Na2Hg4F9
Alexandria ALEXAlex-ID: agm005641263 · Space group: P-3c1 (#165)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C9_0_spg9
NaHgF3 HgF HgF2
2023-06-16 22:33:31.601756
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005641263).
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 agm005641263
data_agm005641263
_cell_length_a 6.06684
_cell_length_b 6.06906
_cell_length_c 15.55720
_cell_angle_alpha 90.02186
_cell_angle_beta 89.98720
_cell_angle_gamma 60.00695
_cell_volume 496.10842
_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 0.99941 0.00045 0.35407 1.00000
Na2 Na 0.99955 0.00039 0.14579 1.00000
Na3 Na 0.00059 0.99955 0.64593 1.00000
Na4 Na 0.00045 0.99961 0.85421 1.00000
Hg1 Hg 0.33351 0.33316 0.97117 1.00000
Hg2 Hg 0.33327 0.33352 0.47131 1.00000
Hg3 Hg 0.66649 0.66684 0.02883 1.00000
Hg4 Hg 0.33259 0.33395 0.19310 1.00000
Hg5 Hg 0.66673 0.66648 0.52869 1.00000
Hg6 Hg 0.66599 0.66716 0.30687 1.00000
Hg7 Hg 0.33401 0.33284 0.69313 1.00000
Hg8 Hg 0.66741 0.66605 0.80690 1.00000
F1 F 0.00113 0.29175 0.75024 1.00000
F2 F 0.29344 0.70686 0.74999 1.00000
F3 F 0.70788 0.99945 0.75009 1.00000
F4 F 0.99887 0.70825 0.24976 1.00000
F5 F 0.70656 0.29314 0.25001 1.00000
F6 F 0.29212 0.00055 0.24991 1.00000
F7 F 0.67211 0.95910 0.41568 1.00000
F8 F 0.95870 0.36911 0.41544 1.00000
F9 F 0.36783 0.67284 0.41556 1.00000
F10 F 0.63098 0.04160 0.08421 1.00000
F11 F 0.32729 0.63155 0.08439 1.00000
F12 F 0.04072 0.32774 0.08431 1.00000
F13 F 0.32789 0.04090 0.58432 1.00000
F14 F 0.04130 0.63089 0.58456 1.00000
F15 F 0.63217 0.32716 0.58444 1.00000
F16 F 0.36902 0.95840 0.91579 1.00000
F17 F 0.67271 0.36845 0.91561 1.00000
F18 F 0.95928 0.67226 0.91569 1.00000
