Na2CeO3
Alexandria ALEXAlex-ID: agm005235897 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_43_spg5
Na2CeO3
2023-05-09 23:21:20.593758
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005235897).
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 agm005235897
data_agm005235897
_cell_length_a 6.05966
_cell_length_b 6.05966
_cell_length_c 11.29407
_cell_angle_alpha 84.74315
_cell_angle_beta 84.74315
_cell_angle_gamma 120.13128
_cell_volume 352.57731
_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 0.65868 0.81627 0.00037 1.00000
Na2 Na 0.18373 0.34132 0.49963 1.00000
Na3 Na 0.34132 0.18373 0.99963 1.00000
Na4 Na 0.81627 0.65868 0.50037 1.00000
Na5 Na 0.00000 0.50000 0.00000 1.00000
Na6 Na 0.50000 0.00000 0.50000 1.00000
Na7 Na 0.41495 0.58505 0.75000 1.00000
Na8 Na 0.58505 0.41495 0.25000 1.00000
Ce1 Ce 0.74906 0.25094 0.75000 1.00000
Ce2 Ce 0.25094 0.74906 0.25000 1.00000
Ce3 Ce 0.08174 0.91826 0.75000 1.00000
Ce4 Ce 0.91826 0.08174 0.25000 1.00000
O1 O 0.74178 0.54599 0.86094 1.00000
O2 O 0.45401 0.25822 0.63906 1.00000
O3 O 0.25822 0.45401 0.13906 1.00000
O4 O 0.54599 0.74178 0.36094 1.00000
O5 O 0.37839 0.91442 0.85747 1.00000
O6 O 0.08558 0.62161 0.64253 1.00000
O7 O 0.62161 0.08558 0.14253 1.00000
O8 O 0.91442 0.37839 0.35747 1.00000
O9 O 0.01376 0.18239 0.85750 1.00000
O10 O 0.81761 0.98624 0.64250 1.00000
O11 O 0.98624 0.81761 0.14250 1.00000
O12 O 0.18239 0.01376 0.35750 1.00000
