Na6BiSb8
Alexandria ALEXAlex-ID: agm072866478 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_0_spg148
BiSb Sb NaSb
2024-10-06 19:25:50.427658
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072866478).
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 agm072866478
data_agm072866478
_cell_length_a 8.21482
_cell_length_b 8.21482
_cell_length_c 8.21482
_cell_angle_alpha 69.13265
_cell_angle_beta 69.13265
_cell_angle_gamma 69.13266
_cell_volume 467.03120
_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 0.82523 0.59037 0.34549 1.00000
Na2 Na 0.59037 0.34549 0.82523 1.00000
Na3 Na 0.34549 0.82523 0.59037 1.00000
Na4 Na 0.17477 0.40963 0.65451 1.00000
Na5 Na 0.40963 0.65451 0.17477 1.00000
Na6 Na 0.65451 0.17477 0.40963 1.00000
Bi1 Bi 0.00000 0.00000 0.00000 1.00000
Sb1 Sb 0.71820 0.71820 0.71820 1.00000
Sb2 Sb 0.28180 0.28180 0.28180 1.00000
Sb3 Sb 0.14955 0.57329 0.97593 1.00000
Sb4 Sb 0.57329 0.97593 0.14955 1.00000
Sb5 Sb 0.97593 0.14955 0.57329 1.00000
Sb6 Sb 0.85045 0.42671 0.02407 1.00000
Sb7 Sb 0.42671 0.02407 0.85045 1.00000
Sb8 Sb 0.02407 0.85045 0.42671 1.00000
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