Li2FeSnF6
Alexandria ALEXAlex-ID: agm004956673 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_266_spg146
FeF2 LiF SnF2
2022-07-25 08:32:43.595053
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004956673).
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 agm004956673
data_agm004956673
_cell_length_a 5.51229
_cell_length_b 5.44418
_cell_length_c 5.81515
_cell_angle_alpha 60.96410
_cell_angle_beta 61.27740
_cell_angle_gamma 59.80519
_cell_volume 125.25431
_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 0.52694 0.51534 0.43140 1.00000
Li2 Li 0.00961 0.02319 0.93537 1.00000
Fe1 Fe 0.31795 0.31026 0.05230 1.00000
Sn1 Sn 0.80097 0.79475 0.59531 1.00000
F1 F 0.61443 0.24079 0.24061 1.00000
F2 F 0.24438 0.91275 0.25210 1.00000
F3 F 0.90597 0.61905 0.24676 1.00000
F4 F 0.33802 0.72377 0.76535 1.00000
F5 F 0.72988 0.18086 0.74627 1.00000
F6 F 0.17345 0.34087 0.74974 1.00000
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