Li2GaAu3
Alexandria ALEXAlex-ID: agm005716630 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_57_spg65
LiGaAu2 Li4GaAu5
2023-08-22 07:14:20.448428
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005716630).
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 agm005716630
data_agm005716630
_cell_length_a 3.48654
_cell_length_b 4.26484
_cell_length_c 6.78340
_cell_angle_alpha 108.32202
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 95.75247
_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 0.00000 0.33352 0.66705 1.00000
Li2 Li 0.00000 0.66648 0.33295 1.00000
Ga1 Ga 0.00000 0.00000 0.00000 1.00000
Au1 Au 0.50000 0.50000 0.00000 1.00000
Au2 Au 0.50000 0.82937 0.65875 1.00000
Au3 Au 0.50000 0.17063 0.34125 1.00000
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