Cd(AgAu3)2
Alexandria ALEXAlex-ID: agm045676579 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_320_spg44
AgAu CdAgAu2 AgAu6
2025-01-22 05:00:04
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm045676579).
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 agm045676579
data_agm045676579
_cell_length_a 5.10053
_cell_length_b 5.10053
_cell_length_c 8.73490
_cell_angle_alpha 73.82694
_cell_angle_beta 106.17306
_cell_angle_gamma 130.63900
_cell_volume 164.13574
_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
Cd1 Cd 0.00000 0.00000 0.00000 1.00000
Ag1 Ag 0.33407 0.66593 0.44601 1.00000
Ag2 Ag 0.66593 0.33407 0.55399 1.00000
Au1 Au 0.99997 0.00003 0.33475 1.00000
Au2 Au 0.33157 0.66843 0.77421 1.00000
Au3 Au 0.66843 0.33157 0.22579 1.00000
Au4 Au 0.33333 0.66667 0.11264 1.00000
Au5 Au 0.66667 0.33333 0.88736 1.00000
Au6 Au 0.00003 0.99997 0.66525 1.00000
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