KPF5
Alexandria ALEXAlex-ID: agm005754316 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC5_1009_spg1
KPF6 P KF
2023-07-14 18:57:54.448612
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005754316).
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 agm005754316
data_agm005754316
_cell_length_a 9.41970
_cell_length_b 7.66463
_cell_length_c 9.36727
_cell_angle_alpha 113.61567
_cell_angle_beta 148.03280
_cell_angle_gamma 89.39056
_cell_volume 240.95428
_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 0.72419 0.98126 0.40228 1.00000
K2 K 0.26012 0.76828 0.45729 1.00000
P1 P 0.16414 0.09393 0.17225 1.00000
P2 P 0.75724 0.37578 0.21666 1.00000
F1 F 0.01269 0.03453 0.18865 1.00000
F2 F 0.74984 0.84089 0.68213 1.00000
F3 F 0.23409 0.66525 0.68178 1.00000
F4 F 0.07624 0.27747 0.13232 1.00000
F5 F 0.89164 0.37623 0.49086 1.00000
F6 F 0.69230 0.56947 0.25787 1.00000
F7 F 0.25262 0.90949 0.21208 1.00000
F8 F 0.29769 0.11340 0.79352 1.00000
F9 F 0.57472 0.34672 0.66020 1.00000
F10 F 0.31249 0.14730 0.15211 1.00000
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