BaSn2F8
Alexandria ALEXAlex-ID: agm082010595 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_429_spg12
BaSn2F8
2025-02-24 01:36:09
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm082010595).
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 agm082010595
data_agm082010595
_cell_length_a 6.64325
_cell_length_b 6.64325
_cell_length_c 5.16000
_cell_angle_alpha 75.43993
_cell_angle_beta 104.56007
_cell_angle_gamma 107.47708
_cell_volume 206.38612
_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
Ba1 Ba 0.05748 0.94252 0.07785 1.00000
Sn1 Sn 0.37000 0.63000 0.73824 1.00000
Sn2 Sn 0.72287 0.27713 0.45317 1.00000
F1 F 0.66685 0.97706 0.69813 1.00000
F2 F 0.43160 0.20376 0.21993 1.00000
F3 F 0.79624 0.56840 0.21993 1.00000
F4 F 0.02294 0.33315 0.69813 1.00000
F5 F 0.84806 0.15194 0.23903 1.00000
F6 F 0.15782 0.84218 0.65686 1.00000
F7 F 0.31594 0.68406 0.31262 1.00000
F8 F 0.60705 0.39295 0.68568 1.00000
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