Li2Al3Ir2
Alexandria ALEXAlex-ID: agm024996944 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_247_spg12
Li3Al3Ir2 LiAl2Ir LiAl5Ir6
2025-06-24 14:39:19
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024996944).
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 agm024996944
data_agm024996944
_cell_length_a 6.87336
_cell_length_b 6.87336
_cell_length_c 6.87336
_cell_angle_alpha 35.85760
_cell_angle_beta 35.85760
_cell_angle_gamma 35.85760
_cell_volume 99.63295
_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
Li1 Li 0.14405 0.14405 0.14405 1.00000
Li2 Li 0.85595 0.85595 0.85595 1.00000
Al1 Al 0.00000 0.00000 0.00000 1.00000
Al2 Al 0.58059 0.58059 0.58059 1.00000
Al3 Al 0.41941 0.41941 0.41941 1.00000
Ir1 Ir 0.71500 0.71500 0.71500 1.00000
Ir2 Ir 0.28500 0.28500 0.28500 1.00000
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