Al4Hg8As
Alexandria ALEXAlex-ID: agm097615264 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_1689_spg1
Al Hg AlAs
2025-06-02 03:41:24
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097615264).
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 agm097615264
data_agm097615264
_cell_length_a 4.02991
_cell_length_b 9.35966
_cell_length_c 9.63337
_cell_angle_alpha 58.77018
_cell_angle_beta 90.14521
_cell_angle_gamma 90.25126
_cell_volume 310.70168
_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
Al1 Al 0.18013 0.93575 0.97224 1.00000
Al2 Al 0.19642 0.37270 0.19606 1.00000
Al3 Al 0.69506 0.40467 0.66899 1.00000
Al4 Al 0.19321 0.00844 0.43155 1.00000
Hg1 Hg 0.69317 0.17000 0.17741 1.00000
Hg2 Hg 0.69623 0.62567 0.11185 1.00000
Hg3 Hg 0.69157 0.74045 0.56328 1.00000
Hg4 Hg 0.69476 0.13003 0.56422 1.00000
Hg5 Hg 0.19267 0.80375 0.28998 1.00000
Hg6 Hg 0.19496 0.41781 0.46300 1.00000
Hg7 Hg 0.19228 0.45516 0.86547 1.00000
Hg8 Hg 0.19686 0.82026 0.77651 1.00000
As1 As 0.68268 0.11532 0.91944 1.00000
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