K2BeSnF6
Alexandria ALEXAlex-ID: agm004956686 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_588_spg1
KSn2F5 KBeF3 K2BeF4
2022-07-21 13:38:42.950160
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004956686).
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 agm004956686
data_agm004956686
_cell_length_a 6.45408
_cell_length_b 5.64068
_cell_length_c 6.79485
_cell_angle_alpha 57.95727
_cell_angle_beta 57.65774
_cell_angle_gamma 71.70231
_cell_volume 176.99773
_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
K1 K 0.53237 0.64175 0.32462 1.00000
K2 K 0.12956 0.00811 0.83385 1.00000
Be1 Be 0.27337 0.34065 0.16007 1.00000
Sn1 Sn 0.82964 0.82093 0.54569 1.00000
F1 F 0.41187 0.22782 0.32606 1.00000
F2 F 0.19594 0.07151 0.19522 1.00000
F3 F 0.03001 0.51421 0.25973 1.00000
F4 F 0.44594 0.53775 0.86647 1.00000
F5 F 0.74778 0.95770 0.81220 1.00000
F6 F 0.06512 0.54117 0.69128 1.00000
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