Ba2Cd4Ag5
Alexandria ALEXAlex-ID: agm005652763 · Space group: Fmmm (#69)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_154_spg69
Ba2(CdAg)5 BaCdAg5 BaAg2
2023-06-21 09:32:15.933436
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005652763).
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 agm005652763
data_agm005652763
_cell_length_a 6.06665
_cell_length_b 6.06665
_cell_length_c 9.53928
_cell_angle_alpha 99.50810
_cell_angle_beta 99.50810
_cell_angle_gamma 118.71905
_cell_volume 291.27587
_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 0.86102 0.86102 0.72203 1.00000
Ba2 Ba 0.13898 0.13898 0.27797 1.00000
Cd1 Cd 0.46878 0.78675 0.25553 1.00000
Cd2 Cd 0.53122 0.21325 0.74447 1.00000
Cd3 Cd 0.21325 0.53122 0.74447 1.00000
Cd4 Cd 0.78675 0.46878 0.25553 1.00000
Ag1 Ag 0.50000 0.50000 0.00000 1.00000
Ag2 Ag 0.50000 0.00000 0.00000 1.00000
Ag3 Ag 0.00000 0.50000 0.00000 1.00000
Ag4 Ag 0.75000 0.25000 0.50000 1.00000
Ag5 Ag 0.25000 0.75000 0.50000 1.00000
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