Tl3Ge3Au8
Alexandria ALEXAlex-ID: agm005685173 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C8_19_spg12
TlGe2Au3 Au TlAu
2023-06-29 10:46:55.828449
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005685173).
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 agm005685173
data_agm005685173
_cell_length_a 4.44742
_cell_length_b 8.79236
_cell_length_c 9.44395
_cell_angle_alpha 61.08019
_cell_angle_beta 76.38102
_cell_angle_gamma 75.34998
_cell_volume 309.92543
_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 0.28767 0.78627 0.63840 1.00000
Tl2 Tl 0.71233 0.21373 0.36160 1.00000
Tl3 Tl 0.00000 0.00000 0.00000 1.00000
Ge1 Ge 0.00000 0.50000 0.50000 1.00000
Ge2 Ge 0.67921 0.63395 0.00764 1.00000
Ge3 Ge 0.32079 0.36605 0.99236 1.00000
Au1 Au 0.11178 0.16081 0.61562 1.00000
Au2 Au 0.88822 0.83919 0.38438 1.00000
Au3 Au 0.85729 0.46372 0.82170 1.00000
Au4 Au 0.14271 0.53628 0.17830 1.00000
Au5 Au 0.51805 0.64946 0.31444 1.00000
Au6 Au 0.48195 0.35054 0.68556 1.00000
Au7 Au 0.37583 0.04356 0.20479 1.00000
Au8 Au 0.62417 0.95644 0.79521 1.00000
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