Li3Mn3O8
Alexandria ALEXAlex-ID: agm005289847 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C8_4_spg166
Li4Mn5O12 Li2MnO3 LiO8
2023-05-06 15:58:16.079458
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005289847).
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 agm005289847
data_agm005289847
_cell_length_a 5.92003
_cell_length_b 5.92003
_cell_length_c 5.92003
_cell_angle_alpha 58.85914
_cell_angle_beta 58.85914
_cell_angle_gamma 58.85914
_cell_volume 142.88818
_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 0.62054 0.62054 0.62054 1.00000
Li2 Li 0.37946 0.37946 0.37946 1.00000
Li3 Li 0.00000 0.00000 0.00000 1.00000
Mn1 Mn 0.50000 0.00000 0.00000 1.00000
Mn2 Mn 0.00000 0.50000 0.00000 1.00000
Mn3 Mn 0.00000 0.00000 0.50000 1.00000
O1 O 0.23771 0.23771 0.23771 1.00000
O2 O 0.24903 0.24903 0.79144 1.00000
O3 O 0.24903 0.79144 0.24903 1.00000
O4 O 0.79144 0.24903 0.24903 1.00000
O5 O 0.20856 0.75097 0.75097 1.00000
O6 O 0.75097 0.75097 0.20856 1.00000
O7 O 0.75097 0.20856 0.75097 1.00000
O8 O 0.76229 0.76229 0.76229 1.00000
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