Sb2Pb4Au
Alexandria ALEXAlex-ID: agm005994834 · 空间群: Cc (#9)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C4_905_spg9
Pb2Au Sb Pb
2023-10-15 19:46:52
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005994834).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
晶体结构 3D 渲染
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# CIF generated by HEAS from Alexandria entry agm005994834
data_agm005994834
_cell_length_a 6.89722
_cell_length_b 8.35609
_cell_length_c 9.12806
_cell_angle_alpha 112.28337
_cell_angle_beta 106.41733
_cell_angle_gamma 102.02407
_cell_volume 436.45526
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Sb1 Sb 0.23430 0.58511 0.05296 1.00000
Sb2 Sb 0.59471 0.08921 0.87532 1.00000
Sb3 Sb 0.93139 0.78105 0.44624 1.00000
Sb4 Sb 0.46968 0.46409 0.62502 1.00000
Pb1 Pb 0.15507 0.81164 0.81929 1.00000
Pb2 Pb 0.75136 0.52525 0.99752 1.00000
Pb3 Pb 0.01490 0.39759 0.33909 1.00000
Pb4 Pb 0.50483 0.77778 0.50235 1.00000
Pb5 Pb 0.23462 0.00114 0.31566 1.00000
Pb6 Pb 0.66931 0.93544 0.18483 1.00000
Pb7 Pb 0.08583 0.24242 0.68057 1.00000
Pb8 Pb 0.42609 0.30942 0.16131 1.00000
Au1 Au 0.70235 0.27858 0.47688 1.00000
Au2 Au 0.97555 0.05127 0.02296 1.00000
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