Hg6Cl
Alexandria ALEXAlex-ID: agm089463328 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6_372_spg139
HgCl Hg
2025-03-27 00:30:16.762568
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm089463328).
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 agm089463328
data_agm089463328
_cell_length_a 7.52208
_cell_length_b 7.53068
_cell_length_c 7.57941
_cell_angle_alpha 98.95837
_cell_angle_beta 81.76432
_cell_angle_gamma 81.44777
_cell_volume 413.26272
_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 0.36257 0.07299 0.76816 1.00000
Hg2 Hg 0.63743 0.92701 0.23184 1.00000
Hg3 Hg 0.26591 0.85552 0.43158 1.00000
Hg4 Hg 0.73409 0.14448 0.56842 1.00000
Hg5 Hg 0.92713 0.77085 0.64475 1.00000
Hg6 Hg 0.07287 0.22915 0.35525 1.00000
Hg7 Hg 0.86262 0.57286 0.26810 1.00000
Hg8 Hg 0.13738 0.42714 0.73190 1.00000
Hg9 Hg 0.57286 0.72920 0.85518 1.00000
Hg10 Hg 0.42714 0.27080 0.14482 1.00000
Hg11 Hg 0.23409 0.64452 0.06853 1.00000
Hg12 Hg 0.76591 0.35548 0.93147 1.00000
Cl1 Cl 0.00000 0.00000 0.00000 1.00000
Cl2 Cl 0.50000 0.50000 0.50000 1.00000
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