Ce2SeO
Alexandria ALEXAlex-ID: agm003615596 · Space group: I4_1/amd (#141)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_8236_spg46
CeSe CeO
2022-04-29 10:37:45.934046
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003615596).
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 agm003615596
data_agm003615596
_cell_length_a 5.63000
_cell_length_b 5.62990
_cell_length_c 10.63943
_cell_angle_alpha 90.00130
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 337.23118
_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 0.75033 0.00003 0.89864 1.00000
Ce2 Ce 0.24967 0.99997 0.10136 1.00000
Ce3 Ce 0.75033 0.49997 0.60136 1.00000
Ce4 Ce 0.24967 0.50003 0.39864 1.00000
Ce5 Ce 0.75046 0.50001 0.14862 1.00000
Ce6 Ce 0.24954 0.49999 0.85138 1.00000
Ce7 Ce 0.75046 0.99999 0.35138 1.00000
Ce8 Ce 0.24954 0.00001 0.64862 1.00000
Se1 Se 0.25046 0.00003 0.37499 1.00000
Se2 Se 0.74954 0.99997 0.62501 1.00000
Se3 Se 0.25046 0.49997 0.12501 1.00000
Se4 Se 0.74954 0.50003 0.87499 1.00000
O1 O 0.24919 0.50005 0.62502 1.00000
O2 O 0.75081 0.49995 0.37498 1.00000
O3 O 0.24919 0.99995 0.87498 1.00000
O4 O 0.75081 0.00005 0.12502 1.00000
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