Al4Co3Ir
Alexandria ALEXAlex-ID: agm046834412 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4_344_spg139
Al2CoIr AlCo
2024-11-14 01:07:57.604574
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm046834412).
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 agm046834412
data_agm046834412
_cell_length_a 6.48930
_cell_length_b 6.48930
_cell_length_c 6.48930
_cell_angle_alpha 143.12608
_cell_angle_beta 143.12608
_cell_angle_gamma 53.13613
_cell_volume 97.78653
_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 0.12959 0.62959 0.50000 1.00000
Al2 Al 0.87041 0.37041 0.50000 1.00000
Al3 Al 0.37041 0.87041 0.50000 1.00000
Al4 Al 0.62959 0.12959 0.50000 1.00000
Co1 Co 0.00000 0.00000 0.00000 1.00000
Co2 Co 0.24982 0.24982 0.00000 1.00000
Co3 Co 0.75018 0.75018 0.00000 1.00000
Ir1 Ir 0.50000 0.50000 0.00000 1.00000
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