Hg2Sb3I7
Alexandria ALEXAlex-ID: agm101201119 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_808_spg1
SbI3 Hg Sb
2025-05-19 01:21:47
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm101201119).
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 agm101201119
data_agm101201119
_cell_length_a 8.16893
_cell_length_b 6.15925
_cell_length_c 13.83713
_cell_angle_alpha 81.64709
_cell_angle_beta 107.11770
_cell_angle_gamma 109.03497
_cell_volume 628.04915
_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 0.60014 0.34307 0.92745 1.00000
Hg2 Hg 0.11111 0.55668 0.04285 1.00000
Sb1 Sb 0.84900 0.76129 0.95925 1.00000
Sb2 Sb 0.15669 0.11449 0.33742 1.00000
Sb3 Sb 0.90405 0.77590 0.75792 1.00000
I1 I 0.07661 0.01009 0.52386 1.00000
I2 I 0.35166 0.31499 0.12580 1.00000
I3 I 0.80992 0.01312 0.21211 1.00000
I4 I 0.23987 0.70893 0.32283 1.00000
I5 I 0.54233 0.63905 0.65551 1.00000
I6 I 0.98043 0.35013 0.75471 1.00000
I7 I 0.37819 0.91226 0.88029 1.00000
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