HgC2(SN)2
Alexandria ALEXAlex-ID: agm005486464 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D2_92_spg5
HgS9 HgN2 C SN
2023-03-17 23:41:50.087077
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005486464).
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 agm005486464
data_agm005486464
_cell_length_a 5.92368
_cell_length_b 5.92368
_cell_length_c 7.06701
_cell_angle_alpha 81.81122
_cell_angle_beta 81.81122
_cell_angle_gamma 43.28667
_cell_volume 168.01963
_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 0.09508 0.90492 0.00000 1.00000
C1 C 0.25883 0.28328 0.79181 1.00000
C2 C 0.71672 0.74117 0.20819 1.00000
S1 S 0.15336 0.13024 0.70070 1.00000
S2 S 0.86976 0.84664 0.29930 1.00000
N1 N 0.34087 0.39127 0.84925 1.00000
N2 N 0.60873 0.65913 0.15075 1.00000
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