Th8Au6Se
Alexandria ALEXAlex-ID: agm072190332 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_0_spg148
Th2Au Th4AuSe3 ThAu
2024-10-07 07:16:26.411521
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072190332).
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 agm072190332
data_agm072190332
_cell_length_a 7.85471
_cell_length_b 7.85471
_cell_length_c 7.85471
_cell_angle_alpha 71.80332
_cell_angle_beta 71.80332
_cell_angle_gamma 71.80332
_cell_volume 424.78585
_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 0.28498 0.28498 0.28498 1.00000
Th2 Th 0.71502 0.71502 0.71502 1.00000
Th3 Th 0.84132 0.12129 0.35075 1.00000
Th4 Th 0.35075 0.84132 0.12129 1.00000
Th5 Th 0.12129 0.35075 0.84132 1.00000
Th6 Th 0.15868 0.87871 0.64925 1.00000
Th7 Th 0.64925 0.15868 0.87871 1.00000
Th8 Th 0.87871 0.64925 0.15868 1.00000
Au1 Au 0.09276 0.64922 0.44049 1.00000
Au2 Au 0.44049 0.09276 0.64922 1.00000
Au3 Au 0.64922 0.44049 0.09276 1.00000
Au4 Au 0.90724 0.35078 0.55951 1.00000
Au5 Au 0.55951 0.90724 0.35078 1.00000
Au6 Au 0.35078 0.55951 0.90724 1.00000
Se1 Se 0.00000 0.00000 0.00000 1.00000
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