Hg5N2F3
Alexandria ALEXAlex-ID: agm005604700 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C5_298_spg2
HgN2 Hg HgF
2023-06-25 05:48:52.487757
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005604700).
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 agm005604700
data_agm005604700
_cell_length_a 10.32895
_cell_length_b 6.43515
_cell_length_c 7.09962
_cell_angle_alpha 93.85640
_cell_angle_beta 90.21661
_cell_angle_gamma 84.36083
_cell_volume 468.55098
_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
Hg1 Hg 0.58698 0.21754 0.87780 1.00000
Hg2 Hg 0.06387 0.90967 0.26047 1.00000
Hg3 Hg 0.41302 0.78246 0.12220 1.00000
Hg4 Hg 0.93613 0.09033 0.73953 1.00000
Hg5 Hg 0.00198 0.63622 0.80381 1.00000
Hg6 Hg 0.99802 0.36378 0.19619 1.00000
Hg7 Hg 0.74723 0.79444 0.20519 1.00000
Hg8 Hg 0.25277 0.20556 0.79481 1.00000
Hg9 Hg 0.44910 0.24898 0.44212 1.00000
Hg10 Hg 0.55090 0.75102 0.55788 1.00000
N1 N 0.94047 0.70626 0.12933 1.00000
N2 N 0.44336 0.11552 0.70219 1.00000
N3 N 0.05953 0.29374 0.87067 1.00000
N4 N 0.55664 0.88448 0.29781 1.00000
F1 F 0.56607 0.62388 0.82092 1.00000
F2 F 0.22359 0.03765 0.39843 1.00000
F3 F 0.43393 0.37612 0.17908 1.00000
F4 F 0.77641 0.96235 0.60157 1.00000
F5 F 0.24646 0.74720 0.96431 1.00000
F6 F 0.75354 0.25280 0.03569 1.00000
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