Co(CuO3)2
Alexandria ALEXAlex-ID: agm005502969 · Space group: Fmmm (#69)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_439_spg69
Cu5O6 CuO5 Co3O4
2023-03-20 08:37:54.120842
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005502969).
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
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# CIF generated by HEAS from Alexandria entry agm005502969
data_agm005502969
_cell_length_a 6.59418
_cell_length_b 6.10060
_cell_length_c 5.25570
_cell_angle_alpha 70.54648
_cell_angle_beta 60.73116
_cell_angle_gamma 48.72237
_cell_volume 138.59048
_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 0.00000 0.00000 0.00000 1.00000
Cu1 Cu 0.66798 0.33202 0.66798 1.00000
Cu2 Cu 0.33202 0.66798 0.33202 1.00000
O1 O 0.38604 0.38604 0.61396 1.00000
O2 O 0.72312 0.04725 0.95275 1.00000
O3 O 0.04725 0.72312 0.27688 1.00000
O4 O 0.27688 0.95275 0.04725 1.00000
O5 O 0.61396 0.61396 0.38604 1.00000
O6 O 0.95275 0.27688 0.72312 1.00000
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