KAsF6
Alexandria ALEXAlex-ID: agm078493402 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_1560_spg11
KAsF6
2025-01-09 11:15:07
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm078493402).
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 agm078493402
data_agm078493402
_cell_length_a 5.79352
_cell_length_b 7.58334
_cell_length_c 7.16980
_cell_angle_alpha 90.00000
_cell_angle_beta 111.34806
_cell_angle_gamma 90.00000
_cell_volume 293.38613
_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 0.69801 0.75000 0.38471 1.00000
K2 K 0.30199 0.25000 0.61529 1.00000
As1 As 0.35046 0.75000 0.72294 1.00000
As2 As 0.64954 0.25000 0.27706 1.00000
F1 F 0.86767 0.41562 0.28112 1.00000
F2 F 0.43639 0.08465 0.28486 1.00000
F3 F 0.43639 0.41535 0.28486 1.00000
F4 F 0.86767 0.08438 0.28112 1.00000
F5 F 0.56361 0.91535 0.71514 1.00000
F6 F 0.13233 0.58438 0.71888 1.00000
F7 F 0.13233 0.91562 0.71888 1.00000
F8 F 0.56361 0.58465 0.71514 1.00000
F9 F 0.77351 0.25000 0.54572 1.00000
F10 F 0.52750 0.25000 0.01335 1.00000
F11 F 0.47250 0.75000 0.98665 1.00000
F12 F 0.22649 0.75000 0.45428 1.00000
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