Co2CuO4
Alexandria ALEXAlex-ID: agm005249710 · Space group: R3m (#160)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_6_spg74
Cu5O6 CuO5 Co3O4
2023-05-06 18:37:32.491951
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005249710).
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 agm005249710
data_agm005249710
_cell_length_a 5.81577
_cell_length_b 5.81577
_cell_length_c 5.81577
_cell_angle_alpha 59.22813
_cell_angle_beta 59.22813
_cell_angle_gamma 59.22813
_cell_volume 136.64777
_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 0.25037 0.25037 0.25037 1.00000
Co2 Co 0.62553 0.62553 0.12391 1.00000
Co3 Co 0.62553 0.12391 0.62553 1.00000
Co4 Co 0.12391 0.62553 0.62553 1.00000
Cu1 Cu 0.00053 0.00053 0.00053 1.00000
Cu2 Cu 0.62580 0.62580 0.62580 1.00000
O1 O 0.83731 0.38204 0.38204 1.00000
O2 O 0.38204 0.38204 0.83731 1.00000
O3 O 0.38204 0.83731 0.38204 1.00000
O4 O 0.38830 0.38830 0.38830 1.00000
O5 O 0.86100 0.86100 0.86100 1.00000
O6 O 0.86682 0.86682 0.41401 1.00000
O7 O 0.86682 0.41401 0.86682 1.00000
O8 O 0.41401 0.86682 0.86682 1.00000
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