LiSN
Alexandria ALEXAlex-ID: agm005609298 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_10960_spg12
Li2SN2 SN Li2S
2023-06-19 10:57:43.496867
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005609298).
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 agm005609298
data_agm005609298
_cell_length_a 2.67510
_cell_length_b 10.01508
_cell_length_c 4.17993
_cell_angle_alpha 56.15319
_cell_angle_beta 108.70488
_cell_angle_gamma 90.02798
_cell_volume 85.80717
_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 0.71182 0.88442 0.42230 1.00000
Li2 Li 0.28818 0.11558 0.57770 1.00000
S1 S 0.11146 0.72172 0.22256 1.00000
S2 S 0.88854 0.27828 0.77744 1.00000
N1 N 0.54018 0.14435 0.08058 1.00000
N2 N 0.45982 0.85565 0.91942 1.00000
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