Li2In2Ir
Alexandria ALEXAlex-ID: agm014355853 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_571_spg12
Li2In2Ir
2025-04-13 23:04:11
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm014355853).
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 agm014355853
data_agm014355853
_cell_length_a 5.55589
_cell_length_b 5.55589
_cell_length_c 5.55589
_cell_angle_alpha 48.08048
_cell_angle_beta 48.08048
_cell_angle_gamma 48.08048
_cell_volume 87.00383
_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 0.19228 0.19228 0.19228 1.00000
Li2 Li 0.80772 0.80772 0.80772 1.00000
In1 In 0.39573 0.39573 0.39573 1.00000
In2 In 0.60427 0.60427 0.60427 1.00000
Ir1 Ir 0.00000 0.00000 0.00000 1.00000
