Tl3AsAu2
Alexandria ALEXAlex-ID: agm005677044 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2117_spg14
Tl3As2Au3 Tl2Au TlAs2Au
2023-08-07 07:53:08.641307
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005677044).
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 agm005677044
data_agm005677044
_cell_length_a 8.17998
_cell_length_b 8.04546
_cell_length_c 10.86417
_cell_angle_alpha 90.00000
_cell_angle_beta 113.14849
_cell_angle_gamma 89.99999
_cell_volume 657.42579
_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 0.32332 0.98107 0.05715 1.00000
Tl2 Tl 0.17668 0.48107 0.44285 1.00000
Tl3 Tl 0.67668 0.01893 0.94285 1.00000
Tl4 Tl 0.82332 0.51893 0.55715 1.00000
Tl5 Tl 0.44646 0.49518 0.14163 1.00000
Tl6 Tl 0.05354 0.99518 0.35837 1.00000
Tl7 Tl 0.55354 0.50482 0.85837 1.00000
Tl8 Tl 0.94646 0.00482 0.64163 1.00000
Tl9 Tl 0.96267 0.66476 0.11438 1.00000
Tl10 Tl 0.53733 0.16476 0.38562 1.00000
Tl11 Tl 0.03733 0.33524 0.88562 1.00000
Tl12 Tl 0.46267 0.83524 0.61438 1.00000
As1 As 0.63958 0.81205 0.39803 1.00000
As2 As 0.86042 0.31205 0.10197 1.00000
As3 As 0.36042 0.18795 0.60197 1.00000
As4 As 0.13958 0.68795 0.89803 1.00000
Au1 Au 0.69051 0.82244 0.18113 1.00000
Au2 Au 0.80949 0.32244 0.31887 1.00000
Au3 Au 0.30949 0.17756 0.81887 1.00000
Au4 Au 0.19051 0.67756 0.68113 1.00000
Au5 Au 0.31430 0.72794 0.30921 1.00000
Au6 Au 0.18570 0.22794 0.19079 1.00000
Au7 Au 0.68570 0.27206 0.69079 1.00000
Au8 Au 0.81430 0.77206 0.80921 1.00000
