K4Rb5Hg3
Alexandria ALEXAlex-ID: agm005693249 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C5_59_spg12
Rb3Hg K3Hg
2023-06-29 12:54:44.052694
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005693249).
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 agm005693249
data_agm005693249
_cell_length_a 7.02892
_cell_length_b 11.23353
_cell_length_c 10.39059
_cell_angle_alpha 110.03465
_cell_angle_beta 90.00000
_cell_angle_gamma 108.23131
_cell_volume 726.79553
_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
K1 K 0.88253 0.76505 0.02400 1.00000
K2 K 0.80877 0.61753 0.55000 1.00000
K3 K 0.19123 0.38247 0.45000 1.00000
K4 K 0.11747 0.23495 0.97600 1.00000
Rb1 Rb 0.43204 0.86407 0.77692 1.00000
Rb2 Rb 0.00000 0.00000 0.50000 1.00000
Rb3 Rb 0.33039 0.66079 0.22024 1.00000
Rb4 Rb 0.66961 0.33921 0.77976 1.00000
Rb5 Rb 0.56796 0.13593 0.22308 1.00000
Hg1 Hg 0.73583 0.47165 0.18013 1.00000
Hg2 Hg 0.50000 0.00000 0.50000 1.00000
Hg3 Hg 0.26417 0.52835 0.81987 1.00000
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