Hg5Sb2Au5
Alexandria ALEXAlex-ID: agm005667690 · 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
A2B5C5_55_spg12
SbAu Hg Au
2023-06-19 06:37:02.769014
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005667690).
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 agm005667690
data_agm005667690
_cell_length_a 3.70597
_cell_length_b 7.03402
_cell_length_c 12.51693
_cell_angle_alpha 107.70337
_cell_angle_beta 90.00042
_cell_angle_gamma 105.27327
_cell_volume 298.71741
_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 0.50000 0.00000 0.50000 1.00000
Hg2 Hg 0.66746 0.33493 0.07952 1.00000
Hg3 Hg 0.75955 0.51909 0.35210 1.00000
Hg4 Hg 0.24045 0.48091 0.64790 1.00000
Hg5 Hg 0.33254 0.66507 0.92048 1.00000
Sb1 Sb 0.02515 0.05031 0.79186 1.00000
Sb2 Sb 0.97485 0.94969 0.20814 1.00000
Au1 Au 0.12013 0.24023 0.41405 1.00000
Au2 Au 0.67411 0.34823 0.80299 1.00000
Au3 Au 0.32589 0.65177 0.19701 1.00000
Au4 Au 0.87987 0.75977 0.58595 1.00000
Au5 Au 0.00000 0.00000 0.00000 1.00000
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