Ce8C3O4
Alexandria ALEXAlex-ID: agm005705107 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C8_7_spg166
Ce3CO2 Ce2C3 Ce
2023-06-29 18:04:00.222297
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005705107).
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 agm005705107
data_agm005705107
_cell_length_a 7.12791
_cell_length_b 7.12791
_cell_length_c 7.52787
_cell_angle_alpha 61.74251
_cell_angle_beta 61.74251
_cell_angle_gamma 60.00000
_cell_volume 277.35163
_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
Ce1 Ce 0.24212 0.24212 0.27363 1.00000
Ce2 Ce 0.24333 0.74649 0.26370 1.00000
Ce3 Ce 0.74649 0.74649 0.26370 1.00000
Ce4 Ce 0.74649 0.24333 0.26370 1.00000
Ce5 Ce 0.75788 0.75788 0.72637 1.00000
Ce6 Ce 0.75667 0.25351 0.73630 1.00000
Ce7 Ce 0.25351 0.25351 0.73630 1.00000
Ce8 Ce 0.25351 0.75667 0.73630 1.00000
C1 C 0.50000 0.00000 0.50000 1.00000
C2 C 0.00000 0.00000 0.50000 1.00000
C3 C 0.00000 0.50000 0.50000 1.00000
O1 O 0.00000 0.00000 0.00000 1.00000
O2 O 0.36001 0.36001 0.91997 1.00000
O3 O 0.50000 0.50000 0.50000 1.00000
O4 O 0.63999 0.63999 0.08003 1.00000
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