Na5Sn5Bi2
Alexandria ALEXAlex-ID: agm005653764 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C5_121_spg12
Na3Sn8 Na3Bi NaBi
2023-06-19 03:46:49.594571
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005653764).
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 agm005653764
data_agm005653764
_cell_length_a 3.50153
_cell_length_b 9.03562
_cell_length_c 11.11977
_cell_angle_alpha 88.82602
_cell_angle_beta 80.94130
_cell_angle_gamma 78.82758
_cell_volume 340.82272
_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 0.50000 0.50000 1.00000
Na2 Na 0.34152 0.32370 0.99326 1.00000
Na3 Na 0.43439 0.87819 0.25302 1.00000
Na4 Na 0.56561 0.12181 0.74698 1.00000
Na5 Na 0.65848 0.67630 0.00674 1.00000
Sn1 Sn 0.81456 0.85427 0.51662 1.00000
Sn2 Sn 0.23311 0.78058 0.75320 1.00000
Sn3 Sn 0.76689 0.21942 0.24680 1.00000
Sn4 Sn 0.18544 0.14573 0.48338 1.00000
Sn5 Sn 0.00000 0.00000 0.00000 1.00000
Bi1 Bi 0.88776 0.46716 0.75733 1.00000
Bi2 Bi 0.11224 0.53284 0.24267 1.00000
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