CeU2Se3
Alexandria ALEXAlex-ID: agm005757153 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_35_spg14
Ce2Se3 U2Se U2Se3
2023-08-25 04:24:51.377234
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005757153).
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 agm005757153
data_agm005757153
_cell_length_a 5.81435
_cell_length_b 8.12577
_cell_length_c 12.44253
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 91.00104
_cell_volume 587.77092
_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
Ce1 Ce 0.24965 0.87334 0.08068 1.00000
Ce2 Ce 0.24965 0.37334 0.41932 1.00000
Ce3 Ce 0.75035 0.62666 0.58068 1.00000
Ce4 Ce 0.75035 0.12666 0.91932 1.00000
U1 U 0.24831 0.87468 0.75345 1.00000
U2 U 0.24831 0.37468 0.74655 1.00000
U3 U 0.25244 0.87627 0.41568 1.00000
U4 U 0.25244 0.37627 0.08432 1.00000
U5 U 0.74756 0.62373 0.91568 1.00000
U6 U 0.74756 0.12373 0.58432 1.00000
U7 U 0.75169 0.62532 0.25345 1.00000
U8 U 0.75169 0.12532 0.24655 1.00000
Se1 Se 0.25032 0.63143 0.58485 1.00000
Se2 Se 0.25032 0.13143 0.91515 1.00000
Se3 Se 0.24733 0.61794 0.91387 1.00000
Se4 Se 0.24733 0.11794 0.58613 1.00000
Se5 Se 0.25165 0.62476 0.25105 1.00000
Se6 Se 0.25165 0.12476 0.24895 1.00000
Se7 Se 0.74835 0.87524 0.75105 1.00000
Se8 Se 0.74835 0.37524 0.74895 1.00000
Se9 Se 0.75267 0.88206 0.41387 1.00000
Se10 Se 0.75267 0.38206 0.08613 1.00000
Se11 Se 0.74968 0.86857 0.08485 1.00000
Se12 Se 0.74968 0.36857 0.41515 1.00000
