LiSnS2
Alexandria ALEXAlex-ID: agm005682010 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_4552_spg6
Li2SnS3 SnS
2023-07-14 17:34:10.477888
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005682010).
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 agm005682010
data_agm005682010
_cell_length_a 3.88563
_cell_length_b 8.34422
_cell_length_c 7.95326
_cell_angle_alpha 60.75748
_cell_angle_beta 118.29637
_cell_angle_gamma 93.07839
_cell_volume 192.73428
_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 0.16001 0.33050 0.64792 1.00000
Li2 Li 0.33441 0.83157 0.70250 1.00000
Sn1 Sn 0.26500 0.85260 0.20043 1.00000
Sn2 Sn 0.23009 0.34582 0.18000 1.00000
S1 S 0.06931 0.68810 0.96648 1.00000
S2 S 0.01625 0.67485 0.47899 1.00000
S3 S 0.60842 0.22638 0.06665 1.00000
S4 S 0.57355 0.18007 0.57985 1.00000
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