Hg4BiPb
Alexandria ALEXAlex-ID: agm005753665 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_3054_spg2
Hg Bi Pb
2023-07-28 12:20:46.930396
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005753665).
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
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm005753665
data_agm005753665
_cell_length_a 4.57076
_cell_length_b 11.41512
_cell_length_c 9.75478
_cell_angle_alpha 156.62874
_cell_angle_beta 67.33129
_cell_angle_gamma 109.11600
_cell_volume 185.82085
_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 0.27655 0.40094 0.55268 1.00000
Hg2 Hg 0.21995 0.09551 0.94310 1.00000
Hg3 Hg 0.78005 0.90449 0.05690 1.00000
Hg4 Hg 0.72345 0.59906 0.44732 1.00000
Bi1 Bi 0.50000 0.00000 0.50000 1.00000
Pb1 Pb 0.00000 0.50000 0.00000 1.00000
