LiUSN
Alexandria ALEXAlex-ID: agm005191440 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD_2_spg166
U2SN2 Li2S
2022-07-10 13:51:10.963718
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005191440).
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 agm005191440
data_agm005191440
_cell_length_a 3.84403
_cell_length_b 3.84403
_cell_length_c 10.26861
_cell_angle_alpha 79.21211
_cell_angle_beta 79.21211
_cell_angle_gamma 60.00000
_cell_volume 128.30006
_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 0.69485 0.69485 0.91545 1.00000
Li2 Li 0.30515 0.30515 0.08455 1.00000
U1 U 0.11989 0.11989 0.64031 1.00000
U2 U 0.88011 0.88011 0.35969 1.00000
S1 S 0.61110 0.61110 0.16671 1.00000
S2 S 0.38890 0.38890 0.83329 1.00000
N1 N 0.80438 0.80438 0.58687 1.00000
N2 N 0.19562 0.19562 0.41313 1.00000
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