Ce5HIr2
Alexandria ALEXAlex-ID: agm003470397 · Space group: Fmm2 (#42)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5_193_spg107
Ce5Ir3 CeH2 Ce7Ir3
2022-03-24 05:16:35.564500
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003470397).
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 agm003470397
data_agm003470397
_cell_length_a 6.64492
_cell_length_b 6.64480
_cell_length_c 6.09894
_cell_angle_alpha 121.12464
_cell_angle_beta 121.13298
_cell_angle_gamma 93.05402
_cell_volume 177.44412
_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 0.82962 0.29916 0.13025 1.00000
Ce2 Ce 0.22634 0.22634 0.87721 1.00000
Ce3 Ce 0.64896 0.64896 0.87479 1.00000
Ce4 Ce 0.29913 0.82961 0.13021 1.00000
Ce5 Ce 0.69698 0.69693 0.38812 1.00000
H1 H 0.98951 0.98950 0.97886 1.00000
Ir1 Ir 0.29326 0.79323 0.58728 1.00000
Ir2 Ir 0.79321 0.29328 0.58729 1.00000
Get direct link