LiErAu4
Alexandria ALEXAlex-ID: agm005791550 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1111_spg65
ErAu3 LiAu
2023-07-29 00:17:23.371589
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005791550).
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 agm005791550
data_agm005791550
_cell_length_a 5.09581
_cell_length_b 5.13874
_cell_length_c 5.12497
_cell_angle_alpha 59.91015
_cell_angle_beta 90.11007
_cell_angle_gamma 90.22533
_cell_volume 116.11677
_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 0.00115 0.50180 0.49551 1.00000
Er1 Er 0.50134 0.00193 0.49540 1.00000
Au1 Au 0.50128 0.66405 0.17118 1.00000
Au2 Au 0.50135 0.33983 0.81961 1.00000
Au3 Au 0.00136 0.17041 0.15816 1.00000
Au4 Au 0.00131 0.83315 0.83268 1.00000
