Li4GaAu2
Alexandria ALEXAlex-ID: agm006011503 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_1261_spg166
Li2GaAu Li5Au3 Li3Au
2023-10-13 18:04:16
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006011503).
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 agm006011503
data_agm006011503
_cell_length_a 4.43992
_cell_length_b 4.43992
_cell_length_c 7.03173
_cell_angle_alpha 71.95650
_cell_angle_beta 71.95663
_cell_angle_gamma 59.98326
_cell_volume 112.08655
_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 0.86377 0.86377 0.40866 1.00000
Li2 Li 0.13623 0.13623 0.59134 1.00000
Li3 Li 0.58735 0.58735 0.23852 1.00000
Li4 Li 0.41265 0.41265 0.76148 1.00000
Ga1 Ga 0.00000 0.00000 0.00000 1.00000
Au1 Au 0.72909 0.72909 0.81321 1.00000
Au2 Au 0.27091 0.27091 0.18679 1.00000
Get direct link