K4SbF10
Alexandria ALEXAlex-ID: agm005995976 · Space group: I4/m (#87)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C10_7_spg87
KF3 KSbF6 KF
2023-08-09 14:16:12.611346
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005995976).
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 agm005995976
data_agm005995976
_cell_length_a 5.82461
_cell_length_b 7.34048
_cell_length_c 7.34048
_cell_angle_alpha 80.94360
_cell_angle_beta 66.62513
_cell_angle_gamma 66.62513
_cell_volume 264.44383
_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 0.39532 0.80889 0.40047 1.00000
K2 K 0.79579 0.59953 0.80889 1.00000
K3 K 0.20421 0.40047 0.19111 1.00000
K4 K 0.60468 0.19111 0.59953 1.00000
Sb1 Sb 0.00000 0.00000 0.00000 1.00000
F1 F 0.25000 0.50000 0.50000 1.00000
F2 F 0.71451 0.23900 0.92471 1.00000
F3 F 0.04649 0.07529 0.23900 1.00000
F4 F 0.36078 0.92471 0.76100 1.00000
F5 F 0.87821 0.76100 0.07529 1.00000
F6 F 0.28549 0.76100 0.07529 1.00000
F7 F 0.75000 0.50000 0.50000 1.00000
F8 F 0.12179 0.23900 0.92471 1.00000
F9 F 0.63922 0.07529 0.23900 1.00000
F10 F 0.95351 0.92471 0.76100 1.00000
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