Li6AlSn8
Alexandria ALEXAlex-ID: agm072932456 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_404_spg148
LiAl19 Sn LiSn
2024-10-06 15:42:09.860993
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072932456).
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 agm072932456
data_agm072932456
_cell_length_a 7.50576
_cell_length_b 7.50576
_cell_length_c 7.50576
_cell_angle_alpha 67.25575
_cell_angle_beta 67.25575
_cell_angle_gamma 67.25575
_cell_volume 345.38128
_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 0.16004 0.65165 0.42945 1.00000
Li2 Li 0.42945 0.16004 0.65165 1.00000
Li3 Li 0.65165 0.42945 0.16004 1.00000
Li4 Li 0.83996 0.34835 0.57055 1.00000
Li5 Li 0.57055 0.83996 0.34835 1.00000
Li6 Li 0.34835 0.57055 0.83996 1.00000
Al1 Al 0.00000 0.00000 0.00000 1.00000
Sn1 Sn 0.29799 0.29799 0.29799 1.00000
Sn2 Sn 0.70201 0.70201 0.70201 1.00000
Sn3 Sn 0.84183 0.05769 0.40016 1.00000
Sn4 Sn 0.40016 0.84183 0.05769 1.00000
Sn5 Sn 0.05769 0.40016 0.84183 1.00000
Sn6 Sn 0.15817 0.94231 0.59984 1.00000
Sn7 Sn 0.59984 0.15817 0.94231 1.00000
Sn8 Sn 0.94231 0.59984 0.15817 1.00000
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