MnCoO4
Alexandria ALEXAlex-ID: agm005269746 · Space group: P2_1 (#4)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1103_spg4
CoO8 MnO2 Co3O4
2023-05-05 07:25:45.697784
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005269746).
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 agm005269746
data_agm005269746
_cell_length_a 10.10624
_cell_length_b 2.89510
_cell_length_c 4.98033
_cell_angle_alpha 89.95234
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 145.71712
_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 0.00003 0.37552 0.87397 1.00000
Mn2 Mn 0.50003 0.62448 0.12603 1.00000
Co1 Co 0.49997 0.12453 0.62593 1.00000
Co2 Co 0.99997 0.87547 0.37407 1.00000
O1 O 0.90645 0.37538 0.53493 1.00000
O2 O 0.09451 0.87560 0.70244 1.00000
O3 O 0.59362 0.62452 0.78679 1.00000
O4 O 0.40645 0.62462 0.46507 1.00000
O5 O 0.59451 0.12440 0.29756 1.00000
O6 O 0.90543 0.87529 0.04554 1.00000
O7 O 0.09362 0.37548 0.21321 1.00000
O8 O 0.40543 0.12471 0.95446 1.00000
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