Th(Sb3Au4)2
Alexandria ALEXAlex-ID: agm072483293 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_46_spg148
Sb2Au SbAu Th14Au51
2024-10-07 06:09:40.707584
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072483293).
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 agm072483293
data_agm072483293
_cell_length_a 7.55681
_cell_length_b 7.55681
_cell_length_c 7.55681
_cell_angle_alpha 81.89324
_cell_angle_beta 81.89324
_cell_angle_gamma 81.89324
_cell_volume 419.71050
_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 0.00000 0.00000 0.00000 1.00000
Sb1 Sb 0.15997 0.69535 0.33742 1.00000
Sb2 Sb 0.33742 0.15997 0.69535 1.00000
Sb3 Sb 0.69535 0.33742 0.15997 1.00000
Sb4 Sb 0.84003 0.30465 0.66258 1.00000
Sb5 Sb 0.66258 0.84003 0.30465 1.00000
Sb6 Sb 0.30465 0.66258 0.84003 1.00000
Au1 Au 0.39766 0.39766 0.39766 1.00000
Au2 Au 0.60234 0.60234 0.60234 1.00000
Au3 Au 0.87436 0.08723 0.39231 1.00000
Au4 Au 0.39231 0.87436 0.08723 1.00000
Au5 Au 0.08723 0.39231 0.87436 1.00000
Au6 Au 0.12564 0.91277 0.60769 1.00000
Au7 Au 0.60769 0.12564 0.91277 1.00000
Au8 Au 0.91277 0.60769 0.12564 1.00000
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