LiLaCo
Alexandria ALEXAlex-ID: agm005602280 · Space group: P-3m1 (#164)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_16_spg194
Li LaCo
2023-06-19 10:36:35.824725
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005602280).
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 agm005602280
data_agm005602280
_cell_length_a 3.96297
_cell_length_b 3.95780
_cell_length_c 11.32566
_cell_angle_alpha 90.00039
_cell_angle_beta 89.88742
_cell_angle_gamma 60.04269
_cell_volume 153.90560
_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 0.62871 0.97884 0.71173 1.00000
Li2 Li 0.96160 0.31259 0.86976 1.00000
La1 La 0.29425 0.64584 0.45951 1.00000
La2 La 0.29675 0.64442 0.12211 1.00000
Co1 Co 0.62883 0.97836 0.29017 1.00000
Co2 Co 0.96233 0.31162 0.29143 1.00000
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