Ba3(ZnAg)2
Alexandria ALEXAlex-ID: agm011736652 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_30_spg166
BaZn2 BaAg
2025-04-19 22:02:59
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011736652).
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
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# CIF generated by HEAS from Alexandria entry agm011736652
data_agm011736652
_cell_length_a 6.71800
_cell_length_b 6.71800
_cell_length_c 8.84440
_cell_angle_alpha 68.61325
_cell_angle_beta 111.38675
_cell_angle_gamma 139.89519
_cell_volume 236.96949
_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 0.32043 0.67957 0.85789 1.00000
Ba2 Ba 0.67957 0.32043 0.14211 1.00000
Ba3 Ba 0.50000 0.50000 0.50000 1.00000
Zn1 Zn 0.80025 0.19975 0.55917 1.00000
Zn2 Zn 0.19975 0.80025 0.44083 1.00000
Ag1 Ag 0.98463 0.01537 0.16977 1.00000
Ag2 Ag 0.01537 0.98463 0.83023 1.00000
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