Hg3(SbI)2
Alexandria ALEXAlex-ID: agm003305877 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_471_spg2
SbI3 Hg Sb
2022-02-03 23:16:08.166020
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003305877).
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
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# CIF generated by HEAS from Alexandria entry agm003305877
data_agm003305877
_cell_length_a 4.96382
_cell_length_b 6.95171
_cell_length_c 11.16939
_cell_angle_alpha 108.27881
_cell_angle_beta 108.88169
_cell_angle_gamma 115.41331
_cell_volume 279.43074
_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
Hg2 Hg 0.92642 0.65065 0.32971 1.00000
Hg3 Hg 0.07358 0.34935 0.67029 1.00000
Sb1 Sb 0.61662 0.35429 0.03005 1.00000
Sb2 Sb 0.38338 0.64571 0.96995 1.00000
I1 I 0.27461 0.90765 0.63979 1.00000
I2 I 0.72539 0.09235 0.36021 1.00000
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