Rb8Hg6I
Alexandria ALEXAlex-ID: agm072876110 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_120_spg148
Rb2Hg RbHg RbI
2024-10-07 04:34:49.031939
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072876110).
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 agm072876110
data_agm072876110
_cell_length_a 9.21456
_cell_length_b 9.21456
_cell_length_c 9.21456
_cell_angle_alpha 88.62889
_cell_angle_beta 88.62889
_cell_angle_gamma 88.62889
_cell_volume 781.72835
_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 0.22671 0.22671 0.22671 1.00000
Rb2 Rb 0.77329 0.77329 0.77329 1.00000
Rb3 Rb 0.74425 0.08501 0.36517 1.00000
Rb4 Rb 0.36517 0.74425 0.08501 1.00000
Rb5 Rb 0.08501 0.36517 0.74425 1.00000
Rb6 Rb 0.25575 0.91499 0.63483 1.00000
Rb7 Rb 0.63483 0.25575 0.91499 1.00000
Rb8 Rb 0.91499 0.63483 0.25575 1.00000
Hg1 Hg 0.26731 0.56240 0.43511 1.00000
Hg2 Hg 0.43511 0.26731 0.56240 1.00000
Hg3 Hg 0.56240 0.43511 0.26731 1.00000
Hg4 Hg 0.73269 0.43760 0.56489 1.00000
Hg5 Hg 0.56489 0.73269 0.43760 1.00000
Hg6 Hg 0.43760 0.56489 0.73269 1.00000
I1 I 0.00000 0.00000 0.00000 1.00000
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