LiC2O5
Alexandria ALEXAlex-ID: agm005491247 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5_746_spg1
Li2CO3 CO2 LiO8
2023-03-21 03:11:04.963872
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005491247).
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 agm005491247
data_agm005491247
_cell_length_a 3.45811
_cell_length_b 5.18980
_cell_length_c 7.57458
_cell_angle_alpha 72.89275
_cell_angle_beta 78.73682
_cell_angle_gamma 76.52635
_cell_volume 125.16878
_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 0.47650 0.40420 0.47168 1.00000
C1 C 0.15454 0.02383 0.35677 1.00000
C2 C 0.46525 0.43896 0.87116 1.00000
O1 O 0.07433 0.05527 0.19362 1.00000
O2 O 0.05608 0.23396 0.42677 1.00000
O3 O 0.32640 0.79122 0.44620 1.00000
O4 O 0.41185 0.31450 0.77311 1.00000
O5 O 0.52072 0.56525 0.96581 1.00000
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