Tl3InAu2
Alexandria ALEXAlex-ID: agm005692894 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_910_spg12
Tl2Au InAu Tl
2023-08-18 12:56:33.165241
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005692894).
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 agm005692894
data_agm005692894
_cell_length_a 4.10990
_cell_length_b 8.54963
_cell_length_c 10.14790
_cell_angle_alpha 72.95242
_cell_angle_beta 78.31682
_cell_angle_gamma 76.09249
_cell_volume 327.55059
_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 0.04495 0.13220 0.77791 1.00000
Tl2 Tl 0.95505 0.86780 0.22209 1.00000
Tl3 Tl 0.61645 0.80363 0.96348 1.00000
Tl4 Tl 0.38355 0.19637 0.03652 1.00000
Tl5 Tl 0.75938 0.85488 0.62637 1.00000
Tl6 Tl 0.24062 0.14512 0.37363 1.00000
In1 In 0.40117 0.49884 0.69882 1.00000
In2 In 0.59883 0.50116 0.30118 1.00000
Au1 Au 0.81499 0.47190 0.89813 1.00000
Au2 Au 0.18501 0.52810 0.10187 1.00000
Au3 Au 0.60088 0.24550 0.55274 1.00000
Au4 Au 0.39912 0.75450 0.44726 1.00000
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