Ba(Li3Sn2)2
Alexandria ALEXAlex-ID: agm003661655 · Space group: I-42m (#121)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C6_181_spg121
Ba3(LiSn2)4 BaLiSn2 Li8Sn3
2022-04-08 11:44:37.981088
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003661655).
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 agm003661655
data_agm003661655
_cell_length_a 7.33054
_cell_length_b 7.33054
_cell_length_c 7.33054
_cell_angle_alpha 93.29218
_cell_angle_beta 118.11782
_cell_angle_gamma 118.11782
_cell_volume 285.95742
_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
Ba1 Ba 0.00000 0.00000 0.00000 1.00000
Li1 Li 1.00000 0.88037 0.50127 1.00000
Li2 Li 1.00000 0.50127 0.88037 1.00000
Li3 Li 0.62090 0.11963 0.11963 1.00000
Li4 Li 0.50000 0.00000 0.50000 1.00000
Li5 Li 0.37910 0.49873 0.49873 1.00000
Li6 Li 0.50000 0.50000 0.00000 1.00000
Sn1 Sn 0.00000 0.24410 0.58444 1.00000
Sn2 Sn 0.65967 0.41556 0.41556 1.00000
Sn3 Sn 0.00000 0.58444 0.24410 1.00000
Sn4 Sn 0.34033 0.75590 0.75590 1.00000
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