K6MgF8
Alexandria ALEXAlex-ID: agm005996449 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_227_spg148
K2MgF4 KF
2023-08-31 03:31:46.704578
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005996449).
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 agm005996449
data_agm005996449
_cell_length_a 6.77629
_cell_length_b 6.77628
_cell_length_c 6.77628
_cell_angle_alpha 70.22772
_cell_angle_beta 70.22773
_cell_angle_gamma 70.22772
_cell_volume 266.59850
_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 0.06015 0.48764 0.70463 1.00000
K2 K 0.29537 0.93985 0.51236 1.00000
K3 K 0.51236 0.29537 0.93985 1.00000
K4 K 0.48764 0.70463 0.06015 1.00000
K5 K 0.70463 0.06015 0.48764 1.00000
K6 K 0.93985 0.51236 0.29537 1.00000
Mg1 Mg 0.00000 0.00000 0.00000 1.00000
F1 F 0.14437 0.71136 0.91179 1.00000
F2 F 0.08821 0.85563 0.28864 1.00000
F3 F 0.28864 0.08821 0.85563 1.00000
F4 F 0.65529 0.65529 0.65529 1.00000
F5 F 0.34471 0.34471 0.34471 1.00000
F6 F 0.71136 0.91179 0.14437 1.00000
F7 F 0.91179 0.14437 0.71136 1.00000
F8 F 0.85563 0.28864 0.08821 1.00000
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