Ce3Y4O12
Alexandria ALEXAlex-ID: agm003223752 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C12_8_spg8
CeO2 Y2O3
2021-12-17 00:25:03.152805
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003223752).
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 agm003223752
data_agm003223752
_cell_length_a 13.94073
_cell_length_b 13.94073
_cell_length_c 5.49298
_cell_angle_alpha 78.68372
_cell_angle_beta 78.68372
_cell_angle_gamma 15.47681
_cell_volume 279.22636
_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 0.85681 0.85681 0.15116 1.00000
Ce2 Ce 0.28017 0.28017 0.71988 1.00000
Ce3 Ce 0.42514 0.42514 0.57406 1.00000
Y1 Y 0.00426 0.00426 0.05252 1.00000
Y2 Y 0.57240 0.57240 0.42585 1.00000
Y3 Y 0.71812 0.71812 0.28763 1.00000
Y4 Y 0.14222 0.14222 0.79923 1.00000
O1 O 0.20222 0.20222 0.03296 1.00000
O2 O 0.08536 0.08536 0.16055 1.00000
O3 O 0.92639 0.92639 0.33419 1.00000
O4 O 0.35692 0.35692 0.39995 1.00000
O5 O 0.50147 0.50147 0.26902 1.00000
O6 O 0.78735 0.78735 0.46263 1.00000
O7 O 0.05496 0.05496 0.68489 1.00000
O8 O 0.21702 0.21702 0.52633 1.00000
O9 O 0.64070 0.64070 0.58486 1.00000
O10 O 0.78480 0.78480 0.96594 1.00000
O11 O 0.35999 0.35999 0.89716 1.00000
O12 O 0.94085 0.94085 0.81406 1.00000
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