LiMn2
Alexandria ALEXAlex-ID: agm005457726 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2_4_spg12
Mn Li
2023-03-21 10:42:00.166111
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005457726).
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 agm005457726
data_agm005457726
_cell_length_a 5.42770
_cell_length_b 5.42770
_cell_length_c 5.89686
_cell_angle_alpha 78.29272
_cell_angle_beta 78.29272
_cell_angle_gamma 27.98200
_cell_volume 79.70674
_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 0.47076 0.47076 0.31969 1.00000
Li2 Li 0.52924 0.52924 0.68031 1.00000
Mn1 Mn 0.13814 0.13814 0.98623 1.00000
Mn2 Mn 0.77803 0.77803 0.66425 1.00000
Mn3 Mn 0.22197 0.22197 0.33575 1.00000
Mn4 Mn 0.86186 0.86186 0.01377 1.00000
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