Na12SnAu6
Alexandria ALEXAlex-ID: agm006113623 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C12_24_spg148
Na3(SnAu)2 Na6Sn2Au Na2Au
2023-08-26 00:33:29.303717
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006113623).
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 agm006113623
data_agm006113623
_cell_length_a 7.76294
_cell_length_b 7.76294
_cell_length_c 7.76295
_cell_angle_alpha 88.51622
_cell_angle_beta 88.51622
_cell_angle_gamma 88.51624
_cell_volume 467.35816
_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 0.47178 0.18644 0.58547 1.00000
Na2 Na 0.18644 0.58547 0.47178 1.00000
Na3 Na 0.58547 0.47178 0.18644 1.00000
Na4 Na 0.52822 0.81356 0.41453 1.00000
Na5 Na 0.81356 0.41453 0.52822 1.00000
Na6 Na 0.41453 0.52822 0.81356 1.00000
Na7 Na 0.85226 0.97330 0.61689 1.00000
Na8 Na 0.38311 0.14774 0.02670 1.00000
Na9 Na 0.02670 0.38311 0.14774 1.00000
Na10 Na 0.14774 0.02670 0.38311 1.00000
Na11 Na 0.61689 0.85226 0.97330 1.00000
Na12 Na 0.97330 0.61689 0.85226 1.00000
Sn1 Sn 0.00000 0.00000 0.00000 1.00000
Au1 Au 0.11430 0.26555 0.74102 1.00000
Au2 Au 0.73445 0.25898 0.88570 1.00000
Au3 Au 0.25898 0.88570 0.73445 1.00000
Au4 Au 0.88570 0.73445 0.25898 1.00000
Au5 Au 0.26555 0.74102 0.11430 1.00000
Au6 Au 0.74102 0.11430 0.26555 1.00000
Get direct link