Y4Ir5
Alexandria ALEXAlex-ID: agm005503525 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A4B5_4_spg139
Y4Ir3 YIr2
2023-03-19 15:55:28.896520
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005503525).
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 agm005503525
data_agm005503525
_cell_length_a 6.91874
_cell_length_b 6.91874
_cell_length_c 6.91874
_cell_angle_alpha 95.25223
_cell_angle_beta 95.25223
_cell_angle_gamma 144.77756
_cell_volume 182.06369
_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
Y1 Y 0.00000 0.71161 0.71161 1.00000
Y2 Y 0.00000 0.28839 0.28839 1.00000
Y3 Y 0.71161 0.00000 0.71161 1.00000
Y4 Y 0.28839 0.00000 0.28839 1.00000
Ir1 Ir 0.00000 0.00000 0.00000 1.00000
Ir2 Ir 0.66289 0.66289 0.32579 1.00000
Ir3 Ir 0.33711 0.33711 0.67421 1.00000
Ir4 Ir 0.66289 0.33711 0.00000 1.00000
Ir5 Ir 0.33711 0.66289 0.00000 1.00000
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