LiH2F4
Alexandria ALEXAlex-ID: agm003458317 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_1392_spg5
LiHF2 LiF5 HF
2022-02-28 19:34:43.760144
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003458317).
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 agm003458317
data_agm003458317
_cell_length_a 5.21678
_cell_length_b 5.21638
_cell_length_c 6.06922
_cell_angle_alpha 104.79827
_cell_angle_beta 110.42426
_cell_angle_gamma 107.26423
_cell_volume 135.39081
_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 0.24806 0.74802 0.50007 1.00000
Li2 Li 0.98917 0.98917 0.00008 1.00000
H1 H 0.70552 0.28555 0.76881 1.00000
H2 H 0.51676 0.93659 0.23118 1.00000
H3 H 0.48761 0.48442 0.25942 1.00000
H4 H 0.22522 0.22853 0.74043 1.00000
F1 F 0.79036 0.95159 0.23841 1.00000
F2 F 0.32753 0.93555 0.24070 1.00000
F3 F 0.71323 0.55202 0.76166 1.00000
F4 F 0.18697 0.03817 0.76062 1.00000
F5 F 0.27709 0.42588 0.23925 1.00000
F6 F 0.69496 0.08679 0.75927 1.00000
F7 F 0.30566 0.50583 0.72365 1.00000
F8 F 0.78186 0.58188 0.27644 1.00000
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