Na(Sn3Bi)2
Alexandria ALEXAlex-ID: agm005673496 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1613_spg2
Bi Sn NaBi
2023-07-08 20:30:40.752687
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005673496).
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 agm005673496
data_agm005673496
_cell_length_a 5.92929
_cell_length_b 5.87237
_cell_length_c 9.12217
_cell_angle_alpha 118.17188
_cell_angle_beta 108.53674
_cell_angle_gamma 89.36963
_cell_volume 261.76956
_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 0.00000 1.00000
Sn1 Sn 0.38879 0.85305 0.77618 1.00000
Sn2 Sn 0.61121 0.14695 0.22382 1.00000
Sn3 Sn 0.71644 0.80079 0.43144 1.00000
Sn4 Sn 0.17898 0.54143 0.35117 1.00000
Sn5 Sn 0.28356 0.19921 0.56856 1.00000
Sn6 Sn 0.82102 0.45857 0.64883 1.00000
Bi1 Bi 0.92854 0.12653 0.85950 1.00000
Bi2 Bi 0.07146 0.87347 0.14050 1.00000
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