Cs8SbAu6
Alexandria ALEXAlex-ID: agm072974658 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_3_spg148
Cs2SbAu Cs5SbAu2 CsAu
2024-10-07 06:27:27.855256
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072974658).
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 agm072974658
data_agm072974658
_cell_length_a 9.09208
_cell_length_b 9.09208
_cell_length_c 9.09208
_cell_angle_alpha 88.95454
_cell_angle_beta 88.95454
_cell_angle_gamma 88.95454
_cell_volume 751.23362
_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
Cs1 Cs 0.76330 0.76330 0.76330 1.00000
Cs2 Cs 0.23670 0.23670 0.23670 1.00000
Cs3 Cs 0.26402 0.63420 0.90854 1.00000
Cs4 Cs 0.63420 0.90854 0.26402 1.00000
Cs5 Cs 0.90854 0.26402 0.63420 1.00000
Cs6 Cs 0.73598 0.36580 0.09146 1.00000
Cs7 Cs 0.36580 0.09146 0.73598 1.00000
Cs8 Cs 0.09146 0.73598 0.36580 1.00000
Sb1 Sb 0.00000 0.00000 0.00000 1.00000
Au1 Au 0.72230 0.56358 0.43804 1.00000
Au2 Au 0.56358 0.43804 0.72230 1.00000
Au3 Au 0.43804 0.72230 0.56358 1.00000
Au4 Au 0.27770 0.43642 0.56196 1.00000
Au5 Au 0.43642 0.56196 0.27770 1.00000
Au6 Au 0.56196 0.27770 0.43642 1.00000
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