Zn12CuAu7
Alexandria ALEXAlex-ID: agm005802411 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB7C12_21_spg148
Zn2Au Zn2CuAu ZnAu
2023-07-15 19:20:51.614689
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005802411).
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 agm005802411
data_agm005802411
_cell_length_a 8.60757
_cell_length_b 7.30744
_cell_length_c 7.30744
_cell_angle_alpha 74.41005
_cell_angle_beta 66.88114
_cell_angle_gamma 113.11886
_cell_volume 336.68728
_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 0.84151 0.52749 0.22080 1.00000
Zn2 Zn 0.93769 0.77920 0.74829 1.00000
Zn3 Zn 0.55589 0.34060 0.09648 1.00000
Zn4 Zn 0.34762 0.90352 0.43708 1.00000
Zn5 Zn 0.68598 0.74829 0.47251 1.00000
Zn6 Zn 0.78470 0.43708 0.65940 1.00000
Zn7 Zn 0.21530 0.56292 0.34060 1.00000
Zn8 Zn 0.31402 0.25171 0.52749 1.00000
Zn9 Zn 0.65238 0.09648 0.56292 1.00000
Zn10 Zn 0.44411 0.65940 0.90352 1.00000
Zn11 Zn 0.06231 0.22080 0.25171 1.00000
Zn12 Zn 0.15849 0.47251 0.77920 1.00000
Cu1 Cu 0.00000 0.00000 0.00000 1.00000
Au1 Au 0.77285 0.15929 0.15537 1.00000
Au2 Au 0.07178 0.84463 0.31466 1.00000
Au3 Au 0.38644 0.31466 0.84071 1.00000
Au4 Au 0.50000 0.00000 0.00000 1.00000
Au5 Au 0.61356 0.68534 0.15929 1.00000
Au6 Au 0.92822 0.15537 0.68534 1.00000
Au7 Au 0.22715 0.84071 0.84463 1.00000
