CeTiO4
Alexandria ALEXAlex-ID: agm005754284 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1132_spg11
CeO2 TiO2
2023-07-30 23:58:23.724270
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005754284).
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 agm005754284
data_agm005754284
_cell_length_a 4.11948
_cell_length_b 6.37245
_cell_length_c 7.30352
_cell_angle_alpha 90.00001
_cell_angle_beta 90.00000
_cell_angle_gamma 111.45309
_cell_volume 178.44245
_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 0.55200 0.63800 0.25000 1.00000
Ce2 Ce 0.44800 0.36200 0.75000 1.00000
Ti1 Ti 0.34130 0.08938 0.25000 1.00000
Ti2 Ti 0.65870 0.91062 0.75000 1.00000
O1 O 0.11368 0.75145 0.25000 1.00000
O2 O 0.88632 0.24855 0.75000 1.00000
O3 O 0.75881 0.02556 0.25000 1.00000
O4 O 0.24119 0.97444 0.75000 1.00000
O5 O 0.57601 0.70370 0.93031 1.00000
O6 O 0.42399 0.29630 0.43031 1.00000
O7 O 0.57601 0.70370 0.56969 1.00000
O8 O 0.42399 0.29630 0.06969 1.00000
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