Li2H5F2
Alexandria ALEXAlex-ID: agm007309017 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_1900_spg1
LiH6F LiF
2024-03-15 21:10:11.464853
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007309017).
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
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# CIF generated by HEAS from Alexandria entry agm007309017
data_agm007309017
_cell_length_a 3.53011
_cell_length_b 3.92818
_cell_length_c 14.03557
_cell_angle_alpha 82.03263
_cell_angle_beta 77.71032
_cell_angle_gamma 90.42291
_cell_volume 188.19733
_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 0.31134 0.62315 0.70648 1.00000
Li2 Li 0.19313 0.85596 0.29378 1.00000
Li3 Li 0.65663 0.33501 0.33301 1.00000
Li4 Li 0.84253 0.14289 0.66434 1.00000
H1 H 0.29411 0.11526 0.71634 1.00000
H2 H 0.19961 0.36030 0.27880 1.00000
H3 H 0.64319 0.82637 0.34957 1.00000
H4 H 0.85243 0.64800 0.65387 1.00000
H5 H 0.72781 0.93283 0.05487 1.00000
H6 H 0.03714 0.14928 0.90422 1.00000
H7 H 0.32375 0.49161 0.94264 1.00000
H8 H 0.36802 0.55780 0.09442 1.00000
H9 H 0.02128 0.13886 0.50443 1.00000
H10 H 0.01940 0.33036 0.50732 1.00000
F1 F 0.84473 0.97096 0.94394 1.00000
F2 F 0.24667 0.42003 0.05394 1.00000
F3 F 0.60270 0.82728 0.12220 1.00000
F4 F 0.31553 0.44606 0.87583 1.00000
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