Co2O3F
Alexandria ALEXAlex-ID: agm005257940 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_109_spg74
Co(OF)2 Co3O4
2023-05-05 07:25:25.821598
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005257940).
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 agm005257940
data_agm005257940
_cell_length_a 5.27940
_cell_length_b 5.27940
_cell_length_c 5.27940
_cell_angle_alpha 111.85919
_cell_angle_beta 110.04658
_cell_angle_gamma 106.55223
_cell_volume 113.02554
_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
Co1 Co 0.97260 0.22121 0.74861 1.00000
Co2 Co 0.49993 0.49853 0.49860 1.00000
Co3 Co 0.02740 0.77601 0.24861 1.00000
Co4 Co 0.50007 0.99867 0.99860 1.00000
O1 O 0.68967 0.93822 0.74855 1.00000
O2 O 0.31033 0.05888 0.24855 1.00000
O3 O 0.80580 0.49851 0.80454 1.00000
O4 O 0.80604 0.99874 0.30454 1.00000
O5 O 0.19396 0.49851 0.19271 1.00000
O6 O 0.19420 0.99874 0.69271 1.00000
F1 F 0.72054 0.46925 0.24871 1.00000
F2 F 0.27946 0.52817 0.74871 1.00000
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