LiMn4O8
Alexandria ALEXAlex-ID: agm003212971 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_11_spg216
Li4Mn5O12 Mn2O3 MnO2
2021-12-04 19:43:07.781621
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003212971).
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 agm003212971
data_agm003212971
_cell_length_a 6.03961
_cell_length_b 5.81698
_cell_length_c 5.84993
_cell_angle_alpha 60.16964
_cell_angle_beta 59.07088
_cell_angle_gamma 61.24299
_cell_volume 145.75171
_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 0.13608 0.11744 0.12904 1.00000
Mn1 Mn 0.50019 0.50169 0.50070 1.00000
Mn2 Mn 0.99805 0.50103 0.49984 1.00000
Mn3 Mn 0.50222 0.50042 0.99696 1.00000
Mn4 Mn 0.50020 0.99743 0.50072 1.00000
O1 O 0.29938 0.72711 0.74604 1.00000
O2 O 0.72411 0.74488 0.72900 1.00000
O3 O 0.72400 0.30214 0.72912 1.00000
O4 O 0.70342 0.75725 0.28240 1.00000
O5 O 0.27165 0.25628 0.26860 1.00000
O6 O 0.70646 0.26989 0.25410 1.00000
O7 O 0.28755 0.24606 0.72002 1.00000
O8 O 0.27170 0.70338 0.26846 1.00000
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