Ba3Li7Ga2
Alexandria ALEXAlex-ID: agm024863625 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_54_spg12
Li4Ga BaLiGa Ba
2025-05-16 23:04:19
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024863625).
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 agm024863625
data_agm024863625
_cell_length_a 10.58799
_cell_length_b 10.58799
_cell_length_c 10.58799
_cell_angle_alpha 34.52107
_cell_angle_beta 34.52107
_cell_angle_gamma 34.52107
_cell_volume 340.09601
_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 0.00000 0.00000 0.00000 1.00000
Ba2 Ba 0.14513 0.14513 0.14513 1.00000
Ba3 Ba 0.85487 0.85487 0.85487 1.00000
Li1 Li 0.50000 0.50000 0.50000 1.00000
Li2 Li 0.08074 0.56843 0.56843 1.00000
Li3 Li 0.56843 0.56843 0.08074 1.00000
Li4 Li 0.56843 0.08074 0.56843 1.00000
Li5 Li 0.91926 0.43157 0.43157 1.00000
Li6 Li 0.43157 0.91926 0.43157 1.00000
Li7 Li 0.43157 0.43157 0.91926 1.00000
Ga1 Ga 0.33073 0.33073 0.33073 1.00000
Ga2 Ga 0.66927 0.66927 0.66927 1.00000
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