instruction stringclasses 1
value | input stringlengths 172 433 | id stringlengths 7 12 | output stringlengths 43 458 |
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Below is a description of a material. | The chemical formula is: PrB2C2.
The XRD pattern shows main peaks at: 22.8°(0.27), 23.3°(0.9), 32.8°(1.0), 33.2°(0.38), 40.7°(0.58), 46.6°(0.13), 47.7°(0.16), 52.8°(0.19), 53.7°(0.31), 58.4°(0.15), 59.1°(0.27), 68.9°(0.11), 73.8°(0.22), 74.4°(0.12), 77.7°(0.08), 79.3°(0.12), 82.4°(0.08), 83.9°(0.11).
Generate atomic st... | JVASP-21631 | 5.40 5.40 3.90
90 90 90
Pr 0.500 0.500 0.000
Pr 0.000 0.000 0.000
B 0.139 0.639 0.500
B 0.639 0.861 0.500
B 0.861 0.361 0.500
B 0.361 0.139 0.500
C 0.840 0.660 0.500
C 0.340 0.840 0.500
C 0.660 0.160 0.500
C 0.160 0.340 0.500 |
Below is a description of a material. | The chemical formula is: B11Ru.
The XRD pattern shows main peaks at: 19.5°(0.34), 21.6°(0.26), 22.4°(1.0), 24.0°(0.58), 26.5°(0.23), 31.7°(0.18), 34.7°(0.38), 37.3°(0.27), 38.0°(0.24), 39.5°(0.11), 40.3°(0.19), 41.7°(0.24), 42.8°(0.28), 44.3°(0.13), 45.0°(0.13), 45.6°(0.12), 49.1°(0.13), 52.1°(0.09), 52.8°(0.12), 56.7°... | JVASP-125153 | 5.25 5.67 5.25
52 55 52
B -0.002 0.062 0.627
B 0.627 0.062 -0.002
B 0.360 0.968 0.003
B 0.976 0.299 0.976
B 0.003 0.968 0.360
B 0.249 0.624 0.249
B 0.225 0.216 0.621
B 0.621 0.216 0.225
B 0.386 0.796 0.777
B 0.752 0.394 0.752
B 0.777 0.796 0.386
Ru 0.027 0.598 0.027 |
Below is a description of a material. | The chemical formula is: Ba4MnTe.
The XRD pattern shows main peaks at: 15.5°(0.21), 25.4°(0.17), 29.9°(1.0), 31.2°(0.52), 36.2°(0.12), 39.6°(0.06), 44.8°(0.06), 47.6°(0.35), 52.2°(0.32), 61.3°(0.13), 62.1°(0.22), 73.3°(0.23), 76.9°(0.05), 84.6°(0.07).
Generate atomic structure description with lattice lengths, angles, ... | JVASP-64511 | 7.01 7.01 7.01
60 60 60
Ba 0.125 0.625 0.625
Ba 0.625 0.625 0.625
Ba 0.625 0.125 0.625
Ba 0.625 0.625 0.125
Mn 0.250 0.250 0.250
Te 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: BaLiCa2.
The XRD pattern shows main peaks at: 9.4°(0.42), 18.9°(0.25), 21.4°(0.38), 23.5°(0.53), 28.7°(1.0), 30.5°(0.5), 32.0°(0.11), 36.1°(0.23), 42.2°(0.23), 43.7°(0.16), 44.3°(0.09), 48.0°(0.08), 49.1°(0.08), 49.8°(0.1), 50.1°(0.14), 53.1°(0.39), 53.6°(0.15), 71.1°(0.1), 71.5°(0.13), 72.0°(0... | JVASP-65566 | 4.15 4.15 9.39
90 90 90
Ba 0.500 0.500 0.715
Li 0.000 0.000 0.468
Ca 0.000 0.000 0.028
Ca 0.500 0.500 0.289 |
Below is a description of a material. | The chemical formula is: Al3F.
The XRD pattern shows main peaks at: 22.6°(0.54), 29.0°(0.84), 30.6°(1.0), 32.4°(0.12), 36.8°(0.66), 39.9°(0.57), 42.7°(0.38), 43.6°(0.17), 44.2°(0.18), 46.2°(0.21), 47.3°(0.12), 47.8°(0.11), 48.7°(0.17), 49.2°(0.17), 57.1°(0.19), 57.6°(0.17), 61.8°(0.23), 65.7°(0.14), 72.0°(0.12), 77.5°(... | JVASP-136781 | 6.67 4.85 2.85
58 76 98
Al 0.069 0.074 -0.027
Al 0.261 0.669 0.785
Al 0.665 0.671 0.565
F 0.666 0.379 0.322 |
Below is a description of a material. | The chemical formula is: BeTlFe2.
The XRD pattern shows main peaks at: 22.2°(0.07), 26.6°(1.0), 41.3°(0.88), 41.8°(0.31), 45.3°(0.16), 49.4°(0.26), 57.0°(0.24), 63.3°(0.08), 66.6°(0.15), 69.3°(0.18), 72.4°(0.08), 78.7°(0.05), 81.0°(0.11), 84.3°(0.08), 87.0°(0.19), 89.7°(0.11).
Generate atomic structure description with... | JVASP-71988 | 4.78 4.78 4.78
134 134 66
Be 0.750 0.250 0.500
Tl 0.250 0.750 0.500
Fe 0.000 0.000 0.000
Fe 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: ZnSnO3.
The XRD pattern shows main peaks at: 22.5°(0.06), 23.4°(0.09), 32.7°(1.0), 33.4°(0.44), 45.9°(0.12), 47.9°(0.2), 57.9°(0.23), 59.2°(0.41), 68.5°(0.13), 79.9°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-49598 | 5.36 5.37 7.92
90 90 90
Zn 0.009 0.028 0.250
Zn 0.509 0.472 0.750
Zn 0.491 0.528 0.250
Zn 0.991 0.972 0.750
Sn 0.500 0.000 0.000
Sn 0.000 0.500 0.000
Sn 0.000 0.500 0.500
Sn 0.500 0.000 0.500
O 0.167 0.172 0.930
O 0.667 0.328 0.070
O 0.333 0.672 0.930
O 0.833 0.828 0.070
O 0.167 0.172 0.570
O 0.374 0.905 0.250
O 0.126 ... |
Below is a description of a material. | The chemical formula is: Si2TcOs.
The XRD pattern shows main peaks at: 25.9°(0.15), 30.0°(0.56), 43.0°(1.0), 50.9°(0.08), 53.3°(0.16), 62.4°(0.16), 70.8°(0.21), 78.8°(0.34).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-37215 | 4.21 4.21 4.21
60 60 60
Si 0.000 0.000 0.000
Si 0.500 0.500 0.500
Tc 0.750 0.750 0.750
Os 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: BaYPd2.
The XRD pattern shows main peaks at: 29.3°(1.0), 41.9°(0.74), 52.0°(0.3), 60.9°(0.09), 69.0°(0.26), 76.6°(0.22).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-69068 | 4.30 4.30 6.11
90 90 90
Ba 0.500 0.500 0.875
Y 0.000 0.000 0.375
Pd 0.000 0.000 0.875
Pd 0.500 0.500 0.375 |
Below is a description of a material. | The chemical formula is: Hf3Tl.
The XRD pattern shows main peaks at: 35.1°(1.0), 38.3°(0.2), 41.9°(0.32), 58.0°(0.23), 60.7°(0.1), 67.1°(0.14), 72.1°(0.26), 74.1°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-38484 | 5.60 5.60 5.60
134 134 65
Hf 0.750 0.250 0.500
Hf 0.250 0.750 0.500
Hf 0.500 0.500 0.000
Tl 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: CrN2.
The XRD pattern shows main peaks at: 26.0°(0.49), 28.5°(0.53), 35.0°(1.0), 47.5°(0.16), 51.9°(0.25), 53.6°(0.17), 54.3°(0.23), 58.8°(0.08), 65.4°(0.19), 67.7°(0.1), 74.3°(0.14), 77.8°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-36570 | 3.95 3.95 7.76
90 90 120
Cr 0.500 0.500 0.333
Cr 0.500 0.000 0.000
Cr -0.000 0.500 0.667
N 0.406 0.594 0.833
N 0.406 0.813 0.500
N 0.187 0.594 0.167
N 0.594 0.406 0.833
N 0.594 0.187 0.500
N 0.813 0.406 0.167 |
Below is a description of a material. | The chemical formula is: LiCdHg2.
The XRD pattern shows main peaks at: 19.1°(0.57), 27.8°(0.2), 28.9°(0.13), 31.8°(0.51), 32.8°(0.58), 34.2°(1.0), 38.0°(0.07), 38.8°(0.3), 40.3°(0.6), 41.4°(0.28), 46.0°(0.09), 48.5°(0.05), 55.1°(0.23), 56.1°(0.12), 56.8°(0.13), 63.2°(0.12), 66.5°(0.22), 70.2°(0.1), 70.9°(0.07), 72.1°(0... | JVASP-82065 | 12.40 8.57 8.57
22 18 18
Li 0.000 0.000 0.000
Cd 0.500 0.000 0.000
Hg 0.692 0.041 0.041
Hg 0.308 0.959 0.959 |
Below is a description of a material. | The chemical formula is: Ho2CdHg.
