InHg4Cl
Alexandria ALEXAlex-ID: agm005753609 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_2860_spg2
Hg InCl
2023-07-28 04:45:13.122620
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005753609).
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 agm005753609
data_agm005753609
_cell_length_a 3.88468
_cell_length_b 8.10032
_cell_length_c 17.04900
_cell_angle_alpha 88.30745
_cell_angle_beta 47.14040
_cell_angle_gamma 75.94082
_cell_volume 374.46386
_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 0.84060 0.56296 0.79107 1.00000
In2 In 0.15940 0.43704 0.20893 1.00000
Hg1 Hg 0.57918 0.68194 0.02666 1.00000
Hg2 Hg 0.00000 0.00000 0.50000 1.00000
Hg3 Hg 0.51142 0.33227 0.44143 1.00000
Hg4 Hg 0.42082 0.31806 0.97334 1.00000
Hg5 Hg 0.48858 0.66773 0.55857 1.00000
Hg6 Hg 0.75993 0.05900 0.23855 1.00000
Hg7 Hg 0.24007 0.94099 0.76145 1.00000
Hg8 Hg 0.00000 0.00000 0.00000 1.00000
Cl1 Cl 0.71191 0.32396 0.70746 1.00000
Cl2 Cl 0.28809 0.67604 0.29254 1.00000
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