Sn8BiSb6
Alexandria ALEXAlex-ID: agm072907237 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_3_spg148
Bi Sn4Sb3
2024-10-07 08:06:16.466814
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072907237).
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
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# CIF generated by HEAS from Alexandria entry agm072907237
data_agm072907237
_cell_length_a 7.97246
_cell_length_b 7.97246
_cell_length_c 7.97246
_cell_angle_alpha 93.40456
_cell_angle_beta 93.40456
_cell_angle_gamma 93.40456
_cell_volume 503.93550
_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
Sn1 Sn 0.73559 0.73559 0.73559 1.00000
Sn2 Sn 0.26441 0.26441 0.26441 1.00000
Sn3 Sn 0.14340 0.66715 0.82772 1.00000
Sn4 Sn 0.66715 0.82772 0.14340 1.00000
Sn5 Sn 0.82772 0.14340 0.66715 1.00000
Sn6 Sn 0.85660 0.33285 0.17228 1.00000
Sn7 Sn 0.33285 0.17228 0.85660 1.00000
Sn8 Sn 0.17228 0.85660 0.33285 1.00000
Bi1 Bi 0.00000 0.00000 0.00000 1.00000
Sb1 Sb 0.86375 0.65095 0.39097 1.00000
Sb2 Sb 0.65095 0.39097 0.86375 1.00000
Sb3 Sb 0.39097 0.86375 0.65095 1.00000
Sb4 Sb 0.13625 0.34905 0.60903 1.00000
Sb5 Sb 0.34905 0.60903 0.13625 1.00000
Sb6 Sb 0.60903 0.13625 0.34905 1.00000
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