Al3Sn3Hg8
Alexandria ALEXAlex-ID: agm009019972 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C8_112_spg12
Al Sn Hg
2024-03-03 02:41:31.698019
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009019972).
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 agm009019972
data_agm009019972
_cell_length_a 9.04300
_cell_length_b 9.04300
_cell_length_c 13.58064
_cell_angle_alpha 54.69771
_cell_angle_beta 54.69771
_cell_angle_gamma 22.61999
_cell_volume 345.08481
_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
Al1 Al 0.50000 0.50000 0.50000 1.00000
Al2 Al 0.15702 0.15702 0.35598 1.00000
Al3 Al 0.84298 0.84298 0.64402 1.00000
Sn1 Sn 0.00000 0.00000 0.00000 1.00000
Sn2 Sn 0.00888 0.00888 0.31341 1.00000
Sn3 Sn 0.99112 0.99112 0.68659 1.00000
Hg1 Hg 0.25641 0.25641 0.84738 1.00000
Hg2 Hg 0.74359 0.74359 0.15262 1.00000
Hg3 Hg 0.67859 0.67859 0.50089 1.00000
Hg4 Hg 0.32141 0.32141 0.49911 1.00000
Hg5 Hg 0.38521 0.38521 0.92858 1.00000
Hg6 Hg 0.61479 0.61479 0.07142 1.00000
Hg7 Hg 0.63645 0.63645 0.75914 1.00000
Hg8 Hg 0.36355 0.36355 0.24086 1.00000
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