Ba3(GaAg2)2
Alexandria ALEXAlex-ID: agm005607238 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_277_spg12
BaGa2 BaAg2
2023-06-27 00:28:04.001255
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005607238).
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 agm005607238
data_agm005607238
_cell_length_a 4.80666
_cell_length_b 6.62884
_cell_length_c 9.40722
_cell_angle_alpha 102.45328
_cell_angle_beta 90.00000
_cell_angle_gamma 111.25729
_cell_volume 271.76334
_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 0.66413 0.32825 0.66957 1.00000
Ba2 Ba 0.00000 0.00000 0.00000 1.00000
Ba3 Ba 0.33587 0.67175 0.33043 1.00000
Ga1 Ga 0.61209 0.22418 0.28653 1.00000
Ga2 Ga 0.38791 0.77582 0.71347 1.00000
Ag1 Ag 0.71611 0.43222 0.06350 1.00000
Ag2 Ag 0.28389 0.56778 0.93650 1.00000
Ag3 Ag 0.93657 0.87315 0.61346 1.00000
Ag4 Ag 0.06343 0.12685 0.38654 1.00000
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