KAsF5
Alexandria ALEXAlex-ID: agm005754103 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC5_923_spg2
KAsF6 KAsF4
2023-07-14 04:02:46.558719
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005754103).
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 agm005754103
data_agm005754103
_cell_length_a 5.91657
_cell_length_b 5.43890
_cell_length_c 8.71885
_cell_angle_alpha 95.01831
_cell_angle_beta 110.84280
_cell_angle_gamma 106.59346
_cell_volume 245.62536
_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 0.73556 0.50066 0.23060 1.00000
K2 K 0.26444 0.49934 0.76940 1.00000
As1 As 0.00001 1.00000 0.00001 1.00000
As2 As 0.50000 0.00000 0.50000 1.00000
F1 F 0.83595 0.07386 0.14728 1.00000
F2 F 0.22979 0.72854 0.47902 1.00000
F3 F 0.33616 0.21558 0.52343 1.00000
F4 F 0.37110 0.97565 0.27755 1.00000
F5 F 0.77539 0.63232 0.94727 1.00000
F6 F 0.22460 0.36768 0.05272 1.00000
F7 F 0.62890 0.02435 0.72245 1.00000
F8 F 0.66385 0.78442 0.47657 1.00000
F9 F 0.77021 0.27146 0.52098 1.00000
F10 F 0.16404 0.92614 0.85271 1.00000
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