ZnCd12Ag7
Alexandria ALEXAlex-ID: agm005802313 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB7C12_24_spg148
Cd8Ag5 Zn2Ag Cd2Ag
2023-07-16 14:56:17.237259
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005802313).
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 agm005802313
data_agm005802313
_cell_length_a 9.06690
_cell_length_b 7.88047
_cell_length_c 7.88047
_cell_angle_alpha 73.77733
_cell_angle_beta 67.44824
_cell_angle_gamma 112.55175
_cell_volume 415.90902
_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
Zn1 Zn 0.00000 0.00000 0.00000 1.00000
Cd1 Cd 0.86498 0.51958 0.19070 1.00000
Cd2 Cd 0.94432 0.80930 0.71028 1.00000
Cd3 Cd 0.57011 0.35733 0.08358 1.00000
Cd4 Cd 0.34631 0.91642 0.44091 1.00000
Cd5 Cd 0.65460 0.71028 0.48042 1.00000
Cd6 Cd 0.78722 0.44091 0.64267 1.00000
Cd7 Cd 0.21278 0.55909 0.35733 1.00000
Cd8 Cd 0.34540 0.28972 0.51958 1.00000
Cd9 Cd 0.65369 0.08358 0.55909 1.00000
Cd10 Cd 0.42989 0.64267 0.91642 1.00000
Cd11 Cd 0.05568 0.19070 0.28972 1.00000
Cd12 Cd 0.13502 0.48042 0.80930 1.00000
Ag1 Ag 0.75740 0.12007 0.15295 1.00000
Ag2 Ag 0.08965 0.84705 0.27302 1.00000
Ag3 Ag 0.36267 0.27302 0.87993 1.00000
Ag4 Ag 0.50000 0.00000 0.00000 1.00000
Ag5 Ag 0.63733 0.72698 0.12007 1.00000
Ag6 Ag 0.91035 0.15295 0.72698 1.00000
Ag7 Ag 0.24260 0.87993 0.84705 1.00000
