Cs2Rb5Hg4
Alexandria ALEXAlex-ID: agm005653096 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_316_spg12
Rb2Hg CsRbHg RbHg
2023-06-24 08:23:43.212024
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005653096).
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 agm005653096
data_agm005653096
_cell_length_a 5.23403
_cell_length_b 9.43934
_cell_length_c 15.25641
_cell_angle_alpha 107.82582
_cell_angle_beta 99.87711
_cell_angle_gamma 90.00000
_cell_volume 705.82433
_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 0.42056 0.41874 0.84113 1.00000
Cs2 Cs 0.57944 0.58126 0.15887 1.00000
Rb1 Rb 0.81864 0.04834 0.63729 1.00000
Rb2 Rb 0.18136 0.95166 0.36271 1.00000
Rb3 Rb 0.81872 0.58752 0.63745 1.00000
Rb4 Rb 0.50000 0.00000 0.00000 1.00000
Rb5 Rb 0.18128 0.41248 0.36255 1.00000
Hg1 Hg 0.28791 0.28749 0.57582 1.00000
Hg2 Hg 0.00069 0.32975 0.00139 1.00000
Hg3 Hg 0.71209 0.71251 0.42418 1.00000
Hg4 Hg 0.99931 0.67025 0.99861 1.00000
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