LiHg2Sb
Alexandria ALEXAlex-ID: agm005653272 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_9242_spg166
Sb Hg Li2Sb
2023-07-12 05:40:43.183472
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005653272).
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 agm005653272
data_agm005653272
_cell_length_a 3.29821
_cell_length_b 5.70731
_cell_length_c 10.44833
_cell_angle_alpha 102.24574
_cell_angle_beta 90.00001
_cell_angle_gamma 90.00002
_cell_volume 192.20335
_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
Li1 Li 0.25000 0.74993 0.49983 1.00000
Li2 Li 0.75000 0.25007 0.50017 1.00000
Hg1 Hg 0.75000 0.83940 0.29340 1.00000
Hg2 Hg 0.25000 0.33824 0.29341 1.00000
Hg3 Hg 0.75000 0.66176 0.70659 1.00000
Hg4 Hg 0.25000 0.16060 0.70660 1.00000
Sb1 Sb 0.25000 0.25750 0.00007 1.00000
Sb2 Sb 0.75000 0.74250 0.99993 1.00000
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