LiCeAg
Alexandria ALEXAlex-ID: agm005703148 · Space group: P4/nmm (#129)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_9911_spg59
Ce LiAg
2023-06-17 17:52:10.731638
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005703148).
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 agm005703148
data_agm005703148
_cell_length_a 3.94688
_cell_length_b 3.98219
_cell_length_c 8.75602
_cell_angle_alpha 89.99898
_cell_angle_beta 89.99929
_cell_angle_gamma 89.99195
_cell_volume 137.62051
_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 0.87261 0.11027 0.94474 1.00000
Li2 Li 0.37263 0.61027 0.94261 1.00000
Ce1 Ce 0.37263 0.11030 0.31962 1.00000
Ce2 Ce 0.87259 0.61025 0.56773 1.00000
Ag1 Ag 0.37259 0.11025 0.71973 1.00000
Ag2 Ag 0.87264 0.61029 0.16762 1.00000
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