Th3(ZnAu)4
Alexandria ALEXAlex-ID: agm003380883 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_125_spg71
ThZn2Au Th3Zn7Au4 Th2ZnAu3
2022-02-10 10:42:24.605331
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003380883).
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 agm003380883
data_agm003380883
_cell_length_a 3.59193
_cell_length_b 4.59511
_cell_length_c 14.59844
_cell_angle_alpha 81.04641
_cell_angle_beta 82.93402
_cell_angle_gamma 89.94776
_cell_volume 236.16721
_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 0.14223 0.64225 0.71409 1.00000
Th2 Th 0.85780 0.35777 0.28591 1.00000
Th3 Th 0.00002 0.00001 1.00000 1.00000
Zn1 Zn 0.59465 0.09457 0.81030 1.00000
Zn2 Zn 0.25847 0.25935 0.48348 1.00000
Zn3 Zn 0.74156 0.74068 0.51651 1.00000
Zn4 Zn 0.40537 0.90545 0.18971 1.00000
Au1 Au 0.55001 0.54994 0.90038 1.00000
Au2 Au 0.45002 0.45009 0.09962 1.00000
Au3 Au 0.31215 0.81286 0.37647 1.00000
Au4 Au 0.68787 0.18716 0.62354 1.00000
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