AcLa2Se3
Alexandria ALEXAlex-ID: agm005647002 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_4_spg71
Ac3LaSe4 AcLa4Se5
2023-08-24 21:05:54.053579
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005647002).
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 agm005647002
data_agm005647002
_cell_length_a 4.36714
_cell_length_b 6.18265
_cell_length_c 7.55860
_cell_angle_alpha 114.14088
_cell_angle_beta 106.79121
_cell_angle_gamma 90.00001
_cell_volume 176.65871
_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
Ac1 Ac 0.00000 0.50000 0.00000 1.00000
La1 La 0.66494 0.16494 0.32988 1.00000
La2 La 0.33506 0.83506 0.67012 1.00000
Se1 Se 0.32821 0.32821 0.65643 1.00000
Se2 Se 0.00000 0.00000 0.00000 1.00000
Se3 Se 0.67179 0.67179 0.34357 1.00000
