KFeSbF6
Alexandria ALEXAlex-ID: agm005097482 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD6_14_spg149
KSbF4 FeF2
2022-12-15 07:37:29.120560
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005097482).
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 agm005097482
data_agm005097482
_cell_length_a 5.96867
_cell_length_b 5.88984
_cell_length_c 5.14108
_cell_angle_alpha 89.97554
_cell_angle_beta 89.76656
_cell_angle_gamma 58.82369
_cell_volume 154.62907
_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 0.99604 0.00489 0.04584 1.00000
Fe1 Fe 0.66427 0.66720 0.48946 1.00000
Sb1 Sb 0.32952 0.33580 0.55250 1.00000
F1 F 0.04217 0.39245 0.28864 1.00000
F2 F 0.32692 0.96582 0.67393 1.00000
F3 F 0.70933 0.35537 0.68562 1.00000
F4 F 0.95625 0.69395 0.68897 1.00000
F5 F 0.39327 0.56911 0.28520 1.00000
F6 F 0.58199 0.01546 0.28976 1.00000
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