The XRD pattern shows main peaks at: 34.4°(1.0), 49.4°(0.19), 61.6°(0.35), 72.4°(0.11), 82.7°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-107447 | 5.22 5.22 5.22
60 60 60
Ho 0.250 0.250 0.250
Ho 0.750 0.750 0.750
Cd 0.500 0.500 0.500
Hg 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: KBiF6.
The XRD pattern shows main peaks at: 16.3°(0.77), 18.5°(0.29), 23.2°(0.72), 24.8°(1.0), 29.8°(0.29), 33.0°(0.09), 37.1°(0.14), 38.1°(0.13), 41.2°(0.09), 41.7°(0.59), 44.6°(0.22), 47.4°(0.17), 50.8°(0.16), 51.3°(0.1), 53.8°(0.15), 54.2°(0.16), 57.0°(0.12), 65.0°(0.12), 67.1°(0.16), 74.8°(... | JVASP-146319 | 5.42 5.42 9.59
90 90 90
K 0.500 0.500 0.500
K 0.500 0.500 0.000
Bi 0.000 0.000 0.250
Bi 0.000 0.000 0.750
F 0.731 0.269 0.250
F 0.269 0.731 0.250
F 0.731 0.731 0.750
F 0.269 0.269 0.750
F 0.191 0.191 0.398
F 0.809 0.809 0.398
F 0.191 0.809 0.898
F 0.809 0.191 0.898
F 0.191 0.809 0.602
F 0.809 0.191 0.602
F 0.809 0.809 ... |
Below is a description of a material. | The chemical formula is: MgCuSn.
The XRD pattern shows main peaks at: 24.1°(0.81), 39.8°(1.0), 47.0°(0.4), 57.6°(0.15), 72.3°(0.3), 85.8°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-51444 | 4.53 4.53 4.53
60 60 60
Mg 0.500 0.500 0.500
Cu 0.000 0.000 0.000
Sn 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: PdNCl4.
The XRD pattern shows main peaks at: 15.8°(0.71), 22.4°(0.29), 25.0°(1.0), 33.9°(0.29), 35.8°(0.7), 41.0°(0.27), 45.6°(0.18), 47.2°(0.24), 48.6°(0.09), 51.5°(0.23), 52.9°(0.27), 59.3°(0.3), 63.1°(0.11), 66.6°(0.05), 67.9°(0.09), 71.2°(0.15), 72.2°(0.05), 75.9°(0.07), 86.9°(0.1).
Generat... | JVASP-118075 | 5.95 5.95 5.95
96 96 140
Pd -0.057 -0.057 -0.000
N 0.443 0.443 0.000
Cl 0.228 0.025 0.367
Cl 0.860 0.228 0.203
Cl 0.025 0.657 0.797
Cl 0.657 0.860 0.633 |
Below is a description of a material. | The chemical formula is: CeScS3.
The XRD pattern shows main peaks at: 16.6°(0.09), 18.6°(0.23), 20.7°(0.61), 26.4°(1.0), 27.6°(0.21), 31.8°(0.31), 33.5°(0.16), 33.9°(0.39), 35.8°(0.1), 37.4°(0.12), 37.9°(0.52), 38.7°(0.33), 40.2°(0.16), 41.3°(0.38), 47.5°(0.27), 48.1°(0.3), 49.8°(0.17), 62.3°(0.22), 64.2°(0.11), 79.3°(... | JVASP-155114 | 6.46 7.19 9.51
90 90 90
Ce 0.962 0.102 0.750
Ce 0.462 0.398 0.250
Ce 0.038 0.898 0.250
Ce 0.538 0.602 0.750
Sc 0.000 0.500 0.000
Sc 0.500 0.000 0.000
Sc 0.500 0.000 0.500
Sc 0.000 0.500 0.500
S 0.174 0.186 0.062
S 0.631 0.038 0.250
S 0.826 0.814 0.562
S 0.326 0.686 0.438
S 0.826 0.814 0.938
S 0.326 0.686 0.062
S 0.174 ... |
Below is a description of a material. | The chemical formula is: Na2Te.
The XRD pattern shows main peaks at: 17.5°(1.0), 19.2°(0.78), 26.1°(0.74), 33.6°(0.59), 35.5°(0.16), 38.1°(0.76), 39.0°(0.13), 40.6°(0.21), 43.0°(0.17), 49.7°(0.34), 63.1°(0.17), 65.4°(0.15), 71.8°(0.1), 73.4°(0.1).
Generate atomic structure description with lattice lengths, angles, coor... | JVASP-139633 | 5.33 5.06 5.33
90 119 90
Na -0.200 0.000 -0.200
Na 0.133 0.000 0.467
Te 0.467 0.000 0.133 |
Below is a description of a material. | The chemical formula is: SrFe4Cu3O12.
The XRD pattern shows main peaks at: 35.0°(1.0), 50.3°(0.25), 62.8°(0.45), 73.9°(0.12), 84.5°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-132977 | 6.28 6.28 6.28
70 70 109
Sr -0.000 -0.000 -0.000
Fe 1.000 0.500 -0.000
Fe 0.500 0.500 0.500
Fe 0.500 -0.000 1.000
Fe -0.000 -0.000 0.500
Cu 0.500 1.000 0.500
Cu 0.500 0.500 -0.000
Cu -0.000 0.500 0.500
O 0.510 0.692 0.183
O 0.490 0.308 0.817
O 0.692 0.817 0.490
O 0.308 0.183 0.510
O 0.308 0.817 0.875
O 0.183 0.490 0.69... |
Below is a description of a material. | The chemical formula is: SmNi2B2.
The XRD pattern shows main peaks at: 21.2°(0.13), 26.3°(0.24), 26.9°(0.06), 31.6°(0.14), 32.8°(0.39), 36.7°(0.3), 37.1°(1.0), 39.6°(0.12), 43.4°(0.22), 44.3°(0.19), 46.3°(0.08), 51.9°(0.11), 54.3°(0.09), 55.2°(0.06), 56.5°(0.12), 61.5°(0.14), 67.1°(0.1), 69.1°(0.06), 76.1°(0.07), 81.7°... | JVASP-165987 | 5.02 5.02 6.10
102 104 114
Sm 0.871 0.121 0.750
Sm 0.129 0.879 0.250
Ni 0.168 0.720 0.699
Ni 0.521 0.469 0.801
Ni 0.832 0.280 0.301
Ni 0.479 0.531 0.199
B 0.678 0.496 0.526
B 0.471 0.152 0.974
B 0.322 0.504 0.474
B 0.529 0.848 0.026 |
Below is a description of a material. | The chemical formula is: RbCrO2.
The XRD pattern shows main peaks at: 28.6°(0.47), 34.3°(0.08), 35.3°(0.65), 39.2°(1.0), 41.9°(0.1), 52.2°(0.32), 59.3°(0.06), 60.7°(0.5), 68.5°(0.23), 72.2°(0.08), 74.7°(0.12), 80.6°(0.11), 84.2°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and ... | JVASP-22714 | 6.48 6.48 6.48
27 27 27
Rb 0.000 0.000 0.000
Cr 0.500 0.500 0.500
O 0.221 0.221 0.221
O 0.779 0.779 0.779 |
Below is a description of a material. | The chemical formula is: Ca2Mg.
The XRD pattern shows main peaks at: 25.1°(0.1), 30.0°(0.21), 30.8°(0.29), 31.4°(1.0), 33.8°(0.08), 43.5°(0.14), 46.4°(0.09), 54.1°(0.08), 55.1°(0.17), 56.7°(0.1), 65.5°(0.08), 76.5°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-100669 | 9.15 9.15 5.81
90 90 155
Ca 0.084 0.916 0.250
Ca 0.775 0.225 0.250
Ca 0.225 0.775 0.750
Ca 0.916 0.084 0.750
Mg 0.429 0.571 0.250
Mg 0.571 0.429 0.750 |
Below is a description of a material. | The chemical formula is: Mg2I.
The XRD pattern shows main peaks at: 14.9°(1.0), 16.6°(0.26), 22.4°(0.88), 23.2°(0.76), 27.7°(0.45), 28.7°(0.15), 32.5°(0.65), 33.6°(0.27), 34.6°(0.54), 37.0°(0.21), 41.2°(0.29), 42.0°(0.55), 44.1°(0.26), 47.4°(0.11), 53.0°(0.17), 55.0°(0.11), 59.4°(0.22), 60.0°(0.2), 63.4°(0.1), 65.9°(0.... | JVASP-135411 | 5.33 3.84 5.94
90 90 90
Mg -0.033 0.000 -0.128
Mg -0.033 0.000 0.395
I 0.467 0.000 0.133 |
Below is a description of a material. | The chemical formula is: TbPu3.
The XRD pattern shows main peaks at: 30.2°(0.23), 32.9°(0.26), 34.5°(1.0), 45.3°(0.16), 53.7°(0.2), 59.8°(0.22), 64.4°(0.22), 65.4°(0.16), 84.5°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-100254 | 6.83 6.83 5.44
90 90 120
Tb 0.333 0.667 0.750
Tb 0.667 0.333 0.250
Pu 0.163 0.326 0.250
Pu 0.674 0.837 0.250
Pu 0.163 0.837 0.250
Pu 0.837 0.674 0.750
Pu 0.326 0.163 0.750
Pu 0.837 0.163 0.750 |
Below is a description of a material. | The chemical formula is: SnIr3.
The XRD pattern shows main peaks at: 39.0°(1.0), 45.4°(0.51), 66.1°(0.34), 79.5°(0.39), 83.8°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-129265 | 4.00 4.00 4.00
90 90 90
Sn 0.000 0.000 0.000
Ir 0.000 0.500 0.500
Ir 0.500 0.000 0.500
Ir 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: Be2NbPd.
