Ba3LiIn2
Alexandria ALEXAlex-ID: agm005677462 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_570_spg65
Ba2In BaLiIn
2023-08-22 10:58:01.667705
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005677462).
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 agm005677462
data_agm005677462
_cell_length_a 4.34896
_cell_length_b 6.04481
_cell_length_c 9.53947
_cell_angle_alpha 108.47150
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 237.85995
_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
Ba1 Ba 0.50000 0.50000 0.00000 1.00000
Ba2 Ba 0.50000 0.82921 0.65842 1.00000
Ba3 Ba 0.50000 0.17079 0.34158 1.00000
Li1 Li 0.00000 0.00000 0.00000 1.00000
In1 In 0.00000 0.33650 0.67300 1.00000
In2 In 0.00000 0.66350 0.32700 1.00000
