Li2CeSe3
Alexandria ALEXAlex-ID: agm017259296 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_174_spg44
CeSe2 Li2Se
2025-04-15 06:36:59
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017259296).
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 agm017259296
data_agm017259296
_cell_length_a 6.85118
_cell_length_b 6.85118
_cell_length_c 6.85118
_cell_angle_alpha 144.90804
_cell_angle_beta 130.96916
_cell_angle_gamma 61.71335
_cell_volume 138.13413
_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 0.34010 0.84010 0.50000 1.00000
Li2 Li 0.65990 0.15990 0.50000 1.00000
Ce1 Ce 0.00000 0.50000 0.50000 1.00000
Se1 Se 0.50000 0.50000 0.00000 1.00000
Se2 Se 0.83320 0.83320 0.00000 1.00000
Se3 Se 0.16680 0.16680 0.00000 1.00000
