Na2Al7Zn12
Alexandria ALEXAlex-ID: agm005674150 · Space group: P-3 (#147)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B7C12_16_spg147
Al6Zn Al3Zn4 NaZn2
2023-06-21 08:16:25.532609
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005674150).
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 agm005674150
data_agm005674150
_cell_length_a 4.49882
_cell_length_b 9.93435
_cell_length_c 9.93436
_cell_angle_alpha 120.00000
_cell_angle_beta 90.00001
_cell_angle_gamma 90.00002
_cell_volume 384.51018
_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 0.19584 0.33333 0.66667 1.00000
Na2 Na 0.80416 0.66667 0.33333 1.00000
Al1 Al 0.50000 0.00000 0.00000 1.00000
Al2 Al 0.32811 0.88116 0.27915 1.00000
Al3 Al 0.32811 0.39799 0.11884 1.00000
Al4 Al 0.32811 0.72085 0.60201 1.00000
Al5 Al 0.67189 0.11884 0.72085 1.00000
Al6 Al 0.67189 0.60201 0.88116 1.00000
Al7 Al 0.67189 0.27915 0.39799 1.00000
Zn1 Zn 0.19828 0.60892 0.04190 1.00000
Zn2 Zn 0.19828 0.43298 0.39108 1.00000
Zn3 Zn 0.19828 0.95810 0.56702 1.00000
Zn4 Zn 0.80172 0.39108 0.95810 1.00000
Zn5 Zn 0.80172 0.56702 0.60892 1.00000
Zn6 Zn 0.80172 0.04190 0.43298 1.00000
Zn7 Zn 0.16604 0.13009 0.26256 1.00000
Zn8 Zn 0.16604 0.13247 0.86991 1.00000
Zn9 Zn 0.16604 0.73744 0.86753 1.00000
Zn10 Zn 0.83396 0.86991 0.73744 1.00000
Zn11 Zn 0.83396 0.86753 0.13009 1.00000
Zn12 Zn 0.83396 0.26256 0.13247 1.00000
