LiMnF4
Alexandria ALEXAlex-ID: agm005240382 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_98_spg12
LiMnF4
2022-12-12 10:13:42.284946
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005240382).
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 agm005240382
data_agm005240382
_cell_length_a 4.25855
_cell_length_b 6.58806
_cell_length_c 6.53877
_cell_angle_alpha 75.08212
_cell_angle_beta 90.00000
_cell_angle_gamma 71.14333
_cell_volume 167.05614
_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 0.09392 0.81216 0.21453 1.00000
Li2 Li 0.90608 0.18784 0.78547 1.00000
Mn1 Mn 0.20187 0.59625 0.80261 1.00000
Mn2 Mn 0.79813 0.40375 0.19739 1.00000
F1 F 0.06667 0.86666 0.87408 1.00000
F2 F 0.13531 0.72939 0.51678 1.00000
F3 F 0.73134 0.53733 0.87971 1.00000
F4 F 0.65424 0.69152 0.22696 1.00000
F5 F 0.34576 0.30848 0.77304 1.00000
F6 F 0.26866 0.46267 0.12029 1.00000
F7 F 0.86469 0.27061 0.48322 1.00000
F8 F 0.93333 0.13334 0.12592 1.00000
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