35.0°(1.0), 50.4°(0.19), 62.8°(0.36), 74.0°(0.12), 84.6°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-128290 | 3.62 3.62 3.62
90 90 90
Sm 0.500 0.500 0.500
Ta 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Te2MoWSeS.
The XRD pattern shows main peaks at: 2.4°(1.0), 4.8°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-29079 | 3.40 3.40 36.56
90 90 120
Te 0.333 0.667 0.339
Te 0.667 0.333 0.036
Te 0.667 0.333 0.139
Te 0.333 0.667 0.237
Mo 0.333 0.667 0.088
Mo 0.667 0.333 0.288
W 0.333 0.667 0.477
W 0.667 0.333 0.650
Se 0.667 0.333 0.432
Se 0.667 0.333 0.523
S 0.333 0.667 0.691
S 0.333 0.667 0.609 |
Below is a description of a material. | The chemical formula is: Nd4Se3O4.
The XRD pattern shows main peaks at: 25.1°(0.53), 30.4°(1.0), 31.4°(0.57), 34.8°(0.29), 39.5°(0.11), 41.9°(0.14), 42.5°(0.1), 45.0°(0.22), 46.9°(0.23), 49.0°(0.1), 52.2°(0.14), 53.1°(0.2), 58.2°(0.14), 59.1°(0.16), 61.2°(0.07), 63.2°(0.09), 63.7°(0.06), 71.6°(0.06), 74.0°(0.08), 79.2°... | JVASP-151213 | 6.78 6.78 8.50
90 90 145
Nd 0.001 0.999 0.000
Nd 0.017 0.983 0.500
Nd 0.684 0.316 0.762
Nd 0.684 0.316 0.238
Se 0.356 0.644 0.650
Se 0.356 0.644 0.350
Se 0.313 0.687 0.000
O 0.088 0.912 0.756
O 0.088 0.912 0.244
O 0.589 0.411 0.000
O 0.616 0.384 0.500 |
Below is a description of a material. | The chemical formula is: CuO.
The XRD pattern shows main peaks at: 34.8°(0.15), 35.3°(1.0), 43.9°(0.1), 57.2°(0.26), 62.7°(0.13), 63.7°(0.12), 74.8°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-176665 | 2.92 2.92 5.16
90 90 89
Cu -0.000 0.500 0.500
Cu 0.500 -0.000 -0.000
O 0.499 0.501 0.250
O 0.501 0.499 0.750 |
Below is a description of a material. | The chemical formula is: NaNiO2.
The XRD pattern shows main peaks at: 17.0°(0.87), 34.4°(0.21), 34.9°(0.19), 39.1°(1.0), 43.8°(0.33), 49.8°(0.41), 62.6°(0.29), 73.4°(0.12), 76.3°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-110309 | 2.97 2.97 10.43
89 90 120
Na 0.667 0.334 0.250
Na 0.333 0.666 0.750
Ni -0.000 -0.000 0.500
Ni 0.000 -0.000 0.000
O 0.334 0.667 0.404
O 0.666 0.333 0.596
O 0.666 0.333 0.904
O 0.334 0.667 0.096 |
Below is a description of a material. | The chemical formula is: Li7Ge2.
The XRD pattern shows main peaks at: 19.3°(0.06), 22.5°(0.64), 23.2°(0.46), 23.6°(0.29), 24.1°(0.61), 27.9°(0.28), 29.9°(0.27), 33.9°(0.13), 40.5°(0.2), 41.2°(1.0), 44.3°(0.13), 45.4°(0.13), 46.8°(0.18), 47.4°(0.09), 50.5°(0.1), 51.1°(0.12), 59.2°(0.11), 60.1°(0.08), 62.5°(0.1), 74.1°(0... | JVASP-170828 | 4.46 8.02 8.02
109 90 90
Li 0.500 0.815 0.498
Li 0.500 0.185 0.502
Li 0.500 0.498 0.815
Li 0.500 0.502 0.185
Li -0.000 -0.000 0.000
Li 0.500 0.500 0.500
Li -0.000 0.341 0.341
Li 0.000 0.659 0.659
Li 0.500 0.170 0.830
Li 0.500 0.830 0.170
Li -0.000 0.343 0.022
Li 0.000 0.657 0.978
Li 0.000 0.022 0.343
Li -0.000 0.978 0.... |
Below is a description of a material. | The chemical formula is: Li2NbS3.
