Ce3YIr3
Alexandria ALEXAlex-ID: agm003544404 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_288_spg12
Ce5Ir3 Y5Ir3 CeIr
2022-04-04 12:39:52.542593
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003544404).
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 agm003544404
data_agm003544404
_cell_length_a 6.91104
_cell_length_b 6.91104
_cell_length_c 7.04623
_cell_angle_alpha 89.44328
_cell_angle_beta 89.44328
_cell_angle_gamma 98.12631
_cell_volume 333.12937
_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 0.64643 0.64643 0.38972 1.00000
Ce2 Ce 0.18485 0.81515 0.50000 1.00000
Ce3 Ce 0.81515 0.18485 0.50000 1.00000
Ce4 Ce 0.24680 0.75320 0.00000 1.00000
Ce5 Ce 0.75320 0.24680 0.00000 1.00000
Ce6 Ce 0.35357 0.35357 0.61028 1.00000
Y1 Y 0.74856 0.74856 0.88411 1.00000
Y2 Y 0.25144 0.25144 0.11589 1.00000
Ir1 Ir 0.93828 0.93828 0.21192 1.00000
Ir2 Ir 0.02847 0.48268 0.76810 1.00000
Ir3 Ir 0.48268 0.02847 0.76810 1.00000
Ir4 Ir 0.97153 0.51732 0.23190 1.00000
Ir5 Ir 0.51732 0.97153 0.23190 1.00000
Ir6 Ir 0.06172 0.06172 0.78808 1.00000
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