K2WF6
Alexandria ALEXAlex-ID: agm080986176 · Space group: P2/c (#13)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_6217_spg13
K2WF6
2025-03-26 15:47:50.451781
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm080986176).
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 agm080986176
data_agm080986176
_cell_length_a 7.69088
_cell_length_b 7.90591
_cell_length_c 11.87214
_cell_angle_alpha 90.55742
_cell_angle_beta 89.95766
_cell_angle_gamma 90.06100
_cell_volume 721.83226
_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 0.54761 0.99034 0.66404 1.00000
K2 K 0.93883 0.56247 0.63181 1.00000
K3 K 0.54784 0.50782 0.83602 1.00000
K4 K 0.93833 0.93746 0.86819 1.00000
K5 K 0.06117 0.43753 0.36819 1.00000
K6 K 0.45239 0.00966 0.33596 1.00000
K7 K 0.45216 0.49218 0.16398 1.00000
K8 K 0.06167 0.06254 0.13181 1.00000
W1 W 0.00000 0.50000 0.00000 1.00000
W2 W 0.50000 0.00000 0.00000 1.00000
W3 W 0.00000 0.00000 0.50000 1.00000
W4 W 0.50000 0.50000 0.50000 1.00000
F1 F 0.91467 0.58842 0.84615 1.00000
F2 F 0.59016 0.83836 0.87486 1.00000
F3 F 0.91441 0.91116 0.65401 1.00000
F4 F 0.59135 0.65946 0.62608 1.00000
F5 F 0.00750 0.73760 0.05751 1.00000
F6 F 0.45656 0.67834 0.38436 1.00000
F7 F 0.45120 0.82349 0.11617 1.00000
F8 F 0.00611 0.76237 0.44180 1.00000
F9 F 0.74794 0.48458 0.04243 1.00000
F10 F 0.74820 0.01748 0.45757 1.00000
F11 F 0.74131 0.47154 0.44151 1.00000
F12 F 0.74102 0.02498 0.05958 1.00000
F13 F 0.40984 0.16164 0.12514 1.00000
F14 F 0.08533 0.41158 0.15385 1.00000
F15 F 0.08559 0.08884 0.34599 1.00000
F16 F 0.40865 0.34054 0.37392 1.00000
F17 F 0.25898 0.97502 0.94042 1.00000
F18 F 0.25869 0.52846 0.55849 1.00000
F19 F 0.25206 0.51542 0.95757 1.00000
F20 F 0.25180 0.98252 0.54243 1.00000
F21 F 0.54880 0.17651 0.88383 1.00000
F22 F 0.99389 0.23763 0.55820 1.00000
F23 F 0.54344 0.32166 0.61564 1.00000
F24 F 0.99250 0.26240 0.94249 1.00000
