LiCuAg3
Alexandria ALEXAlex-ID: agm005777852 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_6232_spg2
LiAg3 Cu
2023-07-07 20:28:35.995252
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005777852).
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 agm005777852
data_agm005777852
_cell_length_a 2.87371
_cell_length_b 7.42917
_cell_length_c 10.29083
_cell_angle_alpha 76.75501
_cell_angle_beta 113.24033
_cell_angle_gamma 67.89796
_cell_volume 167.63747
_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 0.79727 0.41210 0.78747 1.00000
Li2 Li 0.71859 0.80554 0.30807 1.00000
Cu1 Cu 0.47468 0.17329 0.40283 1.00000
Cu2 Cu 0.03921 0.04485 0.69304 1.00000
Ag1 Ag 0.93799 0.41295 0.52852 1.00000
Ag2 Ag 0.57649 0.80505 0.56704 1.00000
Ag3 Ag 0.19026 0.69392 0.89499 1.00000
Ag4 Ag 0.94911 0.24128 0.09957 1.00000
Ag5 Ag 0.56765 0.97629 0.99615 1.00000
Ag6 Ag 0.32537 0.52368 0.20055 1.00000
Get direct link