LiMn2F7
Alexandria ALEXAlex-ID: agm005234556 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_490_spg2
LiMnF4 MnF3
2023-05-08 07:13:29.270377
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005234556).
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 agm005234556
data_agm005234556
_cell_length_a 5.75054
_cell_length_b 6.84031
_cell_length_c 8.94001
_cell_angle_alpha 112.17613
_cell_angle_beta 106.59444
_cell_angle_gamma 79.94611
_cell_volume 311.19870
_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 0.87268 0.56052 0.28389 1.00000
Li2 Li 0.12732 0.43948 0.71611 1.00000
Mn1 Mn 0.74346 0.98283 0.17033 1.00000
Mn2 Mn 0.23818 0.20079 0.29880 1.00000
Mn3 Mn 0.76182 0.79921 0.70120 1.00000
Mn4 Mn 0.25654 0.01717 0.82967 1.00000
F1 F 0.69921 0.71392 0.14365 1.00000
F2 F 0.31410 0.09697 0.07726 1.00000
F3 F 0.11552 0.92929 0.23627 1.00000
F4 F 0.82317 0.25078 0.19404 1.00000
F5 F 0.22331 0.47573 0.30931 1.00000
F6 F 0.81531 0.71765 0.49300 1.00000
F7 F 0.61100 0.10176 0.35898 1.00000
F8 F 0.38900 0.89824 0.64102 1.00000
F9 F 0.18469 0.28235 0.50700 1.00000
F10 F 0.77669 0.52427 0.69069 1.00000
F11 F 0.17683 0.74922 0.80596 1.00000
F12 F 0.88448 0.07071 0.76373 1.00000
F13 F 0.68590 0.90303 0.92274 1.00000
F14 F 0.30079 0.28608 0.85635 1.00000
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