Hg(AsI4)2
Alexandria ALEXAlex-ID: agm005913699 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_1258_spg12
HgI2 AsI3
2023-09-24 19:06:47
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005913699).
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 agm005913699
data_agm005913699
_cell_length_a 10.55432
_cell_length_b 8.95470
_cell_length_c 10.60606
_cell_angle_alpha 85.82905
_cell_angle_beta 89.99990
_cell_angle_gamma 126.10850
_cell_volume 806.54213
_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 0.00000 0.00000 0.00000 1.00000
As1 As 0.85400 0.70801 0.69044 1.00000
As2 As 0.14600 0.29199 0.30956 1.00000
I1 I 0.00058 0.38326 0.16121 1.00000
I2 I 0.38268 0.38326 0.16121 1.00000
I3 I 0.99942 0.61674 0.83879 1.00000
I4 I 0.27725 0.55451 0.46193 1.00000
I5 I 0.61732 0.61674 0.83879 1.00000
I6 I 0.90947 0.81895 0.22696 1.00000
I7 I 0.09053 0.18105 0.77304 1.00000
I8 I 0.72275 0.44549 0.53807 1.00000
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