K3HfF7
Alexandria ALEXAlex-ID: agm002149097 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C7_8_spg8
K3HfF7
2018-06-12 16:53:15
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002149097).
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 agm002149097
data_agm002149097
_cell_length_a 5.97250
_cell_length_b 5.97250
_cell_length_c 6.84646
_cell_angle_alpha 113.47907
_cell_angle_beta 113.47905
_cell_angle_gamma 89.40473
_cell_volume 202.23301
_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 0.23667 0.76756 0.50337 1.00000
K2 K 0.49071 0.49071 0.97912 1.00000
K3 K 0.76756 0.23667 0.50337 1.00000
Hf1 Hf 0.95306 0.95306 0.96991 1.00000
F1 F 0.12882 0.12882 0.85038 1.00000
F2 F 0.09049 0.66468 0.78358 1.00000
F3 F 0.30133 0.97745 0.22244 1.00000
F4 F 0.66468 0.09049 0.78358 1.00000
F5 F 0.65490 0.65490 0.74011 1.00000
F6 F 0.97745 0.30133 0.22244 1.00000
F7 F 0.85934 0.85934 0.19170 1.00000
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