LiSbSe
Alexandria ALEXAlex-ID: agm002095697 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_2934_spg1
Sb2Se3 Sb Li2Se
2021-11-11 00:56:27.508360
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002095697).
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 agm002095697
data_agm002095697
_cell_length_a 4.32476
_cell_length_b 5.89349
_cell_length_c 6.46776
_cell_angle_alpha 75.86885
_cell_angle_beta 88.94542
_cell_angle_gamma 81.58679
_cell_volume 158.11546
_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 0.87778 0.17579 0.54817 1.00000
Li2 Li 0.40775 0.36366 0.92880 1.00000
Sb1 Sb 0.50464 0.69692 0.49588 1.00000
Sb2 Sb 0.98614 0.83810 0.17978 1.00000
Se1 Se 0.91093 0.30204 0.14023 1.00000
Se2 Se 0.40475 0.00447 0.72704 1.00000
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