Na5CeO6
Alexandria ALEXAlex-ID: agm005242097 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_184_spg12
Na3O4 Na6Ce2O7 Na2O
2023-05-10 01:02:37.293967
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005242097).
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 agm005242097
data_agm005242097
_cell_length_a 5.90425
_cell_length_b 5.90425
_cell_length_c 5.87567
_cell_angle_alpha 79.98432
_cell_angle_beta 79.98432
_cell_angle_gamma 119.68331
_cell_volume 166.94561
_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 0.82843 0.17157 0.00000 1.00000
Na2 Na 0.17157 0.82843 0.00000 1.00000
Na3 Na 0.50000 0.50000 0.00000 1.00000
Na4 Na 0.33292 0.66708 0.50000 1.00000
Na5 Na 0.66708 0.33292 0.50000 1.00000
Ce1 Ce 0.00000 0.00000 0.50000 1.00000
O1 O 0.21996 0.21996 0.72018 1.00000
O2 O 0.78004 0.78004 0.27982 1.00000
O3 O 0.62328 0.92310 0.73322 1.00000
O4 O 0.37672 0.07690 0.26678 1.00000
O5 O 0.07690 0.37672 0.26678 1.00000
O6 O 0.92310 0.62328 0.73322 1.00000
Get direct link