Co2ClO3
Alexandria ALEXAlex-ID: agm005268340 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_692_spg166
Co3O4 CoCl3 Cl2O
2023-05-05 07:26:10.038018
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005268340).
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 agm005268340
data_agm005268340
_cell_length_a 5.67232
_cell_length_b 5.67232
_cell_length_c 5.67232
_cell_angle_alpha 66.66297
_cell_angle_beta 66.66297
_cell_angle_gamma 66.66297
_cell_volume 147.54447
_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 0.50000 0.50000 0.50000 1.00000
Co2 Co 0.50000 0.50000 0.00000 1.00000
Co3 Co 0.50000 0.00000 0.50000 1.00000
Co4 Co 0.00000 0.50000 0.50000 1.00000
Cl1 Cl 0.78713 0.78713 0.78713 1.00000
Cl2 Cl 0.21287 0.21287 0.21287 1.00000
O1 O 0.32878 0.72884 0.72884 1.00000
O2 O 0.72884 0.72884 0.32878 1.00000
O3 O 0.72884 0.32878 0.72884 1.00000
O4 O 0.67122 0.27116 0.27116 1.00000
O5 O 0.27116 0.27116 0.67122 1.00000
O6 O 0.27116 0.67122 0.27116 1.00000
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