Li5Ga2F12
Alexandria ALEXAlex-ID: agm005652755 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C12_346_spg12
LiF3 LiGaF4 Li3GaF6
2023-06-25 22:46:42.331234
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005652755).
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 agm005652755
data_agm005652755
_cell_length_a 5.81020
_cell_length_b 7.68333
_cell_length_c 5.74049
_cell_angle_alpha 101.85198
_cell_angle_beta 120.40255
_cell_angle_gamma 89.99999
_cell_volume 214.66840
_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 0.70001 0.36095 0.40003 1.00000
Li2 Li 0.70052 0.71510 0.40104 1.00000
Li3 Li 0.00000 0.50000 0.00000 1.00000
Li4 Li 0.29948 0.28490 0.59896 1.00000
Li5 Li 0.29999 0.63905 0.59997 1.00000
Ga1 Ga 0.24599 1.00000 0.00000 1.00000
Ga2 Ga 0.75401 0.00000 1.00000 1.00000
F1 F 0.05994 0.86379 0.11988 1.00000
F2 F 0.91808 0.16414 0.34130 1.00000
F3 F 0.42322 0.16414 0.34130 1.00000
F4 F 0.87803 0.52438 0.26831 1.00000
F5 F 0.39028 0.52438 0.26831 1.00000
F6 F 0.44052 0.13636 0.88104 1.00000
F7 F 0.55948 0.86364 0.11896 1.00000
F8 F 0.12197 0.47562 0.73169 1.00000
F9 F 0.60972 0.47562 0.73169 1.00000
F10 F 0.08192 0.83586 0.65870 1.00000
F11 F 0.57678 0.83586 0.65870 1.00000
F12 F 0.94006 0.13621 0.88012 1.00000
Get direct link