Ba3Cd5Ag6
Alexandria ALEXAlex-ID: agm005704536 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B5C6_14_spg71
BaCd3Ag2 BaAg2
2023-06-30 05:46:17.879470
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005704536).
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 agm005704536
data_agm005704536
_cell_length_a 4.92616
_cell_length_b 9.27850
_cell_length_c 9.27850
_cell_angle_alpha 68.42253
_cell_angle_beta 74.60566
_cell_angle_gamma 74.60566
_cell_volume 373.50462
_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 0.00000 0.00000 0.00000 1.00000
Ba2 Ba 0.68874 0.31126 0.31126 1.00000
Ba3 Ba 0.31126 0.68874 0.68874 1.00000
Cd1 Cd 0.67503 0.67476 0.97518 1.00000
Cd2 Cd 0.32497 0.32524 0.02482 1.00000
Cd3 Cd 0.67503 0.97518 0.67476 1.00000
Cd4 Cd 0.32497 0.02482 0.32524 1.00000
Cd5 Cd 0.00000 0.50000 0.50000 1.00000
Ag1 Ag 0.50000 0.71077 0.28923 1.00000
Ag2 Ag 0.50000 0.28923 0.71077 1.00000
Ag3 Ag 0.88054 0.39934 0.83958 1.00000
Ag4 Ag 0.11946 0.60066 0.16042 1.00000
Ag5 Ag 0.88054 0.83958 0.39934 1.00000
Ag6 Ag 0.11946 0.16042 0.60066 1.00000
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