MnCoO3
Alexandria ALEXAlex-ID: agm005270634 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_6500_spg12
Mn2O3 MnO2 Co3O4
2023-04-21 08:28:05.264134
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005270634).
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 agm005270634
data_agm005270634
_cell_length_a 5.64343
_cell_length_b 5.64343
_cell_length_c 6.86828
_cell_angle_alpha 73.49395
_cell_angle_beta 73.49395
_cell_angle_gamma 30.53863
_cell_volume 106.21792
_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 0.84468 0.84468 0.82515 1.00000
Mn2 Mn 0.15532 0.15532 0.17485 1.00000
Co1 Co 0.64054 0.64054 0.64671 1.00000
Co2 Co 0.35946 0.35946 0.35329 1.00000
O1 O 0.54078 0.54078 0.20042 1.00000
O2 O 0.84210 0.84210 0.55018 1.00000
O3 O 0.21078 0.21078 0.86873 1.00000
O4 O 0.45922 0.45922 0.79958 1.00000
O5 O 0.15790 0.15790 0.44982 1.00000
O6 O 0.78922 0.78922 0.13127 1.00000
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