Ba3In2Ga
Alexandria ALEXAlex-ID: agm005676283 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2455_spg14
BaIn Ba8Ga7 BaGa2
2023-08-18 08:57:26.382600
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005676283).
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 agm005676283
data_agm005676283
_cell_length_a 8.32515
_cell_length_b 11.13560
_cell_length_c 14.25252
_cell_angle_alpha 90.00000
_cell_angle_beta 134.58499
_cell_angle_gamma 90.00000
_cell_volume 941.03412
_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 0.38139 0.86674 0.03129 1.00000
Ba2 Ba 0.11861 0.36674 0.46871 1.00000
Ba3 Ba 0.61861 0.13326 0.96871 1.00000
Ba4 Ba 0.88139 0.63326 0.53129 1.00000
Ba5 Ba 0.31301 0.56226 0.13997 1.00000
Ba6 Ba 0.18699 0.06226 0.36003 1.00000
Ba7 Ba 0.68699 0.43774 0.86003 1.00000
Ba8 Ba 0.81301 0.93774 0.63997 1.00000
Ba9 Ba 0.00462 0.68922 0.25845 1.00000
Ba10 Ba 0.49538 0.18922 0.24155 1.00000
Ba11 Ba 0.99538 0.31078 0.74155 1.00000
Ba12 Ba 0.50462 0.81078 0.75845 1.00000
In1 In 0.84432 0.91412 0.38509 1.00000
In2 In 0.65568 0.41412 0.11491 1.00000
In3 In 0.15568 0.08588 0.61491 1.00000
In4 In 0.34432 0.58588 0.88509 1.00000
In5 In 0.51380 0.60329 0.57681 1.00000
In6 In 0.98620 0.10329 0.92319 1.00000
In7 In 0.48620 0.39671 0.42319 1.00000
In8 In 0.01380 0.89671 0.07681 1.00000
Ga1 Ga 0.44656 0.83843 0.31635 1.00000
Ga2 Ga 0.05344 0.33843 0.18365 1.00000
Ga3 Ga 0.55344 0.16157 0.68365 1.00000
Ga4 Ga 0.94656 0.66157 0.81635 1.00000
