Cs8HAu6
Alexandria ALEXAlex-ID: agm005997306 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_96_spg148
Cs5Au4 CsH CsH2Au
2023-07-10 12:27:20.365763
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005997306).
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 agm005997306
data_agm005997306
_cell_length_a 9.22688
_cell_length_b 9.22688
_cell_length_c 9.22688
_cell_angle_alpha 72.48465
_cell_angle_beta 72.48464
_cell_angle_gamma 72.48465
_cell_volume 695.00367
_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 0.16081 0.67004 0.89872 1.00000
Cs2 Cs 0.10128 0.83919 0.32996 1.00000
Cs3 Cs 0.32996 0.10128 0.83919 1.00000
Cs4 Cs 0.65019 0.65019 0.65019 1.00000
Cs5 Cs 0.34981 0.34981 0.34981 1.00000
Cs6 Cs 0.67004 0.89872 0.16081 1.00000
Cs7 Cs 0.89872 0.16081 0.67004 1.00000
Cs8 Cs 0.83919 0.32996 0.10128 1.00000
H1 H 0.00000 0.00000 0.00000 1.00000
Au1 Au 0.04813 0.47968 0.66490 1.00000
Au2 Au 0.33510 0.95187 0.52032 1.00000
Au3 Au 0.52032 0.33510 0.95187 1.00000
Au4 Au 0.47968 0.66490 0.04813 1.00000
Au5 Au 0.66490 0.04813 0.47968 1.00000
Au6 Au 0.95187 0.52032 0.33510 1.00000
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