CsKO2
Alexandria ALEXAlex-ID: agm078760282 · Space group: P2_12_12_1 (#19)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_165_spg62
CsKO2
2025-01-09 21:07:26
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm078760282).
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 agm078760282
data_agm078760282
_cell_length_a 4.78984
_cell_length_b 6.24396
_cell_length_c 14.38750
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 430.29477
_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 0.78324 0.06648 0.69771 1.00000
Cs2 Cs 0.71676 0.93352 0.19771 1.00000
Cs3 Cs 0.28324 0.43352 0.30229 1.00000
Cs4 Cs 0.21676 0.56648 0.80229 1.00000
K1 K 0.11297 0.91419 0.45801 1.00000
K2 K 0.38703 0.08581 0.95801 1.00000
K3 K 0.61297 0.58581 0.54199 1.00000
K4 K 0.88703 0.41419 0.04199 1.00000
O1 O 0.79879 0.64818 0.36256 1.00000
O2 O 0.70121 0.35182 0.86256 1.00000
O3 O 0.29879 0.85182 0.63744 1.00000
O4 O 0.20121 0.14818 0.13744 1.00000
O5 O 0.40362 0.32321 0.11033 1.00000
O6 O 0.09638 0.67679 0.61033 1.00000
O7 O 0.90362 0.17679 0.88967 1.00000
O8 O 0.59638 0.82321 0.38967 1.00000
Get direct link