Ba5Ag2
Alexandria ALEXAlex-ID: agm003288403 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5_42_spg15
Ba3Ag2 Ba
2022-01-15 18:30:37.470106
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003288403).
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 agm003288403
data_agm003288403
_cell_length_a 7.80171
_cell_length_b 8.83457
_cell_length_c 10.61527
_cell_angle_alpha 97.14110
_cell_angle_beta 111.56005
_cell_angle_gamma 90.00000
_cell_volume 674.35694
_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 0.19697 0.41944 0.18926 1.00000
Ba2 Ba 0.00771 0.08056 0.81074 1.00000
Ba3 Ba 0.20575 0.68487 0.56800 1.00000
Ba4 Ba 0.63775 0.81513 0.43200 1.00000
Ba5 Ba 0.79425 0.31513 0.43200 1.00000
Ba6 Ba 0.36225 0.18487 0.56800 1.00000
Ba7 Ba 0.99229 0.91944 0.18926 1.00000
Ba8 Ba 0.80303 0.58056 0.81074 1.00000
Ba9 Ba 0.58315 0.25000 1.00000 1.00000
Ba10 Ba 0.41685 0.75000 0.00000 1.00000
Ag1 Ag 0.19452 0.42031 0.78123 1.00000
Ag2 Ag 0.41329 0.07969 0.21877 1.00000
Ag3 Ag 0.80548 0.57969 0.21877 1.00000
Ag4 Ag 0.58671 0.92031 0.78123 1.00000
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