Li3Mn2(CoO4)2
Alexandria ALEXAlex-ID: agm005229535 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3D8_35_spg1
LiMn2O4 Co3O4 Li2MnO3
2023-05-07 01:01:42.561232
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005229535).
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 agm005229535
data_agm005229535
_cell_length_a 2.96084
_cell_length_b 4.96384
_cell_length_c 10.02668
_cell_angle_alpha 95.47243
_cell_angle_beta 84.19331
_cell_angle_gamma 87.33264
_cell_volume 145.70399
_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 0.51546 0.76996 0.23293 1.00000
Li2 Li 0.65514 0.96928 0.75874 1.00000
Li3 Li 0.01534 0.26414 0.23142 1.00000
Mn1 Mn 0.57543 0.37634 0.99293 1.00000
Mn2 Mn 0.09682 0.38646 0.50269 1.00000
Co1 Co 0.60054 0.88607 0.49233 1.00000
Co2 Co 0.07145 0.87481 0.99931 1.00000
O1 O 0.08126 0.58255 0.11529 1.00000
O2 O 0.56351 0.22975 0.59726 1.00000
O3 O 0.63722 0.52700 0.39295 1.00000
O4 O 0.57679 0.68921 0.89705 1.00000
O5 O 0.58511 0.08591 0.11512 1.00000
O6 O 0.06833 0.75098 0.59368 1.00000
O7 O 0.12676 0.03013 0.39143 1.00000
O8 O 0.08221 0.16025 0.88737 1.00000
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