In2HgCl3
Alexandria ALEXAlex-ID: agm005692944 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2289_spg2
InCl2 In7Cl9 Hg
2023-08-17 11:03:19.209808
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005692944).
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 agm005692944
data_agm005692944
_cell_length_a 3.80808
_cell_length_b 11.41906
_cell_length_c 12.96505
_cell_angle_alpha 137.08726
_cell_angle_beta 97.82373
_cell_angle_gamma 90.81991
_cell_volume 374.82479
_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
In1 In 0.41368 0.09077 0.80777 1.00000
In2 In 0.58632 0.90923 0.19223 1.00000
In3 In 0.36170 0.62794 0.73804 1.00000
In4 In 0.63830 0.37206 0.26196 1.00000
Hg1 Hg 0.07606 0.08836 0.16260 1.00000
Hg2 Hg 0.92394 0.91164 0.83740 1.00000
Cl1 Cl 0.55819 0.41192 0.08534 1.00000
Cl2 Cl 0.86476 0.13404 0.70078 1.00000
Cl3 Cl 0.23823 0.61592 0.45298 1.00000
Cl4 Cl 0.76177 0.38408 0.54702 1.00000
Cl5 Cl 0.13524 0.86596 0.29922 1.00000
Cl6 Cl 0.44181 0.58808 0.91466 1.00000
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