Tl3Ge2Au9
Alexandria ALEXAlex-ID: agm005608718 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C9_15_spg71
TlGe2Au3 Au TlAu
2023-06-14 03:04:36.340818
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005608718).
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 agm005608718
data_agm005608718
_cell_length_a 4.02211
_cell_length_b 8.89070
_cell_length_c 8.89070
_cell_angle_alpha 77.59804
_cell_angle_beta 76.92680
_cell_angle_gamma 76.92679
_cell_volume 297.14109
_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 0.00000 0.00000 1.00000
Tl2 Tl 0.72037 0.27962 0.27962 1.00000
Tl3 Tl 0.27963 0.72038 0.72038 1.00000
Ge1 Ge 0.50000 0.32184 0.67816 1.00000
Ge2 Ge 0.50000 0.67816 0.32184 1.00000
Au1 Au 0.00000 0.50000 0.50000 1.00000
Au2 Au 0.63063 0.99984 0.73890 1.00000
Au3 Au 0.36937 0.00016 0.26110 1.00000
Au4 Au 0.63063 0.73890 0.99984 1.00000
Au5 Au 0.36937 0.26110 0.00016 1.00000
Au6 Au 0.84447 0.84588 0.46518 1.00000
Au7 Au 0.15553 0.15412 0.53482 1.00000
Au8 Au 0.84447 0.46518 0.84588 1.00000
Au9 Au 0.15553 0.53482 0.15412 1.00000
Get direct link