Sr2In2SnHg4
Alexandria ALEXAlex-ID: agm004567828 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D4_166_spg139
SrHg3 SrSnHg In
2022-06-20 08:28:27.472932
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004567828).
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 agm004567828
data_agm004567828
_cell_length_a 7.54067
_cell_length_b 7.54067
_cell_length_c 7.54067
_cell_angle_alpha 85.47477
_cell_angle_beta 122.64614
_cell_angle_gamma 122.64614
_cell_volume 290.07645
_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
Sr1 Sr 0.00000 0.71093 0.71093 1.00000
Sr2 Sr 1.00000 0.28907 0.28907 1.00000
In1 In 0.50000 0.75000 0.25000 1.00000
In2 In 0.50000 0.25000 0.75000 1.00000
Sn1 Sn 0.00000 0.00000 0.00000 1.00000
Hg1 Hg 0.00000 0.72243 0.27757 1.00000
Hg2 Hg 0.44487 0.72243 0.72243 1.00000
Hg3 Hg 0.00000 0.27757 0.72243 1.00000
Hg4 Hg 0.55513 0.27757 0.27757 1.00000
Get direct link