CeY4Ir5
Alexandria ALEXAlex-ID: agm006113763 · Space group: P4/mmm (#123)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5_22_spg123
Y4Ir3 YIr2 CeIr
2023-10-18 08:13:59
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006113763).
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 agm006113763
data_agm006113763
_cell_length_a 3.41242
_cell_length_b 3.41242
_cell_length_c 17.66944
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 205.75410
_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
Y1 Y 0.00000 0.00000 0.20111 1.00000
Y2 Y 0.00000 0.00000 0.40036 1.00000
Y3 Y 0.00000 0.00000 0.59964 1.00000
Y4 Y 0.00000 0.00000 0.79889 1.00000
Ir1 Ir 0.50000 0.50000 0.09793 1.00000
Ir2 Ir 0.50000 0.50000 0.29995 1.00000
Ir3 Ir 0.50000 0.50000 0.50000 1.00000
Ir4 Ir 0.50000 0.50000 0.70005 1.00000
Ir5 Ir 0.50000 0.50000 0.90207 1.00000
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