Rb5(Hg6Pb)2
Alexandria ALEXAlex-ID: agm005685155 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C12_195_spg12
Rb2Hg7 RbHg2 Pb
2023-06-28 21:32:52.004179
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005685155).
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 agm005685155
data_agm005685155
_cell_length_a 10.77971
_cell_length_b 10.77971
_cell_length_c 8.37611
_cell_angle_alpha 80.31899
_cell_angle_beta 80.31899
_cell_angle_gamma 45.53887
_cell_volume 683.03393
_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
Rb1 Rb 0.76796 0.76796 0.40663 1.00000
Rb2 Rb 0.69496 0.69496 0.94906 1.00000
Rb3 Rb 0.00000 0.00000 0.50000 1.00000
Rb4 Rb 0.30504 0.30504 0.05094 1.00000
Rb5 Rb 0.23204 0.23204 0.59337 1.00000
Hg1 Hg 0.10559 0.10559 0.99451 1.00000
Hg2 Hg 0.94066 0.35851 0.27592 1.00000
Hg3 Hg 0.35851 0.94066 0.27592 1.00000
Hg4 Hg 0.78921 0.41854 0.65159 1.00000
Hg5 Hg 0.41854 0.78921 0.65159 1.00000
Hg6 Hg 0.54764 0.54764 0.31799 1.00000
Hg7 Hg 0.45236 0.45236 0.68201 1.00000
Hg8 Hg 0.21079 0.58146 0.34841 1.00000
Hg9 Hg 0.58146 0.21079 0.34841 1.00000
Hg10 Hg 0.05934 0.64149 0.72408 1.00000
Hg11 Hg 0.64149 0.05934 0.72408 1.00000
Hg12 Hg 0.89441 0.89441 0.00549 1.00000
Pb1 Pb 0.30643 0.69357 0.00000 1.00000
Pb2 Pb 0.69357 0.30643 0.00000 1.00000
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