Th3Au2C
Alexandria ALEXAlex-ID: agm003418809 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_985_spg65
Th6AuC4 ThAu2 Th4Au2C
2022-02-12 17:47:30.924517
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003418809).
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 agm003418809
data_agm003418809
_cell_length_a 5.09587
_cell_length_b 7.44648
_cell_length_c 8.76266
_cell_angle_alpha 115.16002
_cell_angle_beta 106.81453
_cell_angle_gamma 90.00051
_cell_volume 285.17824
_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 0.50000 0.25000 0.00000 1.00000
Th2 Th 0.50000 0.75000 1.00000 1.00000
Th3 Th 0.12194 0.12228 0.24460 1.00000
Th4 Th 0.87800 0.37773 0.75540 1.00000
Th5 Th 0.12200 0.62227 0.24460 1.00000
Th6 Th 0.87806 0.87772 0.75540 1.00000
Au1 Au 0.69942 0.44929 0.39874 1.00000
Au2 Au 0.69939 0.94929 0.39874 1.00000
Au3 Au 0.30061 0.05071 0.60126 1.00000
Au4 Au 0.30058 0.55071 0.60126 1.00000
C1 C 0.99999 0.75000 0.00000 1.00000
C2 C 0.00001 0.25000 1.00000 1.00000
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