Na3BiSb2
Alexandria ALEXAlex-ID: agm005677631 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2435_spg14
NaBi NaSb
2023-08-22 23:08:20.494559
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005677631).
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 agm005677631
data_agm005677631
_cell_length_a 11.25732
_cell_length_b 6.96794
_cell_length_c 9.69764
_cell_angle_alpha 89.99988
_cell_angle_beta 116.05392
_cell_angle_gamma 90.00031
_cell_volume 683.38554
_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 0.40411 0.90073 0.07947 1.00000
Na2 Na 0.09589 0.40073 0.42053 1.00000
Na3 Na 0.59589 0.09927 0.92053 1.00000
Na4 Na 0.90411 0.59927 0.57947 1.00000
Na5 Na 0.41108 0.39929 0.08349 1.00000
Na6 Na 0.08893 0.89929 0.41651 1.00000
Na7 Na 0.58892 0.60071 0.91651 1.00000
Na8 Na 0.91107 0.10071 0.58349 1.00000
Na9 Na 0.90451 0.64745 0.07615 1.00000
Na10 Na 0.59549 0.14745 0.42385 1.00000
Na11 Na 0.09549 0.35255 0.92385 1.00000
Na12 Na 0.40451 0.85255 0.57615 1.00000
Bi1 Bi 0.58272 0.66120 0.41482 1.00000
Bi2 Bi 0.91728 0.16120 0.08518 1.00000
Bi3 Bi 0.41728 0.33880 0.58518 1.00000
Bi4 Bi 0.08272 0.83880 0.91482 1.00000
Sb1 Sb 0.74427 0.85953 0.24964 1.00000
Sb2 Sb 0.75573 0.35952 0.25036 1.00000
Sb3 Sb 0.25573 0.14047 0.75036 1.00000
Sb4 Sb 0.24427 0.64048 0.74964 1.00000
Sb5 Sb 0.23788 0.65483 0.23473 1.00000
Sb6 Sb 0.26212 0.15483 0.26527 1.00000
Sb7 Sb 0.76212 0.34517 0.76527 1.00000
Sb8 Sb 0.73788 0.84517 0.73473 1.00000
