LiMn3(O2F)2
Alexandria ALEXAlex-ID: agm005219085 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D4_57_spg1
Mn2O3 MnO2 LiF MnF2
2024-10-15 21:05:10
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005219085).
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 agm005219085
data_agm005219085
_cell_length_a 5.79628
_cell_length_b 3.91935
_cell_length_c 6.42656
_cell_angle_alpha 105.73013
_cell_angle_beta 91.01163
_cell_angle_gamma 110.39336
_cell_volume 130.69943
_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 0.26202 0.54432 0.33661 1.00000
Mn1 Mn 0.66115 0.41562 0.59528 1.00000
Mn2 Mn 0.86892 0.72122 0.09998 1.00000
Mn3 Mn 0.11343 0.21239 0.79957 1.00000
O1 O 0.73097 0.93599 0.54647 1.00000
O2 O 0.63175 0.66501 0.32431 1.00000
O3 O 0.96716 0.28250 0.12372 1.00000
O4 O 0.99888 0.65917 0.81232 1.00000
F1 F 0.26462 0.10153 0.46813 1.00000
F2 F 0.50110 0.46225 0.89361 1.00000
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