Na5Al2Sb5
Alexandria ALEXAlex-ID: agm003374428 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C5_85_spg12
Na2Al2Sb3 Na7Al2Sb5 Sb
2022-02-08 19:42:06.387759
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003374428).
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 agm003374428
data_agm003374428
_cell_length_a 5.01772
_cell_length_b 6.69860
_cell_length_c 11.40931
_cell_angle_alpha 106.18411
_cell_angle_beta 90.00000
_cell_angle_gamma 111.99558
_cell_volume 339.12737
_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 0.00000 0.50000 1.00000
Na2 Na 0.64557 0.29114 0.02654 1.00000
Na3 Na 0.71013 0.42027 0.36341 1.00000
Na4 Na 0.28987 0.57973 0.63659 1.00000
Na5 Na 0.35443 0.70886 0.97346 1.00000
Al1 Al 0.09736 0.19472 0.80124 1.00000
Al2 Al 0.90264 0.80528 0.19876 1.00000
Sb1 Sb 0.07198 0.14395 0.40942 1.00000
Sb2 Sb 0.73085 0.46171 0.79983 1.00000
Sb3 Sb 0.26915 0.53829 0.20017 1.00000
Sb4 Sb 0.92802 0.85605 0.59058 1.00000
Sb5 Sb 0.00000 0.00000 0.00000 1.00000
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