The XRD pattern shows main peaks at: 28.6°(0.63), 31.7°(0.9), 43.2°(1.0), 45.4°(0.44), 54.5°(0.37), 59.2°(0.09), 66.1°(0.13), 68.7°(0.19), 73.6°(0.16), 75.2°(0.15), 77.6°(0.15), 82.3°(0.28).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-71559 | 2.83 2.83 6.24
90 90 90
Be 0.000 0.000 0.716
Be 0.000 0.000 0.284
Nb 0.500 0.500 0.000
Pd 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: FeCO3.
The XRD pattern shows main peaks at: 24.8°(0.37), 32.4°(1.0), 38.2°(0.21), 42.4°(0.18), 46.1°(0.2), 50.9°(0.11), 53.4°(0.31), 53.8°(0.19), 61.3°(0.15), 65.4°(0.11), 69.0°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-177871 | 4.72 4.72 5.70
65 65 60
Fe 1.000 0.000 1.000
Fe 0.500 0.500 0.500
C 0.250 0.250 0.250
C 0.750 0.750 0.750
O 0.250 0.974 0.250
O 0.974 0.526 0.250
O 0.526 0.250 0.250
O 0.750 0.026 0.750
O 0.026 0.474 0.750
O 0.474 0.750 0.750 |
Below is a description of a material. | The chemical formula is: Y2GaAu.
The XRD pattern shows main peaks at: 21.4°(0.18), 35.3°(1.0), 50.8°(0.18), 63.4°(0.28), 74.7°(0.06), 85.5°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-80591 | 12.44 8.80 8.80
33 19 19
Y 0.750 -0.000 -0.000
Y 0.250 0.000 0.000
Ga 0.000 0.000 0.000
Au 0.500 -0.000 -0.000 |
Below is a description of a material. | The chemical formula is: CaH2.
The XRD pattern shows main peaks at: 28.4°(0.38), 30.4°(1.0), 32.3°(0.72), 42.0°(0.25), 47.7°(0.15), 50.3°(0.09), 51.5°(0.08), 54.1°(0.15), 55.2°(0.14), 57.6°(0.15), 61.0°(0.24), 63.4°(0.08), 77.1°(0.07), 77.9°(0.1), 85.9°(0.07).
Generate atomic structure description with lattice lengths,... | JVASP-12559 | 3.55 5.89 6.77
90 90 90
Ca 0.250 0.740 0.612
Ca 0.750 0.260 0.388
Ca 0.250 0.240 0.888
Ca 0.750 0.760 0.112
H 0.250 0.473 0.176
H 0.750 0.527 0.824
H 0.250 0.973 0.324
H 0.750 0.027 0.676
H 0.750 0.644 0.428
H 0.250 0.356 0.572
H 0.750 0.144 0.072
H 0.250 0.856 0.928 |
Below is a description of a material. | The chemical formula is: Sr2AsPd.
The XRD pattern shows main peaks at: 33.9°(1.0), 48.6°(0.19), 60.6°(0.39), 71.2°(0.12), 81.2°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-181143 | 5.30 5.30 5.30
60 60 60
Sr 0.250 0.250 0.250
Sr 0.750 0.750 0.750
As 0.500 0.500 0.500
Pd -0.000 0.000 -0.000 |
Below is a description of a material. | The chemical formula is: CaMn2Si2.
The XRD pattern shows main peaks at: 17.0°(0.4), 34.4°(0.47), 36.6°(1.0), 46.2°(0.5), 47.8°(0.32), 49.5°(0.18), 58.9°(0.22), 63.1°(0.18), 67.4°(0.15), 70.0°(0.1), 72.5°(0.07), 77.9°(0.06), 79.2°(0.17), 86.8°(0.11).
Generate atomic structure description with lattice lengths, angles, co... | JVASP-179838 | 5.91 5.91 5.91
141 141 56
Ca 0.000 0.000 0.000
Mn 0.250 0.750 0.500
Mn 0.750 0.250 0.500
Si 0.375 0.375 -0.000
Si 0.625 0.625 -0.000 |
Below is a description of a material. | The chemical formula is: BaP2Ru2.
The XRD pattern shows main peaks at: 14.5°(0.2), 23.1°(0.23), 29.3°(0.32), 31.1°(0.48), 34.5°(1.0), 43.3°(0.11), 44.6°(0.35), 54.2°(0.22), 55.4°(0.55), 60.8°(0.05), 64.8°(0.11), 72.7°(0.09), 75.6°(0.19), 78.5°(0.1).
Generate atomic structure description with lattice lengths, angles, co... | JVASP-190458 | 4.07 4.07 6.73
107 107 89
Ru 0.250 0.750 0.500
Ru 0.750 0.250 0.500
Ba 1.000 1.000 1.000
P 0.656 0.656 0.311
P 0.344 0.344 0.689 |
Below is a description of a material. | The chemical formula is: Tb8Pr.
The XRD pattern shows main peaks at: 29.1°(0.4), 29.7°(0.17), 32.1°(1.0), 33.9°(0.88), 51.2°(0.42), 61.7°(0.16), 62.8°(0.16), 84.2°(0.13), 85.2°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-130086 | 3.57 3.57 25.66
90 90 120
Tb 0.000 0.000 0.224
Tb 0.667 0.333 0.114
Tb 0.667 0.333 0.335
Tb 0.667 0.333 0.555
Tb 0.333 0.667 0.445
Tb 0.333 0.667 0.665
Tb 0.333 0.667 0.886
Tb 0.000 0.000 0.776
Pr 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Mn2SnS4.
The XRD pattern shows main peaks at: 15.1°(0.46), 17.2°(0.32), 23.2°(0.14), 24.6°(0.13), 27.3°(0.15), 28.2°(0.16), 30.2°(0.12), 34.1°(1.0), 34.8°(0.48), 37.2°(0.11), 38.8°(0.08), 39.5°(0.07), 47.5°(0.4), 50.5°(0.17), 51.4°(0.29), 56.7°(0.07), 62.8°(0.16), 63.4°(0.08), 71.7°(0.09), 79.4... | JVASP-99580 | 3.62 6.13 6.79
73 90 90
Mn 0.000 0.500 0.500
Mn 0.500 -0.000 0.500
Sn 0.000 0.000 0.000
S 0.000 0.229 0.300
S 0.500 0.264 0.716
S 0.000 0.771 0.700
S 0.500 0.736 0.284 |
Below is a description of a material. | The chemical formula is: BeSnBi2.
The XRD pattern shows main peaks at: 20.5°(0.14), 21.7°(0.18), 24.7°(0.27), 33.1°(1.0), 35.2°(0.4), 41.7°(0.15), 44.3°(0.11), 50.6°(0.15), 51.4°(0.07), 55.7°(0.06), 57.1°(0.06), 57.8°(0.2), 61.8°(0.34), 69.5°(0.12), 74.4°(0.14), 83.8°(0.08), 85.0°(0.07).
Generate atomic structure descr... | JVASP-75026 | 5.46 5.46 5.46
124 124 82
Be 0.750 0.250 0.500
Sn 0.250 0.750 0.500
Bi 0.000 0.000 0.000
Bi 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: CdIn3.
The XRD pattern shows main peaks at: 30.9°(0.23), 32.4°(0.25), 35.0°(1.0), 45.4°(0.16), 54.9°(0.17), 59.5°(0.2), 65.2°(0.18), 66.8°(0.14), 85.3°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-168474 | 6.69 6.69 5.52
90 90 120
Cd 0.333 0.667 0.750
Cd 0.667 0.333 0.250
In 0.168 0.336 0.250
In 0.664 0.832 0.250
In 0.168 0.832 0.250
In 0.832 0.664 0.750
In 0.336 0.168 0.750
In 0.832 0.168 0.750 |
Below is a description of a material. | The chemical formula is: TiPbO3.
The XRD pattern shows main peaks at: 22.5°(0.38), 32.0°(1.0), 39.4°(0.32), 45.8°(0.31), 51.6°(0.22), 57.0°(0.4), 66.8°(0.19), 71.5°(0.09), 76.0°(0.19), 80.4°(0.11), 84.8°(0.07), 89.2°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-4957 | 3.96 3.96 3.96
90 90 90
Ti 0.500 0.500 0.500
Pb 0.000 0.000 0.000
O 0.000 0.500 0.500
O 0.500 0.500 0.000
O 0.500 0.000 0.500 |
Below is a description of a material. | The chemical formula is: V2CrSe4.
The XRD pattern shows main peaks at: 16.5°(0.1), 27.9°(0.1), 30.4°(0.11), 32.4°(0.38), 33.4°(0.47), 34.0°(1.0), 34.5°(0.43), 35.4°(0.19), 40.9°(0.11), 41.7°(0.27), 43.2°(0.41), 44.0°(0.54), 52.4°(0.43), 55.2°(0.24), 56.1°(0.14), 56.9°(0.11), 63.1°(0.14), 65.5°(0.1), 66.1°(0.14), 85.2°(... | JVASP-35422 | 3.33 6.15 6.76
115 104 90
V 0.257 0.321 0.513
V 0.743 0.679 0.487
Cr 0.000 0.000 0.000
Se 0.102 0.440 0.205
Se 0.898 0.560 0.795
Se 0.363 0.026 0.725
Se 0.637 0.974 0.275 |
Below is a description of a material. | The chemical formula is: AgMoH4S4N.
