K2RbHg
Alexandria ALEXAlex-ID: agm077700968 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_724_spg2
Rb3Hg K3Hg
2025-01-09 15:52:18
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm077700968).
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 agm077700968
data_agm077700968
_cell_length_a 9.27729
_cell_length_b 9.27729
_cell_length_c 11.68162
_cell_angle_alpha 63.30047
_cell_angle_beta 116.69953
_cell_angle_gamma 147.86684
_cell_volume 472.71086
_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 0.06533 0.93467 0.78221 1.00000
K2 K 0.93467 0.06533 0.21779 1.00000
K3 K 0.35235 0.64765 0.44956 1.00000
K4 K 0.64765 0.35235 0.55044 1.00000
Rb1 Rb 0.35656 0.64344 0.84729 1.00000
Rb2 Rb 0.64344 0.35656 0.15271 1.00000
Hg1 Hg 0.27121 0.72879 0.08587 1.00000
Hg2 Hg 0.72879 0.27121 0.91413 1.00000
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