CeTaBeO6
Alexandria ALEXAlex-ID: agm005100901 · Space group: P312 (#149)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD6_14_spg149
CeO2 CeO4 Ta2O5 BeO
2022-08-06 08:28:19.684148
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005100901).
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 agm005100901
data_agm005100901
_cell_length_a 4.93510
_cell_length_b 5.01489
_cell_length_c 5.01489
_cell_angle_alpha 120.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 107.48540
_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 0.00000 0.33333 0.66667 1.00000
Ta1 Ta 0.50000 0.66667 0.33333 1.00000
Be1 Be 0.50000 0.00000 0.00000 1.00000
O1 O 0.71815 0.70184 0.68328 1.00000
O2 O 0.71815 0.31672 0.01855 1.00000
O3 O 0.71815 0.98145 0.29816 1.00000
O4 O 0.28185 0.31672 0.29816 1.00000
O5 O 0.28185 0.70184 0.01855 1.00000
O6 O 0.28185 0.98145 0.68328 1.00000
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