Na2Zn12Au7
Alexandria ALEXAlex-ID: agm005673985 · Space group: P-3 (#147)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B7C12_5_spg147
Na(ZnAu)2 Zn2Au Na(Zn2Au)2
2023-06-21 08:12:49.603335
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005673985).
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 agm005673985
data_agm005673985
_cell_length_a 4.19311
_cell_length_b 10.42711
_cell_length_c 10.42712
_cell_angle_alpha 120.00003
_cell_angle_beta 90.00002
_cell_angle_gamma 90.00001
_cell_volume 394.81614
_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
Na1 Na 0.25011 0.33333 0.66667 1.00000
Na2 Na 0.74989 0.66667 0.33333 1.00000
Zn1 Zn 0.24972 0.60939 0.04141 1.00000
Zn2 Zn 0.24972 0.43202 0.39061 1.00000
Zn3 Zn 0.24972 0.95859 0.56798 1.00000
Zn4 Zn 0.75028 0.39061 0.95859 1.00000
Zn5 Zn 0.75028 0.56798 0.60939 1.00000
Zn6 Zn 0.75028 0.04141 0.43202 1.00000
Zn7 Zn 0.23995 0.11583 0.26435 1.00000
Zn8 Zn 0.23995 0.14852 0.88417 1.00000
Zn9 Zn 0.23995 0.73565 0.85148 1.00000
Zn10 Zn 0.76005 0.88417 0.73565 1.00000
Zn11 Zn 0.76005 0.85148 0.11583 1.00000
Zn12 Zn 0.76005 0.26435 0.14852 1.00000
Au1 Au 0.50000 0.00000 0.00000 1.00000
Au2 Au 0.25075 0.87005 0.28369 1.00000
Au3 Au 0.25075 0.41364 0.12995 1.00000
Au4 Au 0.25075 0.71631 0.58636 1.00000
Au5 Au 0.74925 0.12995 0.71631 1.00000
Au6 Au 0.74925 0.58636 0.87005 1.00000
Au7 Au 0.74925 0.28369 0.41364 1.00000
