Na2Al5Zn4
Alexandria ALEXAlex-ID: agm005667100 · Space group: Fmmm (#69)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_154_spg69
Al6Zn Na NaZn2
2023-06-22 03:42:34.257331
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005667100).
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 agm005667100
data_agm005667100
_cell_length_a 5.51270
_cell_length_b 5.53892
_cell_length_c 8.73721
_cell_angle_alpha 80.96780
_cell_angle_beta 71.61064
_cell_angle_gamma 60.15647
_cell_volume 219.58986
_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 0.87696 1.00000 0.24608 1.00000
Na2 Na 0.12304 0.00000 0.75392 1.00000
Al1 Al 0.50000 0.00000 0.00000 1.00000
Al2 Al 0.00000 0.50000 0.00000 1.00000
Al3 Al 0.50000 0.50000 0.00000 1.00000
Al4 Al 0.25000 0.50000 0.50000 1.00000
Al5 Al 0.75000 0.50000 0.50000 1.00000
Zn1 Zn 0.48106 0.29981 0.73807 1.00000
Zn2 Zn 0.51894 0.70019 0.26193 1.00000
Zn3 Zn 0.21913 0.29981 0.26193 1.00000
Zn4 Zn 0.78087 0.70019 0.73807 1.00000
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