HgBiSb
Alexandria ALEXAlex-ID: agm005647322 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_692_spg11
BiSb Hg
2023-06-18 09:15:17.875571
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005647322).
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 agm005647322
data_agm005647322
_cell_length_a 4.29857
_cell_length_b 7.38479
_cell_length_c 8.44078
_cell_angle_alpha 55.37496
_cell_angle_beta 90.03894
_cell_angle_gamma 90.04567
_cell_volume 220.48800
_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 0.75092 0.26892 0.72885 1.00000
Hg2 Hg 0.24908 0.73108 0.27115 1.00000
Bi1 Bi 0.75018 0.66852 0.96117 1.00000
Bi2 Bi 0.24982 0.33148 0.03883 1.00000
Sb1 Sb 0.74984 0.84419 0.54208 1.00000
Sb2 Sb 0.25016 0.15581 0.45792 1.00000
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