Li(SmSe)4
Alexandria ALEXAlex-ID: agm006044094 · Space group: I4/m (#87)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C4_263_spg139
SmSe Sm Li2Se
2023-08-10 22:25:04.551069
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006044094).
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 agm006044094
data_agm006044094
_cell_length_a 5.82184
_cell_length_b 7.06006
_cell_length_c 7.06194
_cell_angle_alpha 80.11815
_cell_angle_beta 65.65696
_cell_angle_gamma 65.65007
_cell_volume 240.93217
_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 0.00000 0.00000 0.00000 1.00000
Sm1 Sm 0.59613 0.60671 0.20103 1.00000
Sm2 Sm 0.40387 0.39329 0.79897 1.00000
Sm3 Sm 0.20204 0.20124 0.39468 1.00000
Sm4 Sm 0.79796 0.79876 0.60532 1.00000
Se1 Se 0.90705 0.37995 0.80595 1.00000
Se2 Se 0.09295 0.62005 0.19405 1.00000
Se3 Se 0.28749 0.80505 0.61997 1.00000
Se4 Se 0.71251 0.19495 0.38003 1.00000
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