Tl3In4Hg9
Alexandria ALEXAlex-ID: agm005581077 · Space group: R3 (#146)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C9_52_spg146
Hg In Tl4Hg3
2023-06-08 19:28:57.746705
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005581077).
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 agm005581077
data_agm005581077
_cell_length_a 5.84849
_cell_length_b 5.84849
_cell_length_c 16.19129
_cell_angle_alpha 79.59463
_cell_angle_beta 79.59446
_cell_angle_gamma 59.99990
_cell_volume 469.07513
_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 0.02334 0.02334 0.92998 1.00000
Tl2 Tl 0.80123 0.80123 0.59632 1.00000
Tl3 Tl 0.47355 0.47355 0.57936 1.00000
In1 In 0.58100 0.58100 0.25699 1.00000
In2 In 0.13572 0.13572 0.59285 1.00000
In3 In 0.24795 0.24795 0.25616 1.00000
In4 In 0.68807 0.68807 0.93579 1.00000
Hg1 Hg 0.97920 0.29217 0.09578 1.00000
Hg2 Hg 0.63285 0.97920 0.09578 1.00000
Hg3 Hg 0.29217 0.63285 0.09578 1.00000
Hg4 Hg 0.87280 0.17076 0.41162 1.00000
Hg5 Hg 0.54482 0.87280 0.41162 1.00000
Hg6 Hg 0.17076 0.54482 0.41162 1.00000
Hg7 Hg 0.72103 0.41722 0.76965 1.00000
Hg8 Hg 0.41722 0.09210 0.76965 1.00000
Hg9 Hg 0.09210 0.72103 0.76965 1.00000
Get direct link