LiMn4(CoO6)2
Alexandria ALEXAlex-ID: agm005242735 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4D12_98_spg8
Li3Mn2(CoO3)4 MnO2 Co3O4 LiO8
2023-05-08 00:59:30.039981
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005242735).
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 agm005242735
data_agm005242735
_cell_length_a 4.98602
_cell_length_b 4.98567
_cell_length_c 10.15031
_cell_angle_alpha 90.69717
_cell_angle_beta 88.73510
_cell_angle_gamma 60.07979
_cell_volume 218.56233
_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
Li1 Li 0.36096 0.64770 0.74788 1.00000
Mn1 Mn 0.43946 0.23226 0.00106 1.00000
Mn2 Mn 0.74369 0.93861 0.50080 1.00000
Mn3 Mn 0.07721 0.27216 0.50081 1.00000
Mn4 Mn 0.77310 0.56592 0.00111 1.00000
Co1 Co 0.10368 0.90166 0.00340 1.00000
Co2 Co 0.41172 0.60432 0.49210 1.00000
O1 O 0.75381 0.26338 0.40432 1.00000
O2 O 0.78021 0.22649 0.90398 1.00000
O3 O 0.42937 0.57470 0.09557 1.00000
O4 O 0.76671 0.90644 0.09541 1.00000
O5 O 0.08206 0.93243 0.59701 1.00000
O6 O 0.40317 0.28987 0.59680 1.00000
O7 O 0.08224 0.59908 0.40438 1.00000
O8 O 0.11787 0.56639 0.90267 1.00000
O9 O 0.44035 0.88872 0.90268 1.00000
O10 O 0.09777 0.23736 0.09542 1.00000
O11 O 0.72486 0.61132 0.59674 1.00000
O12 O 0.41810 0.93493 0.40438 1.00000
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