Tl5In2Hg5
Alexandria ALEXAlex-ID: agm003374532 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C5_73_spg12
Hg In Tl4Hg3
2022-02-08 20:32:33.995355
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003374532).
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 agm003374532
data_agm003374532
_cell_length_a 3.78119
_cell_length_b 8.59766
_cell_length_c 13.09292
_cell_angle_alpha 122.88547
_cell_angle_beta 90.00000
_cell_angle_gamma 102.70294
_cell_volume 344.96430
_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
Tl1 Tl 0.50000 0.00000 0.50000 1.00000
Tl2 Tl 0.66276 0.32551 0.99818 1.00000
Tl3 Tl 0.58867 0.17735 0.25601 1.00000
Tl4 Tl 0.41133 0.82265 0.74399 1.00000
Tl5 Tl 0.33724 0.67449 0.00182 1.00000
In1 In 0.08716 0.17432 0.74861 1.00000
In2 In 0.91284 0.82568 0.25139 1.00000
Hg1 Hg 0.17225 0.34451 0.50996 1.00000
Hg2 Hg 0.74387 0.48774 0.74997 1.00000
Hg3 Hg 0.25613 0.51226 0.25003 1.00000
Hg4 Hg 0.82775 0.65549 0.49004 1.00000
Hg5 Hg 0.00000 0.00000 0.00000 1.00000
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