Hg(CO2)2
Alexandria ALEXAlex-ID: agm005221446 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_194_spg14
CO2 Hg
2023-05-06 14:48:31.627520
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005221446).
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 agm005221446
data_agm005221446
_cell_length_a 5.34947
_cell_length_b 5.10933
_cell_length_c 6.76554
_cell_angle_alpha 71.27089
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 175.12535
_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 0.50000 0.50000 0.50000 1.00000
Hg2 Hg 0.00000 0.50000 0.00000 1.00000
C1 C 0.87213 0.95035 0.46795 1.00000
C2 C 0.37213 0.04965 0.03205 1.00000
C3 C 0.62787 0.95035 0.96795 1.00000
C4 C 0.12787 0.04965 0.53205 1.00000
O1 O 0.23727 0.88819 0.16580 1.00000
O2 O 0.73727 0.11181 0.33420 1.00000
O3 O 0.76273 0.11181 0.83420 1.00000
O4 O 0.26273 0.88819 0.66580 1.00000
O5 O 0.67324 0.69297 0.06948 1.00000
O6 O 0.17324 0.30703 0.43052 1.00000
O7 O 0.32676 0.30703 0.93052 1.00000
O8 O 0.82676 0.69297 0.56948 1.00000
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