KMnF8
Alexandria ALEXAlex-ID: agm080936072 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC8_365_spg8
KMn8F33 KMnF5 KF12
2025-02-24 02:14:51
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm080936072).
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 agm080936072
data_agm080936072
_cell_length_a 6.38232
_cell_length_b 6.36268
_cell_length_c 6.40293
_cell_angle_alpha 59.83473
_cell_angle_beta 59.26011
_cell_angle_gamma 59.70243
_cell_volume 182.17239
_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 0.44675 0.34975 0.44819 1.00000
Mn1 Mn 0.95194 0.84541 0.95310 1.00000
F1 F 0.70161 0.72363 0.69510 1.00000
F2 F 0.75239 0.04635 0.75135 1.00000
F3 F 0.74844 0.64820 0.15338 1.00000
F4 F 0.69503 0.50242 0.69287 1.00000
F5 F 0.15385 0.04400 0.74888 1.00000
F6 F 0.15169 0.64173 0.75569 1.00000
F7 F 0.14905 0.64864 0.15205 1.00000
F8 F 0.74926 0.04988 0.14939 1.00000
Get direct link