LiPbF4
Alexandria ALEXAlex-ID: agm002342998 · Space group: I4_1/a (#88)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_7_spg141
Li2PbF6 PbF2
2019-02-27 06:38:41
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002342998).
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 agm002342998
data_agm002342998
_cell_length_a 5.32293
_cell_length_b 5.32991
_cell_length_c 6.79837
_cell_angle_alpha 113.01951
_cell_angle_beta 112.99298
_cell_angle_gamma 90.13384
_cell_volume 160.65249
_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
Pb1 Pb 0.12489 0.37492 0.24982 1.00000
Pb2 Pb 0.87511 0.62508 0.75018 1.00000
Li1 Li 0.37450 0.12442 0.74890 1.00000
Li2 Li 0.62550 0.87558 0.25110 1.00000
F1 F 0.46081 0.76523 0.58686 1.00000
F2 F 0.26539 0.62713 0.08701 1.00000
F3 F 0.87392 0.67837 0.41317 1.00000
F4 F 0.82184 0.95981 0.08715 1.00000
F5 F 0.53919 0.23477 0.41314 1.00000
F6 F 0.12608 0.32163 0.58683 1.00000
F7 F 0.17816 0.04019 0.91285 1.00000
F8 F 0.73461 0.37287 0.91299 1.00000
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