Ac2Tl2Au
Alexandria ALEXAlex-ID: agm003392123 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_33_spg12
Ac2TlAu2 Ac3Tl5 AcAu
2022-02-09 19:06:51.075235
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003392123).
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 agm003392123
data_agm003392123
_cell_length_a 4.87571
_cell_length_b 6.44449
_cell_length_c 11.28823
_cell_angle_alpha 87.68726
_cell_angle_beta 77.52789
_cell_angle_gamma 67.77249
_cell_volume 320.25103
_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
Ac1 Ac 0.68019 0.30689 0.33273 1.00000
Ac2 Ac 0.93672 0.24826 0.87829 1.00000
Ac3 Ac 0.31981 0.69311 0.66727 1.00000
Ac4 Ac 0.06328 0.75174 0.12171 1.00000
Tl1 Tl 0.09696 0.25327 0.55281 1.00000
Tl2 Tl 0.64680 0.81468 0.89172 1.00000
Tl3 Tl 0.90304 0.74673 0.44719 1.00000
Tl4 Tl 0.35320 0.18532 0.10828 1.00000
Au1 Au 0.60394 0.11440 0.67772 1.00000
Au2 Au 0.39606 0.88560 0.32228 1.00000
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