The XRD pattern shows main peaks at: 14.6°(0.71), 16.4°(0.22), 17.5°(0.19), 19.3°(0.14), 22.0°(0.18), 25.9°(0.06), 29.3°(0.23), 29.7°(0.14), 35.2°(1.0), 38.0°(0.1), 45.6°(0.14), 49.5°(0.26), 50.3°(0.13), 50.8°(0.11), 51.8°(0.22), 60.9°(0.07), 63.4°(0.12), 74.3°(0.07), 83.3°(0.07), 86.9... | JVASP-49920 | 6.19 6.19 6.44
80 99 58
Li 0.845 0.845 0.500
Li 0.155 0.155 0.500
Li 0.500 0.500 0.500
Li 0.000 0.000 0.000
Nb 0.320 0.320 0.000
Nb 0.680 0.680 -0.000
S 0.265 0.735 0.772
S 0.424 0.917 0.250
S 0.083 0.576 0.250
S 0.576 0.083 0.750
S 0.917 0.424 0.750
S 0.735 0.265 0.228 |
Below is a description of a material. | The chemical formula is: Sn7Pd.
The XRD pattern shows main peaks at: 23.8°(1.0), 39.3°(0.83), 46.5°(0.47), 56.8°(0.14), 62.4°(0.2), 71.3°(0.27), 76.3°(0.15), 84.5°(0.08), 89.4°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-122601 | 6.48 6.48 6.48
90 90 90
Sn 0.235 0.235 0.735
Sn 0.000 0.500 0.000
Sn 0.235 0.765 0.265
Sn 0.500 0.000 0.000
Sn 0.765 0.235 0.265
Sn 0.500 0.500 0.500
Sn 0.765 0.765 0.735
Pd 0.000 0.000 0.500 |
Below is a description of a material. | The chemical formula is: Pm2MgSi.
The XRD pattern shows main peaks at: 24.2°(0.59), 34.5°(1.0), 42.6°(0.17), 49.6°(0.17), 55.9°(0.24), 61.8°(0.36), 72.7°(0.12), 77.9°(0.12), 83.0°(0.16), 88.1°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-40937 | 5.20 5.20 5.20
60 60 60
Pm 0.000 0.000 0.000
Pm 0.500 0.500 0.500
Mg 0.250 0.250 0.250
Si 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: Al2FeO4.
The XRD pattern shows main peaks at: 30.9°(0.7), 36.4°(1.0), 44.2°(0.1), 54.9°(0.23), 58.5°(0.41), 64.3°(0.54).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-11608 | 5.79 5.79 5.79
59 59 60
Al 0.500 0.500 0.500
Al 0.500 0.500 -0.000
Al 0.500 -0.000 0.500
Al 0.000 0.500 0.500
Fe 0.875 0.875 0.875
Fe 0.125 0.125 0.125
O 0.735 0.735 0.735
O 0.265 0.265 0.705
O 0.265 0.705 0.265
O 0.705 0.265 0.265
O 0.735 0.295 0.735
O 0.295 0.735 0.735
O 0.265 0.265 0.265
O 0.735 0.735 0.295 |
Below is a description of a material. | The chemical formula is: SrMg.
The XRD pattern shows main peaks at: 5.3°(0.68), 10.6°(0.06), 21.4°(0.19), 25.4°(0.51), 26.8°(0.32), 27.6°(0.91), 30.2°(1.0), 33.4°(0.18), 37.3°(0.18), 44.8°(0.38), 50.1°(0.12), 52.9°(0.26), 53.4°(0.14), 54.9°(0.18), 72.2°(0.12), 73.5°(0.16).
Generate atomic structure description with lat... | JVASP-93388 | 4.05 4.05 16.64
90 90 120
Sr 0.667 0.333 0.711
Sr 0.000 0.000 0.500
Sr 0.667 0.333 0.289
Mg 0.667 0.333 0.000
Mg 0.000 0.000 0.876
Mg 0.000 0.000 0.124 |
Below is a description of a material. | The chemical formula is: Ba4SiW.
The XRD pattern shows main peaks at: 15.9°(0.21), 18.3°(0.11), 26.0°(0.18), 30.6°(1.0), 32.0°(0.5), 37.2°(0.08), 40.6°(0.07), 41.7°(0.05), 45.9°(0.08), 48.9°(0.38), 53.6°(0.29), 63.0°(0.13), 63.8°(0.21), 75.4°(0.23), 87.2°(0.07).
