Na4Ce3Se8
Alexandria ALEXAlex-ID: agm005705960 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C8_7_spg166
CeSe2 Na2CeSe3
2023-06-29 18:22:16.138246
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005705960).
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 agm005705960
data_agm005705960
_cell_length_a 8.49048
_cell_length_b 8.49048
_cell_length_c 8.91783
_cell_angle_alpha 61.57281
_cell_angle_beta 61.57281
_cell_angle_gamma 60.00002
_cell_volume 465.08709
_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
Na1 Na 0.00000 0.00000 0.00000 1.00000
Na2 Na 0.36066 0.36066 0.91802 1.00000
Na3 Na 0.50000 0.50000 0.50000 1.00000
Na4 Na 0.63934 0.63934 0.08198 1.00000
Ce1 Ce 0.50000 0.00000 0.50000 1.00000
Ce2 Ce 0.00000 0.00000 0.50000 1.00000
Ce3 Ce 0.00000 0.50000 0.50000 1.00000
Se1 Se 0.23459 0.23459 0.29623 1.00000
Se2 Se 0.21872 0.74703 0.28722 1.00000
Se3 Se 0.74703 0.74703 0.28722 1.00000
Se4 Se 0.74703 0.21872 0.28722 1.00000
Se5 Se 0.76541 0.76541 0.70377 1.00000
Se6 Se 0.78128 0.25297 0.71278 1.00000
Se7 Se 0.25297 0.25297 0.71278 1.00000
Se8 Se 0.25297 0.78128 0.71278 1.00000
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