Hg(Bi2Au)4
Alexandria ALEXAlex-ID: agm097342185 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_158_spg12
Bi2Au Hg
2025-06-02 10:27:13
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097342185).
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}
}
3D Crystal Structure Rendering
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# CIF generated by HEAS from Alexandria entry agm097342185
data_agm097342185
_cell_length_a 5.51059
_cell_length_b 9.03611
_cell_length_c 8.82972
_cell_angle_alpha 60.75609
_cell_angle_beta 90.00622
_cell_angle_gamma 86.10881
_cell_volume 382.46909
_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 0.45001 0.03112 0.98467 1.00000
Bi1 Bi 0.76235 0.18608 0.17380 1.00000
Bi2 Bi 0.71034 0.62246 0.18864 1.00000
Bi3 Bi 0.72919 0.68759 0.65612 1.00000
Bi4 Bi 0.76230 0.18621 0.64017 1.00000
Bi5 Bi 0.24966 0.80219 0.36033 1.00000
Bi6 Bi 0.28934 0.31872 0.34063 1.00000
Bi7 Bi 0.31712 0.41247 0.79364 1.00000
Bi8 Bi 0.24958 0.80208 0.83770 1.00000
Au1 Au 0.95822 0.95992 0.01999 1.00000
Au2 Au 0.00003 0.49495 0.00102 1.00000
Au3 Au 0.00000 0.49513 0.50372 1.00000
Au4 Au 0.02186 0.00110 0.49956 1.00000
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