The XRD pattern shows main peaks at: 15.9°(1.0), 22.5°(0.3), 29.6°(0.23), 32.0°(0.18), 34.8°(0.28), 35.9°(0.15), 38.4°(0.25), 45.0°(0.13), 48.0°(0.36), 48.9°(0.08), 51.7°(0.14), 56.3°(0.08), 59.7°(0.07), 61.4°(0.07), 68.7°(0.07), 75.6°(0.05), 77.8°(0.06), 86.8°(0.05).
Generate atomic... | JVASP-150963 | 6.30 6.30 6.30
102 102 125
Ag 0.750 0.250 0.500
Mo 0.250 0.750 0.500
H 0.700 0.557 0.055
H 0.502 0.644 0.945
H 0.443 0.498 0.143
H 0.356 0.300 0.857
S 0.923 0.340 0.174
S 0.166 0.748 0.826
S 0.660 0.834 0.583
S 0.252 0.077 0.417
N 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: Nb4AlN3.
The XRD pattern shows main peaks at: 7.2°(1.0), 14.4°(0.14), 33.5°(0.17), 34.1°(0.59), 35.1°(0.27), 36.5°(0.58), 38.2°(0.96), 59.6°(0.62), 70.5°(0.07), 71.9°(0.08), 73.0°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-148159 | 3.10 3.10 24.53
90 90 119
Nb 0.333 0.667 0.449
Nb 0.667 0.333 0.551
Nb 0.667 0.333 0.949
Nb 0.333 0.667 0.051
Nb 0.000 0.000 0.341
Nb 0.000 0.000 0.659
Nb 0.000 0.000 0.841
Nb 0.000 0.000 0.159
Al 0.333 0.667 0.250
Al 0.667 0.333 0.750
N 0.000 0.000 0.500
N 0.000 0.000 0.000
N 0.667 0.333 0.393
N 0.333 0.667 0.607
N 0.... |
Below is a description of a material. | The chemical formula is: NaNiIO6.
The XRD pattern shows main peaks at: 17.4°(1.0), 20.5°(0.54), 27.0°(0.98), 35.3°(0.07), 35.9°(0.37), 40.2°(0.52), 41.1°(0.11), 45.5°(0.2), 51.2°(0.59), 58.4°(0.09), 59.3°(0.2), 64.5°(0.17), 66.6°(0.16), 67.4°(0.13), 86.7°(0.1).
Generate atomic structure description with lattice lengths... | JVASP-109216 | 5.00 5.00 5.09
90 90 120
Na 0.333 0.667 0.000
Ni 0.667 0.333 0.500
I 0.000 0.000 0.500
O 0.338 0.041 0.709
O 0.959 0.662 0.291
O 0.338 0.296 0.291
O 0.704 0.041 0.291
O 0.959 0.296 0.709
O 0.704 0.662 0.709 |
Below is a description of a material. | The chemical formula is: CdSiP2.
The XRD pattern shows main peaks at: 23.3°(0.4), 27.0°(0.2), 38.6°(1.0), 45.6°(0.22), 47.7°(0.06), 55.7°(0.16), 61.2°(0.09), 63.0°(0.08), 69.8°(0.33), 74.7°(0.06), 82.7°(0.1), 87.4°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-36180 | 4.67 4.67 4.67
60 60 60
Cd 0.000 0.000 0.000
Si 0.500 0.500 0.500
P 0.250 0.250 0.250
P 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: KHg3.
The XRD pattern shows main peaks at: 14.4°(0.17), 21.7°(0.13), 25.1°(0.08), 29.0°(0.26), 32.5°(0.27), 33.4°(1.0), 42.2°(0.12), 44.1°(0.17), 51.4°(0.2), 58.5°(0.21), 62.2°(0.24), 62.7°(0.17), 81.6°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and a... | JVASP-168512 | 7.11 7.11 5.51
90 90 120
K 0.667 0.333 0.250
K 0.333 0.667 0.750
Hg 0.317 0.159 0.750
Hg 0.841 0.683 0.750
Hg 0.159 0.841 0.250
Hg 0.683 0.841 0.250
Hg 0.159 0.317 0.250
Hg 0.841 0.159 0.750 |
Below is a description of a material. | The chemical formula is: CoCN2.
The XRD pattern shows main peaks at: 19.2°(0.73), 34.6°(0.32), 36.0°(0.19), 39.0°(0.09), 39.9°(1.0), 53.1°(0.43), 62.0°(0.22), 65.6°(0.15), 75.8°(0.07), 76.4°(0.11), 86.1°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-56898 | 2.99 2.99 9.24
90 90 120
Co 0.000 0.000 0.500
Co 0.000 0.000 0.000
C 0.333 0.667 0.250
C 0.667 0.333 0.750
N 0.667 0.333 0.616
N 0.333 0.667 0.384
N 0.667 0.333 0.884
N 0.333 0.667 0.116 |
Below is a description of a material. | The chemical formula is: VSi2Pt.
The XRD pattern shows main peaks at: 25.5°(0.46), 29.6°(0.66), 42.4°(1.0), 50.1°(0.23), 52.4°(0.09), 52.8°(0.1), 61.6°(0.18), 67.6°(0.06), 69.7°(0.14), 77.3°(0.21), 78.0°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-184899 | 4.27 4.27 4.29
120 120 59
V -0.000 -0.000 -0.000
Si 0.249 0.249 0.750
Si 0.751 0.751 0.250
Pt 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: NdTaO4.
The XRD pattern shows main peaks at: 15.8°(0.06), 23.2°(0.11), 27.3°(1.0), 29.7°(0.74), 31.8°(0.18), 33.0°(0.25), 34.2°(0.18), 36.0°(0.08), 40.9°(0.07), 45.2°(0.17), 46.5°(0.21), 47.4°(0.2), 51.2°(0.11), 51.8°(0.09), 54.1°(0.19), 55.8°(0.13), 56.3°(0.08), 58.2°(0.11), 59.8°(0.11), 61.6°... | JVASP-9388 | 5.28 5.63 5.47
90 96 90
Nd 0.000 0.764 0.250
Nd 0.000 0.236 0.750
Ta 0.500 0.688 0.750
Ta 0.500 0.312 0.250
O 0.274 0.561 0.991
O 0.726 0.561 0.509
O 0.726 0.439 0.009
O 0.274 0.439 0.491
O 0.744 0.091 0.390
O 0.256 0.091 0.110
O 0.256 0.909 0.610
O 0.744 0.909 0.890 |
Below is a description of a material. | The chemical formula is: Be2NbFe.
The XRD pattern shows main peaks at: 27.5°(0.18), 29.9°(0.57), 32.8°(0.88), 45.0°(1.0), 47.1°(0.43), 55.4°(0.05), 56.8°(0.35), 62.2°(0.09), 68.8°(0.13), 72.1°(0.17), 76.8°(0.13), 78.4°(0.13), 81.5°(0.16), 86.1°(0.28).
Generate atomic structure description with lattice lengths, angles, ... | JVASP-73139 | 4.05 4.05 4.05
123 123 84
Be 0.000 0.000 0.000
Be 0.500 0.500 0.000
Nb 0.750 0.250 0.500
Fe 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: Li6MgBr8.
The XRD pattern shows main peaks at: 28.3°(1.0), 32.8°(0.71), 47.1°(0.52), 55.9°(0.46), 58.6°(0.18), 68.9°(0.08), 78.4°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-12979 | 7.71 7.71 7.71
60 60 60
Li 0.500 0.000 -0.000
Li 0.000 0.000 0.500
Li 0.500 0.500 -0.000
Li 0.000 0.500 0.500
Li 0.000 0.500 -0.000
Li 0.500 0.000 0.500
Mg 0.000 0.000 0.000
Br 0.250 0.250 0.250
Br 0.750 0.750 0.750
Br 0.755 0.245 0.245
Br 0.755 0.755 0.245
Br 0.245 0.245 0.755
Br 0.755 0.245 0.755
Br 0.245 0.755 0.245... |
Below is a description of a material. | The chemical formula is: Hg2ClO.
The XRD pattern shows main peaks at: 15.1°(0.41), 20.1°(0.14), 21.0°(0.62), 26.8°(0.92), 29.6°(0.3), 30.6°(0.28), 30.9°(0.24), 31.2°(0.28), 31.6°(0.21), 33.7°(0.24), 35.1°(1.0), 40.5°(0.12), 42.3°(0.17), 45.5°(0.23), 47.4°(0.11), 48.6°(0.21), 49.9°(0.12), 50.9°(0.41), 56.6°(0.15), 60.8°... | JVASP-12521 | 6.03 6.77 9.65
103 90 116
Hg 0.143 0.896 0.604
Hg 0.248 0.104 0.896
Hg 0.857 0.104 0.396
Hg 0.752 0.896 0.104
Hg 0.593 0.000 0.750
Hg 0.407 0.000 0.250
Hg 0.500 0.500 0.500
Hg 0.000 0.500 -0.000
Cl 0.487 0.390 0.146
Cl 0.098 0.610 0.354
Cl 0.513 0.610 0.854
Cl 0.902 0.390 0.646
O 0.254 0.157 0.440
O 0.097 0.843 0.060
O... |
Below is a description of a material. | The chemical formula is: Nb2NiO6.
