LiInSn2F6
Alexandria ALEXAlex-ID: agm004956667 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_1556_spg1
InF2 LiF In SnF2
2022-07-26 17:14:45.208394
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004956667).
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 agm004956667
data_agm004956667
_cell_length_a 7.41260
_cell_length_b 7.44278
_cell_length_c 6.50466
_cell_angle_alpha 52.06149
_cell_angle_beta 55.51169
_cell_angle_gamma 44.94594
_cell_volume 194.32762
_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 0.31227 0.30128 0.16842 1.00000
In1 In 0.73965 0.76963 0.68175 1.00000
Sn1 Sn 0.51181 0.59422 0.39288 1.00000
Sn2 Sn 0.98279 0.95639 0.94945 1.00000
F1 F 0.62269 0.13131 0.26043 1.00000
F2 F 0.28845 0.01238 0.31097 1.00000
F3 F 0.95809 0.61063 0.24610 1.00000
F4 F 0.34350 0.56852 0.80577 1.00000
F5 F 0.74428 0.03572 0.78358 1.00000
F6 F 0.15807 0.68152 0.41585 1.00000
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