K3HgF6
Alexandria ALEXAlex-ID: agm057906282 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C6_17_spg148
K3HgF6
2025-01-09 12:36:35
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm057906282).
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 agm057906282
data_agm057906282
_cell_length_a 7.49582
_cell_length_b 7.49582
_cell_length_c 7.49582
_cell_angle_alpha 91.80280
_cell_angle_beta 91.80280
_cell_angle_gamma 91.80280
_cell_volume 420.53182
_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 0.93504 0.43807 0.74688 1.00000
K2 K 0.74688 0.93504 0.43807 1.00000
K3 K 0.56193 0.25312 0.06496 1.00000
K4 K 0.43807 0.74688 0.93504 1.00000
K5 K 0.25312 0.06496 0.56193 1.00000
K6 K 0.06496 0.56193 0.25312 1.00000
Hg1 Hg 0.00000 0.00000 0.00000 1.00000
Hg2 Hg 0.50000 0.50000 0.50000 1.00000
F1 F 0.93036 0.28192 0.06641 1.00000
F2 F 0.93359 0.06964 0.71808 1.00000
F3 F 0.78474 0.58041 0.45652 1.00000
F4 F 0.71808 0.93359 0.06964 1.00000
F5 F 0.58041 0.45652 0.78474 1.00000
F6 F 0.54348 0.21526 0.41959 1.00000
F7 F 0.45652 0.78474 0.58041 1.00000
F8 F 0.41959 0.54348 0.21526 1.00000
F9 F 0.28192 0.06641 0.93036 1.00000
F10 F 0.21526 0.41959 0.54348 1.00000
F11 F 0.06641 0.93036 0.28192 1.00000
F12 F 0.06964 0.71808 0.93359 1.00000
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