Li(CoO2)2
Alexandria ALEXAlex-ID: agm005232170 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_818_spg12
LiCoO2 Co3O4 LiO8
2023-05-06 16:27:31.591556
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005232170).
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 agm005232170
data_agm005232170
_cell_length_a 9.94806
_cell_length_b 9.94806
_cell_length_c 4.85715
_cell_angle_alpha 86.71603
_cell_angle_beta 86.71603
_cell_angle_gamma 16.31762
_cell_volume 134.82695
_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 0.87574 0.87574 0.21843 1.00000
Li2 Li 0.12426 0.12426 0.78157 1.00000
Co1 Co 0.74629 0.74629 0.25363 1.00000
Co2 Co 0.25371 0.25371 0.74637 1.00000
Co3 Co 0.50000 0.50000 0.00000 1.00000
Co4 Co 0.00000 0.00000 0.50000 1.00000
O1 O 0.29959 0.29959 0.08105 1.00000
O2 O 0.80018 0.80018 0.56278 1.00000
O3 O 0.70041 0.70041 0.91895 1.00000
O4 O 0.19982 0.19982 0.43722 1.00000
O5 O 0.55132 0.55132 0.66084 1.00000
O6 O 0.04978 0.04978 0.14887 1.00000
O7 O 0.44868 0.44868 0.33916 1.00000
O8 O 0.95022 0.95022 0.85113 1.00000
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