Na3Sb2
Alexandria ALEXAlex-ID: agm005217954 · Space group: R-3c (#167)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3_883_spg167
NaSb Na3Sb
2022-09-22 13:34:45
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005217954).
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
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# CIF generated by HEAS from Alexandria entry agm005217954
data_agm005217954
_cell_length_a 9.15305
_cell_length_b 9.15305
_cell_length_c 6.69980
_cell_angle_alpha 46.91493
_cell_angle_beta 46.91493
_cell_angle_gamma 60.00000
_cell_volume 298.80753
_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
Sb1 Sb 0.87669 0.87669 0.36994 1.00000
Sb2 Sb 0.37669 0.37669 0.86994 1.00000
Sb3 Sb 0.12331 0.12331 0.63006 1.00000
Sb4 Sb 0.62331 0.62331 0.13006 1.00000
Na1 Na 0.06582 0.75000 0.75000 1.00000
Na2 Na 0.75000 0.43418 0.75000 1.00000
Na3 Na 0.43418 0.06582 0.75000 1.00000
Na4 Na 0.25000 0.56582 0.25000 1.00000
Na5 Na 0.56582 0.93418 0.25000 1.00000
Na6 Na 0.93418 0.25000 0.25000 1.00000
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