NaH6F8
Alexandria ALEXAlex-ID: agm072858992 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_955_spg2
Na2H5F7 NaF7 HF
2024-10-06 11:08:05.411328
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072858992).
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 agm072858992
data_agm072858992
_cell_length_a 5.55814
_cell_length_b 6.27452
_cell_length_c 5.50201
_cell_angle_alpha 88.39486
_cell_angle_beta 78.89944
_cell_angle_gamma 100.41934
_cell_volume 184.79286
_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
Na1 Na 0.00000 0.00000 0.00000 1.00000
H1 H 0.07165 0.74372 0.55806 1.00000
H2 H 0.52173 0.72442 0.04605 1.00000
H3 H 0.27532 0.70066 0.77873 1.00000
H4 H 0.92835 0.25628 0.44194 1.00000
H5 H 0.47827 0.27558 0.95395 1.00000
H6 H 0.72468 0.29934 0.22127 1.00000
F1 F 0.89932 0.87479 0.60628 1.00000
F2 F 0.10068 0.12521 0.39372 1.00000
F3 F 0.29429 0.76172 0.94551 1.00000
F4 F 0.20988 0.65552 0.55573 1.00000
F5 F 0.67485 0.71354 0.10258 1.00000
F6 F 0.70571 0.23828 0.05449 1.00000
F7 F 0.79012 0.34448 0.44427 1.00000
F8 F 0.32515 0.28646 0.89742 1.00000
Get direct link