The XRD pattern shows main peaks at: 26.7°(1.0), 34.5°(0.82), 38.2°(0.2), 52.5°(0.55), 55.2°(0.11), 59.4°(0.1), 62.3°(0.08), 66.5°(0.15), 85.4°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-148130 | 5.64 5.64 7.39
107 107 72
Nb 0.667 0.660 0.181
Nb 0.649 0.680 0.677
Nb 0.004 0.021 0.473
Nb 0.309 0.327 0.849
Ni 0.329 0.322 0.328
Ni 0.009 0.003 0.002
O 0.712 0.313 0.501
O 0.313 0.708 0.500
O 0.244 0.238 0.543
O 0.098 0.093 0.789
O 0.564 0.563 0.869
O 0.370 0.956 0.168
O 0.963 0.364 0.168
O 0.028 0.627 0.826
O 0.897 ... |
Below is a description of a material. | The chemical formula is: Mg7Nb.
The XRD pattern shows main peaks at: 16.2°(0.37), 17.9°(0.09), 24.2°(0.22), 28.3°(0.09), 32.8°(0.29), 33.7°(0.11), 36.2°(0.24), 37.6°(1.0), 39.9°(0.08), 49.7°(0.16), 58.6°(0.16), 66.1°(0.17), 70.8°(0.17), 71.7°(0.13).
Generate atomic structure description with lattice lengths, angles, co... | JVASP-91899 | 6.30 6.30 4.96
90 90 120
Mg 0.170 0.835 0.250
Mg 0.665 0.330 0.250
Mg 0.665 0.835 0.250
Mg 0.325 0.175 0.750
Mg 0.325 0.651 0.750
Mg 0.849 0.175 0.750
Mg 0.833 0.667 0.750
Nb 0.167 0.333 0.250 |
Below is a description of a material. | The chemical formula is: LiCo2P2.
The XRD pattern shows main peaks at: 19.2°(1.0), 26.0°(0.25), 34.3°(0.12), 38.0°(0.11), 38.9°(0.06), 39.6°(0.85), 49.3°(0.39), 52.8°(0.61), 53.4°(0.26), 59.9°(0.05), 70.9°(0.11), 72.4°(0.13), 75.7°(0.08), 81.2°(0.08), 85.8°(0.16).
Generate atomic structure description with lattice leng... | JVASP-189338 | 3.69 3.69 5.32
110 110 90
P 0.379 0.379 0.758
P 0.621 0.621 0.242
Co 0.250 0.750 0.500
Co 0.750 0.250 0.500
Li -0.000 -0.000 -0.000 |
Below is a description of a material. | The chemical formula is: Be2CrPb.
The XRD pattern shows main peaks at: 15.9°(0.63), 27.9°(1.0), 32.2°(0.89), 39.8°(0.51), 43.1°(0.95), 49.1°(0.05), 52.1°(0.38), 57.5°(0.2), 60.1°(0.09), 65.1°(0.23), 67.5°(0.34), 74.5°(0.34), 79.0°(0.06), 81.1°(0.12), 85.7°(0.1).
Generate atomic structure description with lattice length... | JVASP-67378 | 3.20 3.20 5.57
90 90 90
Be 0.000 0.000 0.824
Be 0.000 0.000 0.176
Cr 0.500 0.500 0.000
Pb 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: La2P.
The XRD pattern shows main peaks at: 22.5°(0.76), 24.3°(0.56), 25.5°(1.0), 33.4°(0.78), 34.3°(0.53), 35.6°(0.43), 42.5°(0.85), 45.4°(0.11), 45.8°(0.18), 52.5°(0.24), 53.2°(0.25), 56.8°(0.12), 57.8°(0.12), 59.3°(0.2), 61.9°(0.12), 63.6°(0.26), 74.3°(0.11), 75.9°(0.11), 77.4°(0.11), 82.5°(0... | JVASP-139294 | 3.96 3.49 7.31
90 90 90
La -0.033 0.000 0.723
La -0.033 0.000 0.277
P 0.467 0.000 0.000 |
Below is a description of a material. | The chemical formula is: LaIr3.
The XRD pattern shows main peaks at: 9.9°(0.05), 19.2°(0.28), 30.1°(0.09), 33.0°(0.21), 38.5°(0.27), 38.9°(1.0), 40.4°(0.23), 42.0°(0.41), 45.3°(0.18), 59.7°(0.08), 62.9°(0.2), 69.3°(0.23).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-119404 | 9.45 9.45 9.45
33 33 33
La 0.860 0.860 0.860
La 0.140 0.140 0.140
La 0.000 0.000 0.000
Ir 0.421 0.916 0.421
Ir 0.421 0.421 0.916
Ir 0.916 0.421 0.421
Ir 0.579 0.084 0.579
Ir 0.579 0.579 0.084
Ir 0.084 0.579 0.579
Ir 0.668 0.668 0.668
Ir 0.332 0.332 0.332
Ir 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: DyMo6Se8.
The XRD pattern shows main peaks at: 13.1°(0.42), 18.4°(0.36), 18.7°(0.35), 22.4°(0.1), 29.4°(0.34), 29.7°(0.35), 32.6°(0.61), 37.3°(0.22), 39.4°(0.4), 40.3°(0.84), 42.1°(0.52), 42.5°(0.2), 44.5°(1.0), 45.8°(0.24), 50.8°(0.2), 57.9°(0.3), 68.5°(0.2), 83.8°(0.17).
Generate atomic struc... | JVASP-133152 | 6.76 6.76 6.76
89 89 89
Dy 0.000 0.000 0.000
Mo 0.766 0.576 0.441
Mo 0.441 0.766 0.576
Mo 0.576 0.441 0.766
Mo 0.234 0.424 0.559
Mo 0.559 0.234 0.424
Mo 0.424 0.559 0.234
Se 0.763 0.763 0.763
Se 0.237 0.237 0.237
Se 0.242 0.631 0.879
Se 0.879 0.242 0.631
Se 0.631 0.879 0.242
Se 0.758 0.369 0.121
Se 0.121 0.758 0.369
Se... |
Below is a description of a material. | The chemical formula is: Li2Si.
The XRD pattern shows main peaks at: 14.4°(0.3), 24.2°(1.0), 25.6°(0.33), 29.1°(0.09), 41.6°(0.56), 41.9°(0.48), 46.2°(0.2), 48.7°(0.14), 60.5°(0.15), 63.9°(0.08), 76.1°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-8663 | 4.34 4.34 6.63
70 70 60
Li 0.644 0.644 0.068
Li 0.356 0.356 0.932
Li 0.205 0.205 0.384
Li 0.795 0.795 0.616
Si 0.938 0.938 0.187
Si 0.062 0.062 0.813 |
Below is a description of a material. | The chemical formula is: Nb3In.
The XRD pattern shows main peaks at: 33.6°(0.43), 37.7°(1.0), 41.5°(0.87), 60.1°(0.06), 62.8°(0.22), 65.5°(0.43), 70.6°(0.16), 80.5°(0.13), 82.9°(0.18), 85.3°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-18146 | 5.33 5.33 5.33
90 90 90
Nb 0.500 0.250 0.000
Nb 0.500 0.750 0.000
Nb 0.250 0.000 0.500
Nb 0.750 0.000 0.500
Nb 0.000 0.500 0.250
Nb 0.000 0.500 0.750
In 0.500 0.500 0.500
In 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Cu2HgGeSe4.
The XRD pattern shows main peaks at: 17.1°(0.1), 21.4°(0.06), 26.8°(1.0), 28.4°(0.08), 43.7°(0.24), 44.8°(0.45), 52.0°(0.3), 54.0°(0.13), 63.5°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-16860 | 5.86 5.86 6.96
114 114 90
Cu 0.250 0.750 0.500
Cu 0.750 0.250 0.500
Hg 0.000 0.000 0.000
Ge 0.500 0.500 0.000
Se 0.407 0.407 0.275
Se 0.593 0.132 0.725
Se 0.132 0.593 0.725
Se 0.868 0.868 0.275 |
Below is a description of a material. | The chemical formula is: ZnPd3.
The XRD pattern shows main peaks at: 39.9°(1.0), 46.5°(0.49), 67.8°(0.33), 81.7°(0.39), 86.2°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-105883 | 3.91 3.91 3.91
90 90 90
Zn 0.000 0.000 0.000
Pd 0.000 0.500 0.500
Pd 0.500 0.000 0.500
Pd 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: LiPrHg2.
The XRD pattern shows main peaks at: 21.1°(0.15), 24.4°(0.25), 34.8°(1.0), 41.1°(0.07), 43.0°(0.08), 50.1°(0.16), 56.5°(0.1), 62.4°(0.38), 73.5°(0.12), 78.8°(0.05), 84.0°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-39702 | 5.15 5.15 5.15
60 60 60
Li 0.250 0.250 0.250
Pr 0.750 0.750 0.750
Hg 0.000 0.000 0.000
Hg 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: BaP.
The XRD pattern shows main peaks at: 22.6°(0.44), 32.2°(1.0), 39.7°(0.14), 46.2°(0.18), 52.1°(0.19), 57.5°(0.36), 67.4°(0.11), 72.1°(0.09), 76.7°(0.16), 81.2°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-128904 | 3.93 3.93 3.93
90 90 90
Ba 0.500 0.500 0.500
P 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: LiLa3.
The XRD pattern shows main peaks at: 17.4°(0.29), 24.7°(0.24), 30.4°(1.0), 35.3°(0.46), 39.6°(0.15), 43.5°(0.1), 50.7°(0.35), 54.0°(0.07), 60.3°(0.43), 63.3°(0.12), 69.0°(0.06), 74.6°(0.05), 82.6°(0.17), 85.2°(0.14).
