La4Se2Cl3
Alexandria ALEXAlex-ID: agm005693171 · Space group: P-3m1 (#164)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_352_spg164
La2SeCl2 La LaSe
2023-06-26 20:46:34.486379
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005693171).
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 agm005693171
data_agm005693171
_cell_length_a 4.27969
_cell_length_b 4.27968
_cell_length_c 16.87116
_cell_angle_alpha 90.06256
_cell_angle_beta 89.93743
_cell_angle_gamma 120.00034
_cell_volume 267.60694
_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
La1 La 0.33363 0.66637 0.89591 1.00000
La2 La 0.99908 0.00092 0.29985 1.00000
La3 La 0.00092 0.99908 0.70015 1.00000
La4 La 0.66637 0.33363 0.10409 1.00000
Se1 Se 0.66727 0.33273 0.79720 1.00000
Se2 Se 0.33273 0.66727 0.20280 1.00000
Cl1 Cl 0.66552 0.33448 0.39749 1.00000
Cl2 Cl 0.00000 0.00000 0.00000 1.00000
Cl3 Cl 0.33448 0.66552 0.60251 1.00000
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