Rb3(CdHg)4
Alexandria ALEXAlex-ID: agm009843390 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_414_spg2
Rb3Hg5 Rb3Cd16 RbHg2
2024-04-19 16:32:14.586865
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009843390).
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 agm009843390
data_agm009843390
_cell_length_a 15.84279
_cell_length_b 15.84279
_cell_length_c 15.84279
_cell_angle_alpha 161.47992
_cell_angle_beta 162.03374
_cell_angle_gamma 25.91403
_cell_volume 389.47172
_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 0.64951 0.64951 0.00000 1.00000
Rb2 Rb 0.35049 0.35049 0.00000 1.00000
Rb3 Rb 0.50000 0.00000 0.50000 1.00000
Cd1 Cd 0.10001 0.10001 0.00000 1.00000
Cd2 Cd 0.74971 0.24971 0.50000 1.00000
Cd3 Cd 0.25029 0.75029 0.50000 1.00000
Cd4 Cd 0.89999 0.89999 0.00000 1.00000
Hg1 Hg 0.04962 0.54962 0.50000 1.00000
Hg2 Hg 0.95038 0.45038 0.50000 1.00000
Hg3 Hg 0.80399 0.80399 0.00000 1.00000
Hg4 Hg 0.19601 0.19601 0.00000 1.00000
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