Generate atomic structure description with lattice length... | JVASP-66133 | 6.84 6.84 6.84
60 60 60
Ba 0.126 0.625 0.625
Ba 0.625 0.625 0.625
Ba 0.625 0.126 0.625
Ba 0.625 0.625 0.126
Si 0.250 0.250 0.250
W 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: In2CuO4.
The XRD pattern shows main peaks at: 24.5°(0.1), 33.4°(1.0), 46.5°(0.12), 47.4°(0.26), 48.4°(0.07), 59.2°(0.33), 59.9°(0.15), 69.3°(0.07), 70.1°(0.09), 79.2°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-17719 | 3.83 3.83 6.26
107 107 90
In 0.653 0.653 0.307
In 0.347 0.347 0.693
Cu 0.000 0.000 0.000
O 0.250 0.750 0.500
O 0.750 0.250 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: LiNbO3.
The XRD pattern shows main peaks at: 23.5°(1.0), 32.4°(0.41), 34.6°(0.22), 42.3°(0.14), 48.1°(0.18), 52.7°(0.29), 55.8°(0.16), 56.2°(0.08), 60.7°(0.15), 62.1°(0.13), 67.8°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-151657 | 5.56 5.56 5.56
55 55 55
Li 0.787 0.787 0.787
Li 0.287 0.287 0.287
Nb 0.005 0.005 0.005
Nb 0.505 0.505 0.505
O 0.610 0.873 0.225
O 0.873 0.225 0.610
O 0.225 0.610 0.873
O 0.373 0.110 0.725
O 0.110 0.725 0.373
O 0.725 0.373 0.110 |
Below is a description of a material. | The chemical formula is: Yb2CdHg.
The XRD pattern shows main peaks at: 34.2°(1.0), 49.2°(0.17), 61.3°(0.35), 72.1°(0.11), 82.3°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-37491 | 5.24 5.24 5.24
60 60 60
Yb 0.000 0.000 0.000
Yb 0.500 0.500 0.500
Cd 0.250 0.250 0.250
Hg 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: Li2CoO3.
The XRD pattern shows main peaks at: 14.9°(0.31), 15.8°(0.29), 19.0°(1.0), 24.3°(0.17), 30.1°(0.07), 32.0°(0.11), 32.6°(0.11), 35.6°(0.07), 37.2°(0.22), 40.2°(0.05), 44.9°(0.64), 45.8°(0.29), 49.8°(0.07), 59.2°(0.09), 64.7°(0.08), 66.2°(0.19), 84.2°(0.07).
Generate atomic structure des... | JVASP-137391 | 6.28 6.28 5.76
76 76 25
Li 0.659 0.659 0.660
Li 0.000 0.000 0.000
Li 0.341 0.341 0.340
Li -0.000 -0.000 0.500
Co 0.337 0.337 0.827
Co 0.663 0.663 0.173
O 0.826 0.826 0.061
O 0.171 0.171 0.386
O 0.489 0.489 0.757
O 0.511 0.511 0.243
O 0.829 0.829 0.614
O 0.174 0.174 0.939 |
Below is a description of a material. | The chemical formula is: Nd2Au.
The XRD pattern shows main peaks at: 23.4°(0.13), 28.8°(0.58), 30.2°(0.26), 31.2°(0.37), 31.7°(1.0), 33.8°(0.86), 35.4°(0.7), 38.6°(0.17), 42.2°(0.37), 47.9°(0.24), 53.4°(0.14), 56.0°(0.16), 57.8°(0.15), 59.5°(0.12), 61.3°(0.16), 62.5°(0.14), 65.8°(0.12), 67.7°(0.16), 68.2°(0.09), 78.5°(... | JVASP-169482 | 5.07 7.28 9.33
90 90 90
Nd 0.750 0.653 0.585
Nd 0.750 0.153 0.915
Nd 0.250 0.347 0.415
Nd 0.250 0.847 0.085
Nd 0.750 0.008 0.323
Nd 0.750 0.508 0.177
Nd 0.250 0.992 0.677
Nd 0.250 0.492 0.823
Au 0.750 0.240 0.597
Au 0.750 0.740 0.903
Au 0.250 0.760 0.403
Au 0.250 0.260 0.097 |
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