Mn5CoO12
Alexandria ALEXAlex-ID: agm003221663 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C12_2_spg12
CoO8 MnO2 Co3O4
2021-12-16 00:32:11.521056
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003221663).
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 agm003221663
data_agm003221663
_cell_length_a 5.04657
_cell_length_b 5.04990
_cell_length_c 10.12153
_cell_angle_alpha 89.98122
_cell_angle_beta 89.96240
_cell_angle_gamma 60.02181
_cell_volume 223.43531
_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
Mn1 Mn 0.16663 0.66673 0.50000 1.00000
Mn2 Mn 0.66667 0.66666 0.00000 1.00000
Mn3 Mn 0.33333 0.33334 1.00000 1.00000
Mn4 Mn 0.83337 0.33327 0.50000 1.00000
Mn5 Mn 0.50000 0.00000 0.50000 1.00000
Co1 Co 0.00000 0.00000 0.00000 1.00000
O1 O 0.99996 0.67170 0.09361 1.00000
O2 O 0.32834 0.67170 0.90639 1.00000
O3 O 0.16686 0.33339 0.40470 1.00000
O4 O 0.50025 0.66661 0.40470 1.00000
O5 O 0.49975 0.33339 0.59530 1.00000
O6 O 0.16654 1.00000 0.59522 1.00000
O7 O 0.83314 0.66661 0.59530 1.00000
O8 O 0.67166 0.32830 0.09361 1.00000
O9 O 0.32821 0.00000 0.09359 1.00000
O10 O 0.00004 0.32830 0.90639 1.00000
O11 O 0.67179 1.00000 0.90641 1.00000
O12 O 0.83346 0.00000 0.40478 1.00000
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