K2Rb5Hg4
Alexandria ALEXAlex-ID: agm005668307 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_178_spg71
Rb2Hg K5Hg3 KHg
2023-06-24 07:11:59.720314
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005668307).
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 agm005668307
data_agm005668307
_cell_length_a 5.08830
_cell_length_b 9.46890
_cell_length_c 13.80337
_cell_angle_alpha 110.05268
_cell_angle_beta 100.62111
_cell_angle_gamma 90.00000
_cell_volume 612.59416
_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 0.42392 0.42380 0.84784 1.00000
K2 K 0.57608 0.57620 0.15216 1.00000
Rb1 Rb 0.83122 0.06066 0.66244 1.00000
Rb2 Rb 0.16878 0.93934 0.33756 1.00000
Rb3 Rb 0.83110 0.60118 0.66221 1.00000
Rb4 Rb 0.50000 0.00000 0.00000 1.00000
Rb5 Rb 0.16890 0.39882 0.33779 1.00000
Hg1 Hg 0.28736 0.28704 0.57472 1.00000
Hg2 Hg 0.00001 0.33268 0.00002 1.00000
Hg3 Hg 0.71264 0.71296 0.42528 1.00000
Hg4 Hg 0.99999 0.66732 0.99998 1.00000
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