Rb12Hg2Au5
Alexandria ALEXAlex-ID: agm005674078 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C12_36_spg12
Rb2HgAu Rb3Hg Rb5Au3
2023-06-26 06:16:28.858212
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005674078).
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 agm005674078
data_agm005674078
_cell_length_a 9.55299
_cell_length_b 9.55299
_cell_length_c 10.41357
_cell_angle_alpha 79.20319
_cell_angle_beta 79.20318
_cell_angle_gamma 75.63910
_cell_volume 894.38185
_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 0.91978 0.91978 0.18872 1.00000
Rb2 Rb 0.96951 0.64928 0.79973 1.00000
Rb3 Rb 0.64928 0.96951 0.79973 1.00000
Rb4 Rb 0.18593 0.58491 0.40063 1.00000
Rb5 Rb 0.58491 0.18593 0.40063 1.00000
Rb6 Rb 0.38082 0.38082 0.81469 1.00000
Rb7 Rb 0.61918 0.61918 0.18531 1.00000
Rb8 Rb 0.81407 0.41509 0.59937 1.00000
Rb9 Rb 0.41509 0.81407 0.59937 1.00000
Rb10 Rb 0.03049 0.35072 0.20027 1.00000
Rb11 Rb 0.35072 0.03049 0.20027 1.00000
Rb12 Rb 0.08022 0.08022 0.81128 1.00000
Hg1 Hg 0.71220 0.28780 0.00000 1.00000
Hg2 Hg 0.28780 0.71220 1.00000 1.00000
Au1 Au 0.19251 0.19251 0.49268 1.00000
Au2 Au 0.40273 0.40273 0.12960 1.00000
Au3 Au 0.00000 0.00000 0.50000 1.00000
Au4 Au 0.59727 0.59727 0.87040 1.00000
Au5 Au 0.80749 0.80749 0.50732 1.00000
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