HgCl2
Alexandria ALEXAlex-ID: agm082280293 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2_9164_spg1
HgCl2
2025-02-26 19:33:50
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm082280293).
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 agm082280293
data_agm082280293
_cell_length_a 8.07552
_cell_length_b 8.55817
_cell_length_c 13.94778
_cell_angle_alpha 103.09916
_cell_angle_beta 101.30895
_cell_angle_gamma 111.23425
_cell_volume 833.03331
_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 0.95602 0.06690 0.07327 1.00000
Hg2 Hg 0.01311 0.98222 0.56400 1.00000
Hg3 Hg 0.98751 0.56280 0.91607 1.00000
Hg4 Hg 0.03513 0.48263 0.55736 1.00000
Hg5 Hg 0.50743 0.99111 0.56083 1.00000
Hg6 Hg 0.43285 0.34779 0.31782 1.00000
Hg7 Hg 0.38466 0.88358 0.83134 1.00000
Hg8 Hg 0.68365 0.68574 0.18064 1.00000
Cl1 Cl 0.59805 0.25405 0.43051 1.00000
Cl2 Cl 0.20886 0.79198 0.44498 1.00000
Cl3 Cl 0.47550 0.74746 0.69878 1.00000
Cl4 Cl 0.75745 0.46341 0.21714 1.00000
Cl5 Cl 0.30768 0.15343 0.68997 1.00000
Cl6 Cl 0.81405 0.15945 0.94980 1.00000
Cl7 Cl 0.73440 0.61337 0.94081 1.00000
Cl8 Cl 0.96001 0.67705 0.66849 1.00000
Cl9 Cl 0.27442 0.45782 0.21200 1.00000
Cl10 Cl 0.81088 0.19020 0.67097 1.00000
Cl11 Cl 0.27913 0.00481 0.95944 1.00000
Cl12 Cl 0.60739 0.90737 0.14497 1.00000
Cl13 Cl 0.71472 0.81053 0.44096 1.00000
Cl14 Cl 0.11163 0.97116 0.19133 1.00000
Cl15 Cl 0.23956 0.51550 0.88676 1.00000
Cl16 Cl 0.10591 0.27965 0.45176 1.00000
