Al6CuIr5
Alexandria ALEXAlex-ID: agm064967553 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_89_spg12
Al2CuIr AlIr
2024-12-04 18:41:29
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm064967553).
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 agm064967553
data_agm064967553
_cell_length_a 6.82132
_cell_length_b 6.82132
_cell_length_c 5.90077
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 143.15841
_cell_volume 164.63069
_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
Al1 Al 0.66604 0.33396 0.25290 1.00000
Al2 Al 0.66604 0.33396 0.74710 1.00000
Al3 Al 0.00000 0.00000 0.74489 1.00000
Al4 Al 0.00000 0.00000 0.25511 1.00000
Al5 Al 0.33396 0.66604 0.25290 1.00000
Al6 Al 0.33396 0.66604 0.74710 1.00000
Cu1 Cu 0.50000 0.50000 0.50000 1.00000
Ir1 Ir 0.83352 0.16648 0.00000 1.00000
Ir2 Ir 0.16602 0.83398 0.50000 1.00000
Ir3 Ir 0.50000 0.50000 0.00000 1.00000
Ir4 Ir 0.83398 0.16602 0.50000 1.00000
Ir5 Ir 0.16648 0.83352 0.00000 1.00000
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