Tl3In4Hg
Alexandria ALEXAlex-ID: agm005997827 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4_345_spg12
Tl6In In Tl4Hg3
2023-09-26 17:28:46.946171
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005997827).
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 agm005997827
data_agm005997827
_cell_length_a 3.40384
_cell_length_b 5.81136
_cell_length_c 12.78924
_cell_angle_alpha 114.26639
_cell_angle_beta 97.64729
_cell_angle_gamma 89.99999
_cell_volume 228.16048
_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 0.00000 0.50000 0.00000 1.00000
Tl2 Tl 0.87648 0.67736 0.75296 1.00000
Tl3 Tl 0.12352 0.32264 0.24704 1.00000
Hg1 Hg 0.50000 0.00000 0.00000 1.00000
In1 In 0.75083 0.75043 0.50167 1.00000
In2 In 0.24917 0.24957 0.49833 1.00000
In3 In 0.36941 0.16322 0.73882 1.00000
In4 In 0.63059 0.83678 0.26118 1.00000
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