Li(SeS3)2
Alexandria ALEXAlex-ID: agm005669373 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_2826_spg1
SeS7 Li2S Se
2023-07-08 15:42:38.087604
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005669373).
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 agm005669373
data_agm005669373
_cell_length_a 7.45811
_cell_length_b 7.88649
_cell_length_c 6.30062
_cell_angle_alpha 111.66307
_cell_angle_beta 101.48412
_cell_angle_gamma 119.20703
_cell_volume 265.75646
_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 0.02164 0.03225 0.07401 1.00000
Se1 Se 0.57747 0.42958 0.72424 1.00000
Se2 Se 0.49130 0.61719 0.52832 1.00000
S1 S 0.70985 0.97884 0.22580 1.00000
S2 S 0.94821 0.65677 0.94330 1.00000
S3 S 0.85943 0.33494 0.29913 1.00000
S4 S 0.31052 0.38970 0.11918 1.00000
S5 S 0.96546 0.00266 0.43960 1.00000
S6 S 0.11611 0.55808 0.64637 1.00000
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