Generate atomic structure description with lattice lengths, angles, coo... | JVASP-38589 | 5.09 5.09 5.09
90 90 90
Li 0.000 0.000 0.000
La 0.500 0.500 0.000
La 0.000 0.500 0.500
La 0.500 0.000 0.500 |
Below is a description of a material. | The chemical formula is: SrMg4Be.
The XRD pattern shows main peaks at: 18.1°(0.35), 20.9°(0.34), 29.8°(0.41), 35.1°(1.0), 36.7°(0.3), 46.7°(0.09), 48.0°(0.14), 52.9°(0.15), 56.3°(0.31), 61.9°(0.19), 65.0°(0.07), 66.1°(0.08), 70.2°(0.06), 73.1°(0.11), 74.1°(0.1), 85.7°(0.08), 88.5°(0.21).
Generate atomic structure descr... | JVASP-65011 | 6.00 6.00 6.00
60 60 60
Sr 0.250 0.250 0.250
Mg 0.123 0.626 0.626
Mg 0.626 0.626 0.626
Mg 0.626 0.123 0.626
Mg 0.626 0.626 0.123
Be 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Yb2Si.
The XRD pattern shows main peaks at: 23.4°(0.23), 24.4°(0.38), 30.0°(0.86), 30.9°(0.41), 31.8°(0.28), 32.5°(1.0), 35.6°(0.51), 37.5°(0.41), 38.5°(0.27), 39.2°(0.16), 50.0°(0.16), 50.6°(0.15), 53.0°(0.11), 54.9°(0.3), 55.4°(0.12), 59.6°(0.36), 64.6°(0.11), 66.7°(0.13), 68.1°(0.13), 84.7°(... | JVASP-176271 | 4.79 7.27 8.90
90 90 90
Yb 0.750 0.838 0.925
Yb 0.250 0.162 0.075
Yb 0.250 0.662 0.425
Yb 0.750 0.338 0.575
Yb 0.750 0.980 0.314
Yb 0.250 0.020 0.686
Yb 0.250 0.520 0.814
Yb 0.750 0.480 0.186
Si 0.750 0.751 0.603
Si 0.250 0.249 0.397
Si 0.250 0.749 0.103
Si 0.750 0.251 0.897 |
Below is a description of a material. | The chemical formula is: InAs.
The XRD pattern shows main peaks at: 25.0°(1.0), 41.4°(0.74), 49.0°(0.45), 60.0°(0.12), 66.0°(0.19), 75.5°(0.24).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-17666 | 4.36 4.36 4.36
60 60 60
In 0.250 0.250 0.250
As 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: ZrTa2.
The XRD pattern shows main peaks at: 17.1°(0.15), 37.2°(1.0), 37.6°(0.52), 41.6°(0.07), 51.8°(0.08), 53.1°(0.07), 54.2°(0.17), 66.9°(0.14), 67.6°(0.35), 79.3°(0.09), 80.3°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-188679 | 3.38 3.38 5.70
107 107 90
Ta 0.181 0.181 0.361
Ta 0.819 0.819 0.639
Zr 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: YbPm2In.
The XRD pattern shows main peaks at: 32.6°(1.0), 46.8°(0.19), 58.2°(0.39), 68.3°(0.11), 77.8°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-157463 | 5.49 5.49 5.49
60 60 60
Yb 0.750 0.750 0.750
Pm 0.000 0.000 0.000
Pm 0.500 0.500 0.500
In 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: KPuCO5.
The XRD pattern shows main peaks at: 18.2°(0.39), 20.1°(0.17), 22.1°(1.0), 27.2°(0.39), 34.2°(0.22), 35.2°(0.42), 36.8°(0.16), 39.9°(0.19), 42.0°(0.33), 45.1°(0.14), 49.9°(0.15), 51.1°(0.13), 51.9°(0.2), 55.9°(0.2), 62.6°(0.1), 63.6°(0.11), 74.8°(0.09).
Generate atomic structure descrip... | JVASP-154519 | 5.10 5.10 9.77
90 90 120
K 0.000 0.000 0.000
K 0.000 0.000 0.500
Pu 0.333 0.667 0.250
Pu 0.667 0.333 0.750
C 0.667 0.333 0.250
C 0.333 0.667 0.750
O 0.813 0.627 0.250
O 0.373 0.187 0.250
O 0.813 0.187 0.250
O 0.187 0.373 0.750
O 0.627 0.813 0.750
O 0.187 0.813 0.750
O 0.333 0.667 0.438
O 0.667 0.333 0.938
O 0.667 0.333... |
Below is a description of a material. | The chemical formula is: Li2CoSiO4.
The XRD pattern shows main peaks at: 14.2°(1.0), 21.8°(0.39), 22.9°(0.3), 24.5°(0.09), 28.4°(0.64), 33.4°(0.41), 36.2°(0.51), 38.0°(0.32), 39.1°(0.16), 41.0°(0.15), 42.7°(0.06), 43.5°(0.08), 46.8°(0.06), 50.1°(0.16), 53.4°(0.06), 59.2°(0.15), 59.6°(0.17), 59.9°(0.14), 66.3°(0.29), 71... | JVASP-48882 | 5.35 4.96 6.24
90 90 90
Li 0.340 0.999 0.735
Li 0.163 0.497 0.500
Li 0.837 0.997 0.500
Li 0.660 0.499 0.265
Co 0.174 0.500 0.994
Co 0.826 1.000 0.006
Si 0.329 0.994 0.259
Si 0.671 0.494 0.741
O 0.186 0.097 0.029
O 0.183 0.106 0.468
O 0.323 0.660 0.250
O 0.622 0.102 0.251
O 0.378 0.602 0.749
O 0.677 0.160 0.750
O 0.817 ... |
Below is a description of a material. | The chemical formula is: Mo2RuIr.
The XRD pattern shows main peaks at: 11.4°(0.14), 34.3°(0.05), 39.9°(1.0), 46.3°(0.36), 46.8°(0.17), 67.9°(0.22), 81.5°(0.26), 86.2°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-188344 | 2.77 2.77 7.77
90 90 90
Ru 0.500 0.500 0.250
Mo -0.000 -0.000 0.004
Mo 0.000 -0.000 0.496
Ir 0.500 0.500 0.750 |
Below is a description of a material. | The chemical formula is: ErMgSn.
The XRD pattern shows main peaks at: 11.2°(0.34), 22.6°(0.39), 26.6°(0.14), 29.0°(1.0), 31.2°(0.4), 34.2°(0.27), 35.2°(0.29), 37.1°(0.75), 41.5°(0.56), 45.4°(0.33), 47.7°(0.2), 54.8°(0.31), 55.5°(0.17), 56.7°(0.14), 60.1°(0.18), 65.1°(0.09), 68.1°(0.18), 71.0°(0.14), 72.8°(0.25), 78.5°(... | JVASP-40898 | 4.35 4.35 8.45
104 104 90
Er 0.667 0.667 0.334
Er 0.333 0.333 0.666
Mg 0.500 0.000 0.000
Mg 0.000 0.500 0.000
Sn 0.138 0.138 0.275
Sn 0.862 0.862 0.725 |
Below is a description of a material. | The chemical formula is: Tb6OsI10.
The XRD pattern shows main peaks at: 9.9°(0.48), 10.2°(0.47), 11.4°(0.2), 12.3°(0.19), 13.2°(0.06), 17.5°(0.06), 20.3°(0.08), 25.2°(0.12), 28.7°(0.93), 29.2°(1.0), 29.4°(0.94), 41.1°(0.65), 42.0°(0.65), 50.9°(0.15), 51.5°(0.16), 51.9°(0.16), 52.2°(0.17), 59.5°(0.1), 68.1°(0.07), 68.5°... | JVASP-121327 | 7.66 9.59 9.65
107 97 105
Tb 0.359 0.131 0.171
Tb 0.641 0.869 0.829
Tb 0.974 0.286 0.086
Tb 0.026 0.714 0.914
Tb 0.887 0.962 0.246
Tb 0.113 0.038 0.754
Os 0.000 0.000 0.000
I 0.272 0.090 0.466
I 0.728 0.910 0.534
I 0.451 0.812 0.093
I 0.549 0.188 0.907
I 0.634 0.535 0.723
I 0.797 0.271 0.360
I 0.911 0.629 0.184
I 0.366... |
Below is a description of a material. | The chemical formula is: TaTiWC3.
The XRD pattern shows main peaks at: 11.6°(0.33), 23.3°(0.09), 33.2°(0.1), 35.3°(1.0), 41.0°(0.66), 49.3°(0.07), 59.4°(0.41), 71.0°(0.39), 74.7°(0.1), 88.9°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-110990 | 3.11 3.11 7.62
90 90 120
Ta 0.333 0.667 0.169
Ti 0.000 0.000 0.503
W 0.667 0.333 0.829
C 0.333 0.667 0.666
C 0.000 0.000 0.996
C 0.667 0.333 0.337 |
Below is a description of a material. | The chemical formula is: Ga2Au.
The XRD pattern shows main peaks at: 24.8°(0.78), 41.1°(1.0), 48.6°(0.41), 59.5°(0.16), 74.9°(0.34), 89.2°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-15055 | 4.39 4.39 4.39
60 60 59
Ga 0.750 0.750 0.750
Ga 0.250 0.250 0.250
Au 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Fe3Se4S2.
