CsCeAuI6
Alexandria ALEXAlex-ID: agm005099664 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD6_289_spg1
AuI3 Ce2AuI8 Cs2CeI6 AuI
2022-12-16 03:06:38.770111
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005099664).
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 agm005099664
data_agm005099664
_cell_length_a 8.58610
_cell_length_b 7.39198
_cell_length_c 7.70541
_cell_angle_alpha 84.48399
_cell_angle_beta 106.33591
_cell_angle_gamma 77.29917
_cell_volume 451.25762
_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
Cs1 Cs 0.12756 0.15186 0.98350 1.00000
Ce1 Ce 0.64216 0.64906 0.49463 1.00000
Au1 Au 0.45272 0.28525 0.53805 1.00000
I1 I 0.89373 0.34102 0.42521 1.00000
I2 I 0.35691 0.95980 0.56602 1.00000
I3 I 0.63080 0.39734 0.83654 1.00000
I4 I 0.91695 0.76459 0.75881 1.00000
I5 I 0.35123 0.53088 0.22041 1.00000
I6 I 0.62769 0.92025 0.17675 1.00000
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