CsK3O2
Alexandria ALEXAlex-ID: agm077621635 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_409_spg12
Cs2O K2O
2025-01-12 22:02:49
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm077621635).
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 agm077621635
data_agm077621635
_cell_length_a 7.19294
_cell_length_b 4.31410
_cell_length_c 11.36227
_cell_angle_alpha 90.00000
_cell_angle_beta 102.83232
_cell_angle_gamma 90.00000
_cell_volume 343.77705
_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 0.06808 0.25000 0.13543 1.00000
Cs2 Cs 0.93192 0.75000 0.86457 1.00000
K1 K 0.62945 0.25000 0.59470 1.00000
K2 K 0.37055 0.75000 0.40530 1.00000
K3 K 0.44108 0.75000 0.88926 1.00000
K4 K 0.55892 0.25000 0.11074 1.00000
K5 K 0.76629 0.75000 0.32149 1.00000
K6 K 0.23371 0.25000 0.67851 1.00000
O1 O 0.43558 0.75000 0.64485 1.00000
O2 O 0.56442 0.25000 0.35515 1.00000
O3 O 0.78561 0.75000 0.08609 1.00000
O4 O 0.21439 0.25000 0.91391 1.00000
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