Sn6BiF2
Alexandria ALEXAlex-ID: agm097803579 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1686_spg25
Sn Bi SnF2
2025-04-08 13:36:33
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097803579).
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 agm097803579
data_agm097803579
_cell_length_a 4.51546
_cell_length_b 4.64507
_cell_length_c 13.17045
_cell_angle_alpha 90.15447
_cell_angle_beta 99.87119
_cell_angle_gamma 89.96987
_cell_volume 272.15465
_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 0.59168 0.93107 0.98013 1.00000
Sn2 Sn 0.37749 0.45350 0.57363 1.00000
Sn3 Sn 0.23084 0.44811 0.27182 1.00000
Sn4 Sn 0.96306 0.45152 0.73245 1.00000
Sn5 Sn 0.30114 0.94970 0.41718 1.00000
Sn6 Sn 0.48312 0.95265 0.74635 1.00000
Bi1 Bi 0.65857 0.43251 0.12667 1.00000
F1 F 0.09878 0.93485 0.99568 1.00000
F2 F 0.79532 0.94608 0.40608 1.00000
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