Cd4Ag3
Alexandria ALEXAlex-ID: agm009851895 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4_105_spg2
Cd8Ag5 CdAg
2024-05-10 22:10:56.684825
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009851895).
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 agm009851895
data_agm009851895
_cell_length_a 5.33556
_cell_length_b 5.33556
_cell_length_c 6.74745
_cell_angle_alpha 84.84887
_cell_angle_beta 84.84887
_cell_angle_gamma 46.27622
_cell_volume 138.15494
_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 0.92888 0.92888 0.71025 1.00000
Cd2 Cd 0.07112 0.07112 0.28975 1.00000
Cd3 Cd 0.78776 0.78776 0.14892 1.00000
Cd4 Cd 0.21224 0.21224 0.85108 1.00000
Ag1 Ag 0.50000 0.50000 0.00000 1.00000
Ag2 Ag 0.64265 0.64265 0.57009 1.00000
Ag3 Ag 0.35735 0.35735 0.42991 1.00000
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