Li6In2Au
Alexandria ALEXAlex-ID: agm017265036 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_49_spg12
Li2In Li2InAu Li3Au
2025-01-04 11:48:06
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017265036).
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 agm017265036
data_agm017265036
_cell_length_a 5.43883
_cell_length_b 5.43883
_cell_length_c 7.17237
_cell_angle_alpha 76.98006
_cell_angle_beta 103.01994
_cell_angle_gamma 129.77478
_cell_volume 157.93492
_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 0.29713 0.70287 0.67659 1.00000
Li2 Li 0.70287 0.29713 0.32341 1.00000
Li3 Li 0.92881 0.07119 0.64591 1.00000
Li4 Li 0.84650 0.15350 0.02087 1.00000
Li5 Li 0.07119 0.92881 0.35409 1.00000
Li6 Li 0.15350 0.84650 0.97913 1.00000
In1 In 0.38200 0.61800 0.31994 1.00000
In2 In 0.61800 0.38200 0.68006 1.00000
Au1 Au 0.50000 0.50000 0.00000 1.00000
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