Sr(Tl3Hg)2
Alexandria ALEXAlex-ID: agm005723947 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_678_spg71
SrTlHg2 Tl
2023-07-09 15:28:34.151407
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005723947).
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 agm005723947
data_agm005723947
_cell_length_a 5.55844
_cell_length_b 6.61012
_cell_length_c 8.60616
_cell_angle_alpha 82.89901
_cell_angle_beta 71.15958
_cell_angle_gamma 65.13699
_cell_volume 271.50078
_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 0.50000 0.50000 1.00000
Tl1 Tl 0.66828 0.74062 0.92282 1.00000
Tl2 Tl 0.33172 0.25938 0.07718 1.00000
Tl3 Tl 0.98800 0.85838 0.16562 1.00000
Tl4 Tl 0.34374 0.89933 0.41320 1.00000
Tl5 Tl 0.01200 0.14162 0.83438 1.00000
Tl6 Tl 0.65626 0.10067 0.58680 1.00000
Hg1 Hg 0.33027 0.58682 0.75264 1.00000
Hg2 Hg 0.66973 0.41318 0.24736 1.00000
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