LiSiAu
Alexandria ALEXAlex-ID: agm003201792 · Space group: Imm2 (#44)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_33_spg12
Li5Si2Au5 Si
2021-12-03 02:30:29.564858
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003201792).
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 agm003201792
data_agm003201792
_cell_length_a 5.33978
_cell_length_b 5.33970
_cell_length_c 4.25168
_cell_angle_alpha 113.64420
_cell_angle_beta 113.64586
_cell_angle_gamma 74.62425
_cell_volume 100.93843
_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
Si1 Si 0.88442 0.60945 0.38861 1.00000
Si2 Si 0.51410 0.97982 0.38866 1.00000
Au1 Au 0.10464 0.73106 0.06067 1.00000
Au2 Au 0.63591 0.20001 0.06080 1.00000
Li1 Li 0.48910 0.58523 0.67960 1.00000
Li2 Li 0.06638 0.16036 0.75724 1.00000
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