Th3Al7Au4
Alexandria ALEXAlex-ID: agm005702576 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C7_8_spg12
ThAl2Au Th2Al5Au3
2023-06-29 15:55:58.689105
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005702576).
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 agm005702576
data_agm005702576
_cell_length_a 4.40417
_cell_length_b 8.43995
_cell_length_c 8.58751
_cell_angle_alpha 71.05312
_cell_angle_beta 75.14173
_cell_angle_gamma 74.87579
_cell_volume 286.25390
_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
Th1 Th 0.31607 0.18832 0.17954 1.00000
Th2 Th 0.68393 0.81168 0.82046 1.00000
Th3 Th 0.00000 0.50000 0.50000 1.00000
Al1 Al 0.32722 0.81032 0.53523 1.00000
Al2 Al 0.50157 0.21320 0.78365 1.00000
Al3 Al 0.84926 0.37927 0.92221 1.00000
Al4 Al 0.67278 0.18968 0.46477 1.00000
Al5 Al 0.15074 0.62073 0.07779 1.00000
Al6 Al 0.00000 0.00000 0.00000 1.00000
Al7 Al 0.49843 0.78680 0.21635 1.00000
Au1 Au 0.65656 0.47076 0.21612 1.00000
Au2 Au 0.34344 0.52924 0.78388 1.00000
Au3 Au 0.86754 0.90655 0.35838 1.00000
Au4 Au 0.13246 0.09345 0.64162 1.00000
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