CeCd2(AuO2)3
Alexandria ALEXAlex-ID: agm017889672 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_1_spg12
CeO2 CdAuO2 Au
2024-10-25 16:13:34.773880
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017889672).
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 agm017889672
data_agm017889672
_cell_length_a 6.07003
_cell_length_b 6.07003
_cell_length_c 6.61784
_cell_angle_alpha 81.21998
_cell_angle_beta 81.21998
_cell_angle_gamma 120.03717
_cell_volume 201.00041
_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 0.00000 0.00000 1.00000
Cd1 Cd 0.33326 0.66674 0.00000 1.00000
Cd2 Cd 0.66674 0.33326 0.00000 1.00000
Au1 Au 0.16084 0.83916 0.50000 1.00000
Au2 Au 0.83916 0.16084 0.50000 1.00000
Au3 Au 0.50000 0.50000 0.50000 1.00000
O1 O 0.26614 0.94004 0.17965 1.00000
O2 O 0.38731 0.38731 0.82026 1.00000
O3 O 0.73386 0.05996 0.82035 1.00000
O4 O 0.94004 0.26614 0.17965 1.00000
O5 O 0.61269 0.61269 0.17974 1.00000
O6 O 0.05996 0.73386 0.82035 1.00000
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