CsLiO2
Alexandria ALEXAlex-ID: agm002219087 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_431_spg15
Cs2O3 Li2O
2018-07-03 06:58:24
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002219087).
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
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# CIF generated by HEAS from Alexandria entry agm002219087
data_agm002219087
_cell_length_a 5.52827
_cell_length_b 5.52827
_cell_length_c 6.81215
_cell_angle_alpha 107.68920
_cell_angle_beta 107.68920
_cell_angle_gamma 107.56176
_cell_volume 170.23210
_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
Cs1 Cs 0.36232 0.63768 0.75000 1.00000
Cs2 Cs 0.63768 0.36232 0.25000 1.00000
O1 O 0.85277 0.99790 0.45237 1.00000
O2 O 0.00210 0.14723 0.04763 1.00000
O3 O 0.99790 0.85277 0.95237 1.00000
O4 O 0.14723 0.00210 0.54763 1.00000
Li1 Li 0.97465 0.02535 0.75000 1.00000
Li2 Li 0.02535 0.97465 0.25000 1.00000
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