Hg2Pb7Au2
Alexandria ALEXAlex-ID: agm005570039 · 空间群: Imm2 (#44)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C7_304_spg44
Pb2Au Hg Pb
2023-06-03 23:44:49.258944
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005570039).
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}
}
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# CIF generated by HEAS from Alexandria entry agm005570039
data_agm005570039
_cell_length_a 3.80366
_cell_length_b 10.25162
_cell_length_c 10.25162
_cell_angle_alpha 54.96756
_cell_angle_beta 79.30880
_cell_angle_gamma 79.30878
_cell_volume 320.08800
_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
Hg1 Hg 0.75570 0.84056 0.64805 1.00000
Hg2 Hg 0.24430 0.35195 0.15944 1.00000
Pb1 Pb 0.84220 0.05531 0.26029 1.00000
Pb2 Pb 0.87204 0.40336 0.85256 1.00000
Pb3 Pb 0.50000 0.02048 0.97952 1.00000
Pb4 Pb 0.59650 0.49957 0.30743 1.00000
Pb5 Pb 0.40350 0.69257 0.50043 1.00000
Pb6 Pb 0.15780 0.73971 0.94469 1.00000
Pb7 Pb 0.12796 0.14744 0.59664 1.00000
Au1 Au 0.00000 0.76919 0.23081 1.00000
Au2 Au 0.50000 0.33374 0.66626 1.00000
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