CeTiCdSbO7
Alexandria ALEXAlex-ID: agm011297567 · Space group: P4_122 (#91)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCDE7_9_spg91
Cd2Sb2O7 TiCdO3 CeO2 TiO2 Sb2O3
2025-01-19 01:19:45
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011297567).
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 agm011297567
data_agm011297567
_cell_length_a 7.36673
_cell_length_b 7.36673
_cell_length_c 10.48713
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 569.12244
_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 0.74116 0.00000 1.00000
Ce2 Ce 0.74116 0.00000 0.75000 1.00000
Ce3 Ce 0.00000 0.25884 0.50000 1.00000
Ce4 Ce 0.25884 0.00000 0.25000 1.00000
Ti1 Ti 0.76082 0.00000 0.25000 1.00000
Ti2 Ti 0.00000 0.76082 0.50000 1.00000
Ti3 Ti 0.00000 0.23918 0.00000 1.00000
Ti4 Ti 0.23918 0.00000 0.75000 1.00000
Cd1 Cd 0.50000 0.26474 0.50000 1.00000
Cd2 Cd 0.50000 0.73526 0.00000 1.00000
Cd3 Cd 0.73526 0.50000 0.75000 1.00000
Cd4 Cd 0.26474 0.50000 0.25000 1.00000
Sb1 Sb 0.24255 0.50000 0.75000 1.00000
Sb2 Sb 0.50000 0.75745 0.50000 1.00000
Sb3 Sb 0.50000 0.24255 0.00000 1.00000
Sb4 Sb 0.75745 0.50000 0.25000 1.00000
O1 O 0.25429 0.74571 0.12500 1.00000
O2 O 0.55313 0.94941 0.36918 1.00000
O3 O 0.75111 0.76743 0.57379 1.00000
O4 O 0.74571 0.25429 0.62500 1.00000
O5 O 0.76743 0.75111 0.17621 1.00000
O6 O 0.95406 0.95406 0.37500 1.00000
O7 O 0.04594 0.04594 0.87500 1.00000
O8 O 0.04594 0.95406 0.62500 1.00000
O9 O 0.05059 0.44687 0.88082 1.00000
O10 O 0.24889 0.23257 0.07379 1.00000
O11 O 0.24889 0.76743 0.42621 1.00000
O12 O 0.23257 0.75111 0.82379 1.00000
O13 O 0.23257 0.24889 0.67621 1.00000
O14 O 0.44687 0.05059 0.86918 1.00000
O15 O 0.44687 0.94941 0.63082 1.00000
O16 O 0.44969 0.44969 0.87500 1.00000
O17 O 0.55031 0.55031 0.37500 1.00000
O18 O 0.55313 0.05059 0.13082 1.00000
O19 O 0.55031 0.44969 0.12500 1.00000
O20 O 0.76743 0.24889 0.32379 1.00000
O21 O 0.75111 0.23257 0.92621 1.00000
O22 O 0.95406 0.04594 0.12500 1.00000
O23 O 0.94941 0.55313 0.38082 1.00000
O24 O 0.94941 0.44687 0.11918 1.00000
O25 O 0.05059 0.55313 0.61918 1.00000
O26 O 0.25429 0.25429 0.37500 1.00000
O27 O 0.44969 0.55031 0.62500 1.00000
O28 O 0.74571 0.74571 0.87500 1.00000
