Rb5CdHg6
Alexandria ALEXAlex-ID: agm006136902 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_59_spg12
Rb3Hg5 Rb3Cd16 RbHg
2023-09-04 03:41:20.462471
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006136902).
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 agm006136902
data_agm006136902
_cell_length_a 6.86353
_cell_length_b 9.09100
_cell_length_c 10.23903
_cell_angle_alpha 109.32108
_cell_angle_beta 100.68386
_cell_angle_gamma 109.71720
_cell_volume 534.88587
_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
Hg1 Hg 0.11342 0.51141 0.38163 1.00000
Hg2 Hg 0.26821 0.87022 0.38163 1.00000
Hg3 Hg 0.39912 0.30975 1.00000 1.00000
Hg4 Hg 0.60088 0.69025 0.00000 1.00000
Hg5 Hg 0.73179 0.12978 0.61837 1.00000
Hg6 Hg 0.88658 0.48859 0.61837 1.00000
Rb1 Rb 0.38475 0.88475 0.76950 1.00000
Rb2 Rb 0.69277 0.69277 0.38553 1.00000
Rb3 Rb 0.00000 0.50000 0.00000 1.00000
Rb4 Rb 0.30723 0.30723 0.61447 1.00000
Rb5 Rb 0.61525 0.11525 0.23050 1.00000
Cd1 Cd 0.00000 0.00000 0.00000 1.00000
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