LiMnF4
Alexandria ALEXAlex-ID: agm005228158 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_89_spg2
LiMnF4
2022-12-12 10:23:22.622000
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005228158).
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 agm005228158
data_agm005228158
_cell_length_a 7.19605
_cell_length_b 7.19605
_cell_length_c 5.18921
_cell_angle_alpha 59.08416
_cell_angle_beta 59.08416
_cell_angle_gamma 43.27589
_cell_volume 153.51048
_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 0.60386 0.38518 0.25268 1.00000
Li2 Li 0.38518 0.60386 0.75268 1.00000
Mn1 Mn 0.99452 0.49468 0.50280 1.00000
Mn2 Mn 0.49468 0.99452 0.00280 1.00000
F1 F 0.45963 0.72023 0.30665 1.00000
F2 F 0.09380 0.27975 0.28564 1.00000
F3 F 0.72023 0.45963 0.80665 1.00000
F4 F 0.27975 0.09380 0.78564 1.00000
F5 F 0.89545 0.70965 0.71972 1.00000
F6 F 0.53003 0.26860 0.69878 1.00000
F7 F 0.70965 0.89545 0.21972 1.00000
F8 F 0.26860 0.53003 0.19878 1.00000
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