Tl(Pb3Au)2
Alexandria ALEXAlex-ID: agm005690295 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_712_spg71
Tl2Pb7 TlPb Pb2Au
2023-07-06 11:39:27.239766
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005690295).
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 agm005690295
data_agm005690295
_cell_length_a 8.83412
_cell_length_b 8.83412
_cell_length_c 8.83412
_cell_angle_alpha 102.43989
_cell_angle_beta 114.60650
_cell_angle_gamma 111.60470
_cell_volume 524.41805
_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 0.50000 0.50000 1.00000
Tl2 Tl 0.00000 0.00000 0.00000 1.00000
Pb1 Pb 0.51579 0.80751 0.70828 1.00000
Pb2 Pb 0.48421 0.19249 0.29172 1.00000
Pb3 Pb 0.09922 0.80751 0.29172 1.00000
Pb4 Pb 0.90078 0.19249 0.70828 1.00000
Pb5 Pb 0.78383 0.03197 0.24813 1.00000
Pb6 Pb 0.21617 0.96803 0.75187 1.00000
Pb7 Pb 0.21617 0.46430 0.24813 1.00000
Pb8 Pb 0.78383 0.53570 0.75187 1.00000
Pb9 Pb 0.70480 0.32591 0.03071 1.00000
Pb10 Pb 0.29520 0.67409 0.96929 1.00000
Pb11 Pb 0.29520 0.32591 0.62111 1.00000
Pb12 Pb 0.70480 0.67409 0.37889 1.00000
Au1 Au 0.50000 0.12918 0.62918 1.00000
Au2 Au 0.50000 0.87082 0.37082 1.00000
Au3 Au 0.65189 0.65189 1.00000 1.00000
Au4 Au 0.34811 0.34811 0.00000 1.00000
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