LiInGa2
Alexandria ALEXAlex-ID: agm005677864 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_30_spg63
Li2Ga3 Li2Ga7 In
2023-07-14 16:53:38.165874
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005677864).
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 agm005677864
data_agm005677864
_cell_length_a 4.32314
_cell_length_b 6.27959
_cell_length_c 6.60809
_cell_angle_alpha 89.99968
_cell_angle_beta 89.99916
_cell_angle_gamma 110.83336
_cell_volume 167.66440
_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 0.54563 0.08543 0.25000 1.00000
Li2 Li 0.45437 0.91457 0.75000 1.00000
In1 In 0.27020 0.55068 0.25000 1.00000
In2 In 0.72980 0.44932 0.75000 1.00000
Ga1 Ga 0.89364 0.78889 0.45206 1.00000
Ga2 Ga 0.10636 0.21111 0.54794 1.00000
Ga3 Ga 0.10637 0.21111 0.95206 1.00000
Ga4 Ga 0.89363 0.78889 0.04794 1.00000
Get direct link