KSbF5
Alexandria ALEXAlex-ID: agm005754283 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC5_1014_spg8
KSbF6 KSbF4
2023-07-17 15:32:21.765709
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005754283).
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
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm005754283
data_agm005754283
_cell_length_a 6.02432
_cell_length_b 5.99953
_cell_length_c 9.28442
_cell_angle_alpha 102.29869
_cell_angle_beta 105.23259
_cell_angle_gamma 105.16364
_cell_volume 297.86155
_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 0.71247 0.48794 0.20126 1.00000
K2 K 0.26952 0.51284 0.78020 1.00000
Sb1 Sb 0.95569 0.98367 0.93767 1.00000
Sb2 Sb 0.48616 0.00894 0.49556 1.00000
F1 F 0.96899 0.17098 0.14137 1.00000
F2 F 0.19086 0.77103 0.34641 1.00000
F3 F 0.31494 0.23087 0.53567 1.00000
F4 F 0.56918 0.14218 0.33956 1.00000
F5 F 0.71805 0.70034 0.97526 1.00000
F6 F 0.27564 0.26060 0.97737 1.00000
F7 F 0.41118 0.88323 0.65879 1.00000
F8 F 0.66190 0.78882 0.46139 1.00000
F9 F 0.78110 0.24591 0.65251 1.00000
F10 F 0.18431 0.81266 0.99698 1.00000
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