Rb2In3Hg
Alexandria ALEXAlex-ID: agm032114531 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_793_spg2
RbIn4 Rb8In11 RbHg2
2025-04-14 06:37:23
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm032114531).
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 agm032114531
data_agm032114531
_cell_length_a 5.01609
_cell_length_b 7.34232
_cell_length_c 15.82997
_cell_angle_alpha 102.09948
_cell_angle_beta 90.03593
_cell_angle_gamma 109.93438
_cell_volume 534.25494
_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 0.00144 0.00275 0.49860 1.00000
Rb2 Rb 0.37498 0.74959 0.22673 1.00000
Rb3 Rb 0.62093 0.24321 0.77087 1.00000
Rb4 Rb 0.00064 0.00136 0.00003 1.00000
In1 In 0.29085 0.58142 0.44132 1.00000
In2 In 0.63287 0.26551 0.16606 1.00000
In3 In 0.89021 0.78099 0.74211 1.00000
In4 In 0.10755 0.21445 0.25919 1.00000
In5 In 0.36474 0.72965 0.83552 1.00000
In6 In 0.71277 0.42520 0.55903 1.00000
Hg1 Hg 0.32135 0.64308 0.63399 1.00000
Hg2 Hg 0.68169 0.36278 0.36656 1.00000
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