Rb7Hg5
Alexandria ALEXAlex-ID: agm005538232 · Space group: I4mm (#107)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A5B7_26_spg8
Rb2Hg RbHg
2023-05-29 13:25:13.173509
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005538232).
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 agm005538232
data_agm005538232
_cell_length_a 8.73625
_cell_length_b 9.50475
_cell_length_c 9.50475
_cell_angle_alpha 77.67067
_cell_angle_beta 62.53823
_cell_angle_gamma 62.53822
_cell_volume 621.39239
_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 0.32529 0.99963 0.41245 1.00000
Rb2 Rb 0.73758 0.58767 0.99952 1.00000
Rb3 Rb 0.32529 0.41245 0.99963 1.00000
Rb4 Rb 0.73758 0.99952 0.58767 1.00000
Rb5 Rb 0.41331 0.50013 0.50013 1.00000
Rb6 Rb 0.89869 0.00046 0.00046 1.00000
Rb7 Rb 0.91334 0.49985 0.49985 1.00000
Hg1 Hg 0.42492 0.76621 0.76621 1.00000
Hg2 Hg 0.19132 0.23387 0.76518 1.00000
Hg3 Hg 0.19132 0.76518 0.23387 1.00000
Hg4 Hg 0.95612 0.23481 0.23481 1.00000
Hg5 Hg 0.37137 0.00062 0.00062 1.00000
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