Hg2Pb5Au4
Alexandria ALEXAlex-ID: agm005654788 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B4C5_176_spg12
Pb2Au Hg PbAu
2023-06-21 11:24:41.554074
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005654788).
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 agm005654788
data_agm005654788
_cell_length_a 3.76366
_cell_length_b 8.02579
_cell_length_c 9.99930
_cell_angle_alpha 91.74981
_cell_angle_beta 100.84754
_cell_angle_gamma 90.00004
_cell_volume 296.50222
_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 0.44162 0.37284 0.88324 1.00000
Hg2 Hg 0.55838 0.62716 0.11676 1.00000
Pb1 Pb 0.82219 0.52605 0.64438 1.00000
Pb2 Pb 0.17781 0.47395 0.35562 1.00000
Pb3 Pb 0.83168 0.96654 0.66336 1.00000
Pb4 Pb 0.50000 0.00000 0.00000 1.00000
Pb5 Pb 0.16832 0.03346 0.33664 1.00000
Au1 Au 0.29883 0.23601 0.59766 1.00000
Au2 Au 0.94807 0.72857 0.89614 1.00000
Au3 Au 0.70117 0.76399 0.40234 1.00000
Au4 Au 0.05193 0.27143 0.10386 1.00000
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