Th3(CuAu)4
Alexandria ALEXAlex-ID: agm005707136 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_1_spg71
Th2CuAu3 ThCu4Au ThCuAu
2023-06-29 19:57:09.972816
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005707136).
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 agm005707136
data_agm005707136
_cell_length_a 4.34228
_cell_length_b 7.07863
_cell_length_c 8.43215
_cell_angle_alpha 114.81821
_cell_angle_beta 104.92079
_cell_angle_gamma 90.00000
_cell_volume 225.58095
_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 0.13793 0.13793 0.27587 1.00000
Th2 Th 0.86207 0.86207 0.72413 1.00000
Th3 Th 0.00000 0.50000 0.00000 1.00000
Cu1 Cu 0.32942 0.13792 0.65883 1.00000
Cu2 Cu 0.67058 0.47909 0.34117 1.00000
Cu3 Cu 0.67058 0.86208 0.34117 1.00000
Cu4 Cu 0.32942 0.52091 0.65883 1.00000
Au1 Au 0.21317 0.71317 0.42633 1.00000
Au2 Au 0.78683 0.28683 0.57367 1.00000
Au3 Au 0.50000 0.80232 0.00000 1.00000
Au4 Au 0.50000 0.19768 1.00000 1.00000
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