Ce2Se3
Alexandria ALEXAlex-ID: agm005233576 · Space group: I-42d (#122)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3_32_spg122
Ce2Se3
2023-04-20 00:08:44.239958
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005233576).
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 agm005233576
data_agm005233576
_cell_length_a 14.74570
_cell_length_b 14.74570
_cell_length_c 14.74570
_cell_angle_alpha 144.92589
_cell_angle_beta 144.92589
_cell_angle_gamma 50.44497
_cell_volume 1053.42676
_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 0.07636 0.96611 0.62206 1.00000
Ce2 Ce 0.66629 0.66629 0.00000 1.00000
Ce3 Ce 0.37500 0.00488 0.12988 1.00000
Ce4 Ce 0.08371 0.58371 0.50000 1.00000
Ce5 Ce 0.67364 0.79570 0.38975 1.00000
Ce6 Ce 0.87500 0.24512 0.87012 1.00000
Ce7 Ce 0.40595 0.28389 0.61025 1.00000
Ce8 Ce 0.71611 0.32636 0.12206 1.00000
Ce9 Ce 0.99512 0.12500 0.37012 1.00000
Ce10 Ce 0.41629 0.91629 0.50000 1.00000
Ce11 Ce 0.75488 0.62500 0.62988 1.00000
Ce12 Ce 0.20430 0.59405 0.87794 1.00000
Ce13 Ce 0.33371 0.33371 0.00000 1.00000
Ce14 Ce 0.03389 0.65595 0.11025 1.00000
Ce15 Ce 0.34405 0.45430 0.37794 1.00000
Ce16 Ce 0.54570 0.92364 0.88975 1.00000
Se1 Se 0.57233 0.32594 0.60481 1.00000
Se2 Se 0.35684 0.75693 0.74785 1.00000
Se3 Se 0.00908 0.60899 0.25215 1.00000
Se4 Se 0.39316 0.64101 0.90009 1.00000
Se5 Se 0.74092 0.49307 0.09991 1.00000
Se6 Se 0.72113 0.96752 0.39519 1.00000
Se7 Se 0.02887 0.92406 0.74639 1.00000
Se8 Se 0.90507 0.65611 0.59304 1.00000
Se9 Se 0.68797 0.09493 0.75104 1.00000
Se10 Se 0.17767 0.28248 0.25361 1.00000
Se11 Se 0.34389 0.93693 0.24896 1.00000
Se12 Se 0.71752 0.97113 0.89519 1.00000
Se13 Se 0.07594 0.82233 0.10481 1.00000
Se14 Se 0.06307 0.31203 0.40696 1.00000
Se15 Se 0.35899 0.25908 0.75215 1.00000
Se16 Se 0.24307 0.99092 0.59991 1.00000
Se17 Se 0.03248 0.42767 0.75361 1.00000
Se18 Se 0.50693 0.60684 0.24785 1.00000
Se19 Se 0.06203 0.31307 0.90696 1.00000
Se20 Se 0.67406 0.27887 0.24639 1.00000
Se21 Se 0.40611 0.15507 0.09304 1.00000
Se22 Se 0.39101 0.64316 0.40009 1.00000
Se23 Se 0.68693 0.59389 0.74896 1.00000
Se24 Se 0.84493 0.93797 0.25104 1.00000