The XRD pattern shows main peaks at: 15.6°(0.15), 24.8°(0.47), 29.8°(0.12), 31.6°(1.0), 35.2°(0.84), 35.7°(0.73), 36.4°(0.6), 37.4°(0.63), 38.0°(0.13), 44.8°(0.34), 48.6°(0.59), 49.4°(0.8), 51.8°(0.52), 52.6°(0.12), 55.0°(0.64), 58.1°(0.12), 59.2°(0.12), 60.4°(0.15), 64.9°(0.22), 65.6... | JVASP-170633 | 3.53 7.51 10.90
99 90 90
Fe 0.500 0.830 0.661
Fe 0.500 0.501 0.002
Fe 0.500 0.162 0.328
Fe 0.000 0.334 0.673
Fe 0.000 1.000 0.007
Fe -0.000 0.666 0.332
Se 0.500 0.342 0.528
Se 0.500 0.009 0.862
Se -0.000 0.317 0.051
Se -0.000 0.981 0.379
Se -0.000 0.650 0.716
Se 0.000 0.685 0.954
Se 0.000 0.349 0.282
Se 0.000 0.016 0.6... |
Below is a description of a material. | The chemical formula is: Dy2MgS4.
The XRD pattern shows main peaks at: 15.1°(0.5), 21.8°(0.38), 26.0°(0.79), 26.6°(0.98), 33.4°(0.38), 34.8°(1.0), 40.3°(0.72), 41.3°(0.48), 42.5°(0.12), 49.6°(0.34), 56.0°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-146228 | 7.16 7.16 7.16
110 110 107
Dy 0.875 0.756 0.381
Dy 0.506 0.125 0.881
Dy 0.375 0.494 0.619
Dy 0.244 0.625 0.119
Mg 0.000 0.000 0.000
Mg 0.750 0.250 0.500
S 0.508 0.379 0.263
S 0.755 0.492 0.871
S 0.116 0.245 0.737
S 0.621 0.884 0.129
S 0.242 0.005 0.371
S 0.995 0.366 0.237
S 0.634 0.871 0.629
S 0.129 0.758 0.763 |
Below is a description of a material. | The chemical formula is: BeNiP2.
The XRD pattern shows main peaks at: 20.3°(0.34), 28.4°(0.32), 37.8°(0.15), 41.4°(0.28), 43.3°(1.0), 54.6°(0.24), 57.3°(0.09), 58.8°(0.07), 62.7°(0.06), 70.7°(0.22), 76.8°(0.18), 80.8°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-68191 | 4.97 4.97 4.97
140 140 57
Be 0.500 0.500 0.000
Ni 0.750 0.250 0.500
P 0.000 0.000 0.000
P 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: BaHfO3.
The XRD pattern shows main peaks at: 21.2°(0.06), 30.2°(1.0), 43.2°(0.29), 53.6°(0.42), 62.7°(0.17), 71.2°(0.18), 79.2°(0.06), 87.0°(0.21).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-174393 | 4.19 4.19 4.19
90 89 89
Ba 0.988 0.000 0.998
Hf 0.488 0.500 0.498
O 0.488 -0.000 0.498
O 0.988 0.500 0.498
O 0.488 0.500 0.998 |
Below is a description of a material. | The chemical formula is: ScGe2Rh2.
The XRD pattern shows main peaks at: 17.3°(0.51), 23.5°(0.16), 34.3°(0.3), 35.8°(1.0), 44.6°(0.56), 47.6°(0.56), 48.1°(0.13), 49.9°(0.14), 57.4°(0.13), 63.4°(0.12), 64.8°(0.18), 67.7°(0.05), 69.1°(0.1), 72.3°(0.07), 74.1°(0.06), 76.3°(0.19), 84.3°(0.22).
Generate atomic structure desc... | JVASP-155658 | 5.87 5.87 5.87
139 139 58
Sc 0.000 0.000 0.000
Ge 0.381 0.381 0.000
Ge 0.619 0.619 -0.000
Rh 0.750 0.250 0.500
Rh 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: MgPd3.
The XRD pattern shows main peaks at: 10.1°(0.32), 20.3°(0.1), 30.7°(0.09), 36.3°(0.08), 36.8°(0.07), 38.8°(1.0), 40.2°(0.09), 41.3°(0.29), 45.8°(0.65), 59.0°(0.05), 65.0°(0.23), 78.3°(0.12), 80.0°(0.24), 83.2°(0.1).
Generate atomic structure description with lattice lengths, angles, coor... | JVASP-106778 | 8.90 8.90 8.90
18 18 18
Mg 0.000 0.000 0.000
Pd 0.254 0.254 0.254
Pd 0.500 0.500 0.500
Pd 0.746 0.746 0.746 |
Below is a description of a material. | The chemical formula is: HfCuGe.
The XRD pattern shows main peaks at: 23.9°(0.09), 25.5°(0.22), 35.9°(0.63), 36.7°(0.29), 37.8°(1.0), 38.9°(0.23), 43.0°(0.34), 43.6°(0.15), 45.9°(0.29), 56.5°(0.19), 60.1°(0.14), 61.6°(0.12), 63.2°(0.08), 64.2°(0.1), 65.1°(0.09), 70.9°(0.2), 75.6°(0.07), 78.3°(0.06), 79.5°(0.12), 82.4°(... | JVASP-151904 | 3.96 6.49 7.44
90 90 90
Hf 0.250 0.013 0.808
Hf 0.750 0.487 0.308
Hf 0.750 0.987 0.192
Hf 0.250 0.513 0.692
Cu 0.250 0.168 0.423
Cu 0.750 0.332 0.923
Cu 0.750 0.832 0.577
Cu 0.250 0.668 0.077
Ge 0.250 0.775 0.396
Ge 0.750 0.725 0.896
Ge 0.750 0.225 0.604
Ge 0.250 0.275 0.104 |
Below is a description of a material. | The chemical formula is: BaScO2.
The XRD pattern shows main peaks at: 21.0°(0.29), 29.9°(0.36), 31.3°(1.0), 38.1°(0.25), 42.9°(0.27), 46.9°(0.11), 48.2°(0.08), 51.9°(0.06), 54.0°(0.4), 56.6°(0.13), 62.2°(0.09), 65.4°(0.15), 69.5°(0.06), 70.6°(0.07), 71.3°(0.09), 75.3°(0.07), 77.2°(0.07), 81.4°(0.08), 86.9°(0.11), 89.1°... | JVASP-133938 | 4.22 4.22 3.88
90 90 90
Ba 0.500 0.500 0.500
Sc 0.000 0.000 0.000
O 0.500 0.000 0.000
O 0.000 0.500 0.000 |
Below is a description of a material. | The chemical formula is: BaPtBr2.
The XRD pattern shows main peaks at: 21.0°(0.08), 25.0°(0.1), 32.9°(1.0), 35.7°(0.41), 41.8°(0.06), 42.8°(0.12), 51.4°(0.14), 56.9°(0.21), 62.4°(0.31), 69.0°(0.11), 72.1°(0.1), 85.0°(0.06), 86.5°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-65627 | 5.03 5.03 4.23
90 90 90
Ba 0.000 0.000 0.500
Pt 0.500 0.500 0.500
Br 0.500 0.000 0.000
Br 0.000 0.500 0.000 |
Below is a description of a material. | The chemical formula is: ZrSiRu2.
The XRD pattern shows main peaks at: 24.8°(0.11), 28.7°(0.1), 41.1°(1.0), 59.5°(0.16), 74.8°(0.37), 89.1°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-102446 | 4.40 4.40 4.40
60 60 60
Zr 0.000 0.000 0.000
Si 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: InP.
The XRD pattern shows main peaks at: 24.5°(0.51), 25.8°(0.41), 27.7°(1.0), 35.8°(0.24), 43.1°(0.42), 46.7°(0.46), 50.9°(0.35), 52.0°(0.17), 65.4°(0.16), 69.7°(0.14), 73.3°(0.11), 81.5°(0.18), 84.7°(0.08), 88.9°(0.07).
Generate atomic structure description with lattice lengths, angles, coor... | JVASP-85122 | 4.20 4.20 6.91
90 90 119
In 0.000 0.000 0.000
In 0.333 0.667 0.500
P 0.000 0.000 0.375
P 0.333 0.667 0.875 |
Below is a description of a material. | The chemical formula is: HoSiRu2C.
The XRD pattern shows main peaks at: 27.9°(0.17), 29.7°(0.36), 33.8°(0.74), 34.5°(0.42), 35.5°(1.0), 36.1°(0.37), 41.2°(0.3), 45.8°(0.14), 48.1°(0.27), 51.6°(0.11), 55.7°(0.1), 57.6°(0.13), 60.5°(0.16), 62.1°(0.26), 65.2°(0.17), 71.1°(0.07), 74.7°(0.1), 76.6°(0.08), 81.4°(0.09), 87.0°... | JVASP-86889 | 3.78 5.90 7.13
90 90 108
Ho 0.953 0.906 0.250
Ho 0.047 0.094 0.750
Si 0.231 0.463 0.250
Si 0.769 0.537 0.750
Ru 0.664 0.327 0.444
Ru 0.336 0.673 0.944
Ru 0.336 0.673 0.556
Ru 0.664 0.327 0.056
C 0.500 0.000 0.500
C 0.500 0.000 0.000 |
Below is a description of a material. | The chemical formula is: GaAgSe.
