Rb7In2Hg3
Alexandria ALEXAlex-ID: agm101889486 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_1208_spg1
Rb2Hg Rb8In11 RbHg
2025-05-17 12:17:21
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm101889486).
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
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# CIF generated by HEAS from Alexandria entry agm101889486
data_agm101889486
_cell_length_a 7.14731
_cell_length_b 7.31867
_cell_length_c 12.50427
_cell_angle_alpha 80.07846
_cell_angle_beta 87.57610
_cell_angle_gamma 77.04175
_cell_volume 627.88896
_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 0.47787 0.88462 0.47471 1.00000
Rb2 Rb 0.72458 0.95444 0.11737 1.00000
Rb3 Rb 0.31750 0.51288 0.16443 1.00000
Rb4 Rb 0.85210 0.33799 0.33902 1.00000
Rb5 Rb 0.65213 0.13708 0.80793 1.00000
Rb6 Rb 0.05961 0.42671 0.64847 1.00000
Rb7 Rb 0.26929 0.74621 0.85210 1.00000
In1 In 0.80740 0.50896 0.97646 1.00000
In2 In 0.14923 0.22080 0.96178 1.00000
Hg1 Hg 0.21011 0.02184 0.18918 1.00000
Hg2 Hg 0.01828 0.79321 0.37992 1.00000
Hg3 Hg 0.96189 0.95524 0.58862 1.00000
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