In2Sn4Hg5
Alexandria ALEXAlex-ID: agm005682011 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_584_spg71
In Sn Hg
2023-06-21 16:03:50.202683
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005682011).
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 agm005682011
data_agm005682011
_cell_length_a 3.15163
_cell_length_b 10.65064
_cell_length_c 11.02234
_cell_angle_alpha 118.89062
_cell_angle_beta 98.21948
_cell_angle_gamma 90.00000
_cell_volume 319.59097
_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 0.75194 0.75194 0.50388 1.00000
In2 In 0.24806 0.24806 0.49612 1.00000
Sn1 Sn 1.00000 0.26863 1.00000 1.00000
Sn2 Sn 0.41084 0.41084 0.82169 1.00000
Sn3 Sn 0.00000 0.73137 0.00000 1.00000
Sn4 Sn 0.58916 0.58916 0.17831 1.00000
Hg1 Hg 0.16392 0.39818 0.32785 1.00000
Hg2 Hg 0.16392 0.92967 0.32785 1.00000
Hg3 Hg 0.83608 0.07033 0.67215 1.00000
Hg4 Hg 0.83608 0.60182 0.67215 1.00000
Hg5 Hg 0.50000 0.00000 0.00000 1.00000
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