Na5AlZn6
Alexandria ALEXAlex-ID: agm006136174 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_54_spg12
Al6Zn Na NaZn2
2023-09-01 12:35:37.424862
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006136174).
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 agm006136174
data_agm006136174
_cell_length_a 9.80131
_cell_length_b 5.57397
_cell_length_c 5.58952
_cell_angle_alpha 60.09303
_cell_angle_beta 84.73726
_cell_angle_gamma 79.39783
_cell_volume 260.18465
_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 0.50000 0.17232 0.65537 1.00000
Na2 Na 0.00000 0.66712 0.66577 1.00000
Na3 Na 1.00000 0.33288 0.33423 1.00000
Na4 Na 0.50000 0.50000 0.00000 1.00000
Na5 Na 0.50000 0.82768 0.34463 1.00000
Zn1 Zn 0.76124 0.78498 1.00000 1.00000
Zn2 Zn 0.76192 0.07957 0.28942 1.00000
Zn3 Zn 0.23808 0.63101 0.28942 1.00000
Zn4 Zn 0.23808 0.92043 0.71058 1.00000
Zn5 Zn 0.76192 0.36899 0.71058 1.00000
Zn6 Zn 0.23876 0.21502 0.00000 1.00000
Al1 Al 0.00000 0.00000 0.00000 1.00000
Get direct link