CeIrI
Alexandria ALEXAlex-ID: agm005678145 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_317_spg166
CeIr2 CeIr CeI3
2023-06-17 17:02:28.301139
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005678145).
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 agm005678145
data_agm005678145
_cell_length_a 4.35230
_cell_length_b 4.35230
_cell_length_c 12.20389
_cell_angle_alpha 90.11928
_cell_angle_beta 100.15388
_cell_angle_gamma 119.98922
_cell_volume 195.98101
_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 0.89633 0.44707 0.34341 1.00000
Ce2 Ce 0.10367 0.55293 0.65659 1.00000
Ir1 Ir 0.33155 0.16578 0.49734 1.00000
Ir2 Ir 0.66845 0.83422 0.50266 1.00000
I1 I 0.55675 0.28031 0.83706 1.00000
I2 I 0.44325 0.71969 0.16294 1.00000
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