Rb(InHg3)3
Alexandria ALEXAlex-ID: agm006020197 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C9_320_spg12
Rb5Hg19 Hg In
2023-08-10 08:55:29.958031
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006020197).
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 agm006020197
data_agm006020197
_cell_length_a 6.33405
_cell_length_b 8.00663
_cell_length_c 8.45265
_cell_angle_alpha 83.58675
_cell_angle_beta 67.99556
_cell_angle_gamma 72.65536
_cell_volume 379.37252
_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 0.00000 0.00000 0.00000 1.00000
In1 In 0.50000 0.50000 0.00000 1.00000
In2 In 0.00000 0.00000 0.50000 1.00000
In3 In 0.50000 0.00000 0.50000 1.00000
Hg1 Hg 0.72393 0.77557 0.77423 1.00000
Hg2 Hg 0.27607 0.22443 0.22577 1.00000
Hg3 Hg 0.50184 0.22443 0.77423 1.00000
Hg4 Hg 0.49816 0.77557 0.22577 1.00000
Hg5 Hg 0.64531 0.35715 0.35479 1.00000
Hg6 Hg 0.35469 0.64285 0.64521 1.00000
Hg7 Hg 0.99990 0.64285 0.35479 1.00000
Hg8 Hg 0.00010 0.35715 0.64521 1.00000
Hg9 Hg 0.00000 0.50000 0.00000 1.00000
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