Hf3CoF6
Alexandria ALEXAlex-ID: agm005255908 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C6_839_spg12
Hf2Co HfCo HfF4
2023-04-21 08:31:31.018369
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005255908).
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 agm005255908
data_agm005255908
_cell_length_a 5.00790
_cell_length_b 5.01005
_cell_length_c 8.14921
_cell_angle_alpha 69.54778
_cell_angle_beta 110.43494
_cell_angle_gamma 93.66791
_cell_volume 179.12528
_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
Hf1 Hf 0.00000 0.00000 0.50000 1.00000
Hf2 Hf 0.00000 0.50000 0.00000 1.00000
Hf3 Hf 0.50000 0.00000 0.00000 1.00000
Co1 Co 0.00000 0.00000 0.00000 1.00000
F1 F 0.90723 0.68260 0.71199 1.00000
F2 F 0.09277 0.31740 0.28801 1.00000
F3 F 0.31731 0.09283 0.71195 1.00000
F4 F 0.68269 0.90717 0.28805 1.00000
F5 F 0.73469 0.26521 0.49994 1.00000
F6 F 0.26531 0.73479 0.50006 1.00000
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