KZnCoF6
Alexandria ALEXAlex-ID: agm005071932 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD6_3_spg74
KCoF4 ZnF2
2022-08-07 02:20:32.047649
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005071932).
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 agm005071932
data_agm005071932
_cell_length_a 7.14527
_cell_length_b 7.22533
_cell_length_c 7.19531
_cell_angle_alpha 120.13811
_cell_angle_beta 119.77024
_cell_angle_gamma 90.00000
_cell_volume 263.03084
_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 0.88004 0.63004 0.76009 1.00000
K2 K 0.11996 0.36996 0.23991 1.00000
Zn1 Zn 0.50000 0.00000 0.50000 1.00000
Zn2 Zn 0.00000 0.00000 0.50000 1.00000
Co1 Co 0.50000 0.50000 0.00000 1.00000
Co2 Co 0.50000 0.00000 0.00000 1.00000
F1 F 0.44349 0.69349 0.88697 1.00000
F2 F 0.83769 0.08769 0.67538 1.00000
F3 F 0.81144 0.08947 0.24795 1.00000
F4 F 0.43651 0.65848 0.24795 1.00000
F5 F 0.43651 0.08947 0.24795 1.00000
F6 F 0.81144 0.65848 0.24795 1.00000
F7 F 0.55651 0.30651 0.11303 1.00000
F8 F 0.16231 0.91231 0.32462 1.00000
F9 F 0.18856 0.91053 0.75205 1.00000
F10 F 0.56349 0.34152 0.75205 1.00000
F11 F 0.56349 0.91053 0.75205 1.00000
F12 F 0.18856 0.34152 0.75205 1.00000
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