Hg4Bi8Ir
Alexandria ALEXAlex-ID: agm097789433 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_543_spg12
Hg Hg(Bi3Ir)4 Bi
2025-06-16 04:14:38
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097789433).
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 agm097789433
data_agm097789433
_cell_length_a 5.62514
_cell_length_b 8.72170
_cell_length_c 8.86766
_cell_angle_alpha 62.40365
_cell_angle_beta 88.15608
_cell_angle_gamma 89.74772
_cell_volume 385.33288
_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 0.99899 0.95987 0.05484 1.00000
Hg2 Hg 0.11216 0.50799 0.02929 1.00000
Hg3 Hg 0.96291 0.56884 0.44146 1.00000
Hg4 Hg 0.91682 0.97510 0.45451 1.00000
Bi1 Bi 0.65494 0.22392 0.12689 1.00000
Bi2 Bi 0.62376 0.64462 0.14130 1.00000
Bi3 Bi 0.69436 0.62039 0.74487 1.00000
Bi4 Bi 0.74242 0.17186 0.67185 1.00000
Bi5 Bi 0.38623 0.83132 0.36029 1.00000
Bi6 Bi 0.31284 0.28119 0.39827 1.00000
Bi7 Bi 0.28761 0.33178 0.80003 1.00000
Bi8 Bi 0.30890 0.88508 0.77358 1.00000
Ir1 Ir 0.49804 0.99799 0.00282 1.00000
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