Cu4Ir5
Alexandria ALEXAlex-ID: agm005503514 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A4B5_52_spg139
Ir Cu
2023-03-19 12:55:32.284295
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005503514).
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
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# CIF generated by HEAS from Alexandria entry agm005503514
data_agm005503514
_cell_length_a 5.99088
_cell_length_b 5.99088
_cell_length_c 5.99088
_cell_angle_alpha 95.78440
_cell_angle_beta 95.78440
_cell_angle_gamma 142.98037
_cell_volume 122.76182
_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
Cu1 Cu 0.33700 0.00000 0.33700 1.00000
Cu2 Cu 0.66300 0.00000 0.66300 1.00000
Cu3 Cu 0.00000 0.66300 0.66300 1.00000
Cu4 Cu 0.00000 0.33700 0.33700 1.00000
Ir1 Ir 0.00000 0.00000 0.00000 1.00000
Ir2 Ir 0.33349 0.66651 0.00000 1.00000
Ir3 Ir 0.66651 0.66651 0.33301 1.00000
Ir4 Ir 0.33349 0.33349 0.66699 1.00000
Ir5 Ir 0.66651 0.33349 0.00000 1.00000
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