Na5(AlBi2)2
Alexandria ALEXAlex-ID: agm005675732 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_797_spg12
Na3Bi Al NaBi
2023-06-22 04:47:48.464309
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005675732).
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 agm005675732
data_agm005675732
_cell_length_a 5.13995
_cell_length_b 9.70577
_cell_length_c 7.22818
_cell_angle_alpha 89.28558
_cell_angle_beta 110.82718
_cell_angle_gamma 90.00006
_cell_volume 337.00179
_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 0.83914 0.44658 0.67827 1.00000
Na2 Na 0.16086 0.55342 0.32173 1.00000
Na3 Na 0.82362 0.05793 0.64725 1.00000
Na4 Na 0.50000 0.00000 0.00000 1.00000
Na5 Na 0.17638 0.94207 0.35275 1.00000
Al1 Al 0.49622 0.36645 0.99244 1.00000
Al2 Al 0.50378 0.63355 0.00756 1.00000
Bi1 Bi 0.30385 0.23956 0.60770 1.00000
Bi2 Bi 0.94050 0.75454 0.88100 1.00000
Bi3 Bi 0.69615 0.76044 0.39230 1.00000
Bi4 Bi 0.05950 0.24546 0.11900 1.00000
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