Li2SiPbF8
Alexandria ALEXAlex-ID: agm004909255 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_339_spg12
Li2SiF6 PbF2
2023-01-01 22:26:16.814801
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004909255).
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 agm004909255
data_agm004909255
_cell_length_a 4.78617
_cell_length_b 4.79534
_cell_length_c 6.99920
_cell_angle_alpha 81.90284
_cell_angle_beta 81.97002
_cell_angle_gamma 79.60453
_cell_volume 155.34821
_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 0.44786 0.44778 0.72700 1.00000
Li2 Li 0.55214 0.55222 0.27300 1.00000
Si1 Si 0.00000 0.00000 0.00000 1.00000
Pb1 Pb 0.00000 0.00000 0.50000 1.00000
F1 F 0.19987 0.80163 0.17764 1.00000
F2 F 0.76779 0.76943 0.04769 1.00000
F3 F 0.80222 0.20065 0.17706 1.00000
F4 F 0.80013 0.19837 0.82236 1.00000
F5 F 0.23221 0.23057 0.95231 1.00000
F6 F 0.19778 0.79935 0.82294 1.00000
F7 F 0.66988 0.67204 0.50504 1.00000
F8 F 0.33012 0.32796 0.49496 1.00000
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