K4Ce3O8
Alexandria ALEXAlex-ID: agm005705219 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C8_7_spg166
CeO2 K2CeO3
2023-06-29 18:24:12.329568
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005705219).
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 agm005705219
data_agm005705219
_cell_length_a 7.21855
_cell_length_b 7.21855
_cell_length_c 7.77084
_cell_angle_alpha 62.32435
_cell_angle_beta 62.32436
_cell_angle_gamma 60.00001
_cell_volume 295.97117
_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
K1 K 0.00000 0.00000 0.00000 1.00000
K2 K 0.35279 0.35279 0.94162 1.00000
K3 K 0.50000 0.50000 0.50000 1.00000
K4 K 0.64721 0.64721 0.05838 1.00000
Ce1 Ce 0.50000 0.00000 0.50000 1.00000
Ce2 Ce 0.00000 0.00000 0.50000 1.00000
Ce3 Ce 0.00000 0.50000 0.50000 1.00000
O1 O 0.22250 0.22250 0.33250 1.00000
O2 O 0.18225 0.74497 0.32780 1.00000
O3 O 0.74497 0.74497 0.32780 1.00000
O4 O 0.74497 0.18225 0.32780 1.00000
O5 O 0.77750 0.77750 0.66750 1.00000
O6 O 0.81775 0.25503 0.67220 1.00000
O7 O 0.25503 0.25503 0.67220 1.00000
O8 O 0.25503 0.81775 0.67220 1.00000
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