Cs6Rb9Hg
Alexandria ALEXAlex-ID: agm005580997 · Space group: I4/m (#87)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C9_15_spg87
Cs2Hg Cs Rb
2023-06-09 08:59:58.403860
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005580997).
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 agm005580997
data_agm005580997
_cell_length_a 11.60330
_cell_length_b 11.60330
_cell_length_c 13.72856
_cell_angle_alpha 114.99864
_cell_angle_beta 114.99866
_cell_angle_gamma 90.00003
_cell_volume 1481.95039
_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 0.69202 0.88811 1.00000 1.00000
Cs2 Cs 0.30798 0.11189 0.00000 1.00000
Cs3 Cs 0.88811 0.30798 1.00000 1.00000
Cs4 Cs 0.11189 0.69202 0.00000 1.00000
Cs5 Cs 0.82687 0.82687 0.65373 1.00000
Cs6 Cs 0.17313 0.17313 0.34627 1.00000
Rb1 Rb 0.97053 0.76833 0.33734 1.00000
Rb2 Rb 0.36682 0.56901 0.33734 1.00000
Rb3 Rb 0.76833 0.36682 0.33734 1.00000
Rb4 Rb 0.56901 0.97053 0.33734 1.00000
Rb5 Rb 0.02947 0.23167 0.66266 1.00000
Rb6 Rb 0.63318 0.43099 0.66266 1.00000
Rb7 Rb 0.23167 0.63318 0.66266 1.00000
Rb8 Rb 0.43099 0.02947 0.66266 1.00000
Rb9 Rb 0.50000 0.50000 0.00000 1.00000
Hg1 Hg 0.00000 0.00000 0.00000 1.00000
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