ZnCo2O5
Alexandria ALEXAlex-ID: agm005519085 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5_262_spg1
ZnCo5O8 CoO8 ZnO
2023-07-26 18:08:55
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005519085).
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 agm005519085
data_agm005519085
_cell_length_a 3.13317
_cell_length_b 4.98855
_cell_length_c 11.53136
_cell_angle_alpha 88.73919
_cell_angle_beta 91.90394
_cell_angle_gamma 85.17729
_cell_volume 179.44201
_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
Zn1 Zn 0.67764 0.89315 0.27111 1.00000
Zn2 Zn 0.32241 0.10685 0.72891 1.00000
Co1 Co 0.25408 0.43288 0.10432 1.00000
Co2 Co 0.74586 0.56711 0.89572 1.00000
Co3 Co 0.74821 0.57239 0.60244 1.00000
Co4 Co 0.25185 0.42761 0.39757 1.00000
O1 O 0.78369 0.38072 0.74805 1.00000
O2 O 0.21634 0.61929 0.25197 1.00000
O3 O 0.77467 0.65509 0.05471 1.00000
O4 O 0.22522 0.34489 0.94533 1.00000
O5 O 0.70374 0.63856 0.43736 1.00000
O6 O 0.29632 0.36142 0.56264 1.00000
O7 O 0.14365 0.11740 0.35437 1.00000
O8 O 0.85640 0.88260 0.64563 1.00000
O9 O 0.36324 0.81529 0.84940 1.00000
O10 O 0.63675 0.18474 0.15063 1.00000
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