Rb3Na3Hg2
Alexandria ALEXAlex-ID: agm005574686 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C3_8_spg62
RbNaHg Na8Hg3 Rb
2023-06-06 01:14:03.216526
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005574686).
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 agm005574686
data_agm005574686
_cell_length_a 7.26879
_cell_length_b 10.08627
_cell_length_c 19.83691
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 1454.34301
_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 0.10526 0.46906 0.39232 1.00000
Rb2 Rb 0.60526 0.03094 0.60768 1.00000
Rb3 Rb 0.89474 0.53094 0.89232 1.00000
Rb4 Rb 0.39474 0.96906 0.10768 1.00000
Rb5 Rb 0.89474 0.53094 0.60768 1.00000
Rb6 Rb 0.39474 0.96906 0.39232 1.00000
Rb7 Rb 0.10526 0.46906 0.10768 1.00000
Rb8 Rb 0.60526 0.03094 0.89232 1.00000
Rb9 Rb 0.63695 0.33308 0.25000 1.00000
Rb10 Rb 0.13695 0.16692 0.75000 1.00000
Rb11 Rb 0.36305 0.66692 0.75000 1.00000
Rb12 Rb 0.86305 0.83308 0.25000 1.00000
Na1 Na 0.11614 0.16940 0.25000 1.00000
Na2 Na 0.61614 0.33060 0.75000 1.00000
Na3 Na 0.88386 0.83060 0.75000 1.00000
Na4 Na 0.38386 0.66940 0.25000 1.00000
Na5 Na 0.59615 0.33245 0.46546 1.00000
Na6 Na 0.09615 0.16755 0.53454 1.00000
Na7 Na 0.40385 0.66755 0.96546 1.00000
Na8 Na 0.90385 0.83245 0.03454 1.00000
Na9 Na 0.40385 0.66755 0.53454 1.00000
Na10 Na 0.90385 0.83245 0.46546 1.00000
Na11 Na 0.59615 0.33245 0.03454 1.00000
Na12 Na 0.09615 0.16755 0.96546 1.00000
Hg1 Hg 0.88327 0.12298 0.38961 1.00000
Hg2 Hg 0.38327 0.37702 0.61039 1.00000
Hg3 Hg 0.11673 0.87702 0.88961 1.00000
Hg4 Hg 0.61673 0.62298 0.11039 1.00000
Hg5 Hg 0.11673 0.87702 0.61039 1.00000
Hg6 Hg 0.61673 0.62298 0.38961 1.00000
Hg7 Hg 0.88327 0.12298 0.11039 1.00000
Hg8 Hg 0.38327 0.37702 0.88961 1.00000