The XRD pattern shows main peaks at: 13.7°(1.0), 18.6°(0.73), 19.4°(0.1), 23.2°(0.61), 27.0°(0.09), 27.5°(0.24), 30.9°(0.2), 33.5°(0.29), 36.3°(0.27), 37.8°(0.12), 39.3°(0.08), 40.4°(0.13), 41.8°(0.14), 43.9°(0.12), 46.2°(0.22), 47.4°(0.11), 48.4°(0.13), 49.6°(0.1), 54.6°(0.13), 57.6°(0... | JVASP-114656 | 6.48 6.48 4.76
90 90 90
Ga 0.323 -0.000 0.000
Ag -0.009 -0.066 0.000
Se -0.000 0.338 0.000 |
Below is a description of a material. | The chemical formula is: Cd2OsC6N6.
The XRD pattern shows main peaks at: 20.9°(1.0), 26.7°(0.09), 28.0°(0.3), 35.1°(0.2), 39.1°(0.4), 43.9°(0.11), 45.5°(0.24), 49.5°(0.12), 52.8°(0.1), 57.1°(0.09), 62.8°(0.08), 64.8°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-86782 | 6.38 6.38 6.67
90 90 120
Cd 0.333 0.667 0.500
Cd 0.667 0.333 0.500
Os 0.000 0.000 0.000
C 1.000 0.749 0.816
C 0.251 0.251 0.816
C 0.749 0.000 0.816
C 0.251 1.000 0.184
C 0.749 0.749 0.184
C 0.000 0.251 0.184
N 0.612 0.612 0.303
N 0.000 0.388 0.303
N 0.612 0.000 0.697
N 0.388 1.000 0.303
N 1.000 0.612 0.697
N 0.388 0.38... |
Below is a description of a material. | The chemical formula is: Ca2CuSb.
The XRD pattern shows main peaks at: 20.8°(0.08), 24.1°(0.17), 34.3°(1.0), 42.4°(0.05), 49.3°(0.17), 55.6°(0.08), 61.4°(0.3), 72.3°(0.1), 82.5°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-182726 | 5.23 5.23 5.23
60 60 60
Ca 0.750 0.750 0.750
Ca 0.250 0.250 0.250
Cu 0.500 0.500 0.500
Sb 0.000 -0.000 0.000 |
Below is a description of a material. | The chemical formula is: ZrTl2PbSe4.
The XRD pattern shows main peaks at: 23.5°(0.11), 25.4°(0.16), 26.5°(0.06), 29.2°(1.0), 39.8°(0.25), 41.3°(0.11), 42.2°(0.12), 43.6°(0.22), 48.0°(0.06), 52.1°(0.11), 54.5°(0.05), 60.5°(0.1), 71.3°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates... | JVASP-147270 | 9.08 9.08 7.12
73 73 56
Zr 0.125 0.875 0.750
Zr 0.875 0.125 0.250
Tl 0.126 0.378 0.729
Tl 0.622 0.874 0.771
Tl 0.874 0.622 0.271
Tl 0.378 0.126 0.229
Pb 0.624 0.376 0.750
Pb 0.376 0.624 0.250
Se 0.003 0.797 0.504
Se 0.203 0.997 0.996
Se 0.997 0.203 0.496
Se 0.797 0.003 0.004
Se 0.236 0.546 0.968
Se 0.454 0.764 0.532
Se... |
Below is a description of a material. | The chemical formula is: Y3Os.
The XRD pattern shows main peaks at: 18.4°(0.72), 19.6°(0.56), 20.9°(0.98), 29.7°(0.29), 31.2°(0.48), 32.3°(0.93), 32.8°(0.39), 34.4°(1.0), 35.1°(0.99), 36.7°(0.36), 38.5°(0.8), 39.2°(0.48), 39.8°(0.3), 40.5°(0.57), 45.7°(0.2), 49.1°(0.47), 49.9°(0.28), 60.1°(0.24), 61.3°(0.23), 64.3°(0.2... | JVASP-137326 | 6.34 7.39 9.07
90 90 90
Y 0.333 0.675 0.063
Y 0.167 0.175 0.437
Y 0.667 0.325 0.563
Y 0.833 0.825 0.937
Y 0.667 0.325 0.937
Y 0.833 0.825 0.563
Y 0.333 0.675 0.437
Y 0.167 0.175 0.063
Y 0.871 0.539 0.250
Y 0.629 0.039 0.250
Y 0.129 0.461 0.750
Y 0.371 0.961 0.750
Os 0.040 0.883 0.250
Os 0.460 0.383 0.250
Os 0.960 0.117... |
Below is a description of a material. | The chemical formula is: MnBe3.
The XRD pattern shows main peaks at: 27.5°(1.0), 39.2°(0.71), 48.6°(0.56), 56.7°(0.26), 64.1°(0.29), 71.1°(0.21), 84.4°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-39210 | 3.25 3.25 3.25
90 90 90
Mn 0.000 0.000 0.000
Be 0.500 0.000 0.500
Be 0.000 0.500 0.500
Be 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: BPbO2.
The XRD pattern shows main peaks at: 14.2°(1.0), 28.7°(0.26), 31.2°(0.41), 34.4°(0.73), 42.9°(0.39), 43.6°(0.11), 44.7°(0.23), 47.1°(0.24), 53.9°(0.19), 54.6°(0.18), 64.2°(0.13), 65.0°(0.08), 66.9°(0.09), 68.6°(0.08), 72.5°(0.08), 73.8°(0.07), 75.7°(0.15), 77.2°(0.07), 81.0°(0.13), 84.8°... | JVASP-115487 | 2.87 2.87 6.23
90 90 90
B 0.500 0.500 0.599
Pb 0.000 0.000 0.109
O 0.000 0.000 0.499
O 0.500 0.500 0.803 |
Below is a description of a material. | The chemical formula is: Cr2Si.
The XRD pattern shows main peaks at: 21.8°(0.12), 32.6°(0.07), 43.9°(0.59), 45.6°(1.0), 63.8°(0.18), 69.2°(0.06), 81.9°(0.32), 85.6°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-186285 | 2.92 2.92 4.57
71 71 90
Cr 0.673 0.673 0.653
Cr 0.327 0.327 0.347
Si -0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Ba2ZnSe.
The XRD pattern shows main peaks at: 22.0°(0.08), 31.4°(1.0), 45.0°(0.18), 55.9°(0.36), 65.5°(0.12), 74.4°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-180316 | 5.70 5.70 5.70
60 60 60
Ba 0.250 0.250 0.250
Ba 0.750 0.750 0.750
Zn -0.000 -0.000 0.000
Se 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Hf5GaSn3.
The XRD pattern shows main peaks at: 30.7°(0.09), 31.7°(0.14), 35.4°(0.69), 36.1°(0.78), 37.3°(1.0), 46.6°(0.14), 52.9°(0.27), 56.0°(0.14), 57.7°(0.18), 58.8°(0.1), 64.0°(0.09), 65.7°(0.13), 75.8°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates a... | JVASP-133258 | 8.62 8.62 5.82
90 90 120
Hf 0.733 0.733 0.750
Hf 0.667 0.333 0.500
Hf 0.333 0.667 0.000
Hf 0.667 0.333 0.000
Hf 0.000 0.733 0.250
Hf 0.333 0.667 0.500
Hf 0.267 0.267 0.250
Hf -0.000 0.267 0.750
Hf 0.267 -0.000 0.750
Hf 0.733 0.000 0.250
Ga 0.000 0.000 0.000
Ga 0.000 0.000 0.500
Sn 0.388 -0.000 0.250
Sn 0.388 0.388 0.75... |
Below is a description of a material. | The chemical formula is: RbSeBr3.
The XRD pattern shows main peaks at: 19.5°(0.14), 22.1°(0.16), 24.3°(0.22), 25.6°(0.22), 28.6°(1.0), 30.3°(0.18), 30.9°(0.12), 34.6°(0.13), 35.4°(0.19), 37.4°(0.19), 39.6°(0.13), 41.5°(0.09), 42.0°(0.23), 43.7°(0.09), 45.1°(0.09), 53.7°(0.19), 55.5°(0.1), 56.1°(0.11), 57.4°(0.08), 57.9... | JVASP-36905 | 5.22 8.60 7.66
90 97 90
Rb 0.214 0.750 0.660
Rb 0.786 0.250 0.340
Se 0.000 0.500 0.000
Se 0.000 0.000 0.000
Br 0.283 0.507 0.308
Br 0.717 0.007 0.692
Br 0.283 -0.007 0.308
Br 0.717 0.493 0.692
Br 0.747 0.750 0.087
Br 0.253 0.250 0.913 |
Below is a description of a material. | The chemical formula is: OsRu.
The XRD pattern shows main peaks at: 20.5°(0.12), 37.9°(0.28), 41.7°(0.24), 43.4°(1.0), 57.6°(0.17), 68.4°(0.16), 77.3°(0.19), 83.4°(0.19), 84.5°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-132741 | 2.74 2.74 4.33
90 90 119
Os 0.667 0.333 0.750
Ru 0.333 0.667 0.250 |
Below is a description of a material. | The chemical formula is: H.
The XRD pattern shows main peaks at: 33.6°(1.0), 37.4°(0.42), 53.9°(0.06), 65.0°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-25288 | 3.22 3.22 3.22
116 116 96
H 0.912 0.912 0.000
H 0.088 0.088 0.000 |
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