HgNO4
Alexandria ALEXAlex-ID: agm005251287 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_3990_spg14
Hg3(NO4)2 HgO5 NO2
2023-05-10 01:17:44.874225
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005251287).
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 agm005251287
data_agm005251287
_cell_length_a 6.95205
_cell_length_b 8.05999
_cell_length_c 7.98968
_cell_angle_alpha 66.69841
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 411.17417
_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 0.40786 0.99965 0.75920 1.00000
Hg2 Hg 0.90786 0.00035 0.74080 1.00000
Hg3 Hg 0.59214 0.00035 0.24080 1.00000
Hg4 Hg 0.09214 0.99965 0.25920 1.00000
N1 N 0.15510 0.58949 0.09999 1.00000
N2 N 0.65510 0.41051 0.40001 1.00000
N3 N 0.84490 0.41051 0.90001 1.00000
N4 N 0.34490 0.58949 0.59999 1.00000
O1 O 0.04149 0.71259 0.09717 1.00000
O2 O 0.54149 0.28741 0.40283 1.00000
O3 O 0.95851 0.28741 0.90283 1.00000
O4 O 0.45851 0.71259 0.59717 1.00000
O5 O 0.30190 0.62729 0.00040 1.00000
O6 O 0.80190 0.37271 0.49960 1.00000
O7 O 0.69810 0.37271 0.99960 1.00000
O8 O 0.19810 0.62729 0.50040 1.00000
O9 O 0.12012 0.42852 0.20205 1.00000
O10 O 0.62012 0.57148 0.29795 1.00000
O11 O 0.87988 0.57148 0.79795 1.00000
O12 O 0.37988 0.42852 0.70205 1.00000
O13 O 0.66384 0.98509 0.88371 1.00000
O14 O 0.16384 0.01491 0.61629 1.00000
O15 O 0.33616 0.01491 0.11629 1.00000
O16 O 0.83616 0.98509 0.38371 1.00000
