K2Rb2Hg3
Alexandria ALEXAlex-ID: agm009071787 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_1658_spg2
Rb2Hg KHg
2024-05-09 23:28:39.182161
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009071787).
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 agm009071787
data_agm009071787
_cell_length_a 7.11822
_cell_length_b 7.11822
_cell_length_c 9.96461
_cell_angle_alpha 65.91583
_cell_angle_beta 65.91583
_cell_angle_gamma 44.11242
_cell_volume 315.54286
_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 0.12385 0.12385 0.58546 1.00000
K2 K 0.87615 0.87615 0.41454 1.00000
Rb1 Rb 0.34316 0.34316 0.82119 1.00000
Rb2 Rb 0.65684 0.65684 0.17882 1.00000
Hg1 Hg 0.00000 0.00000 0.00000 1.00000
Hg2 Hg 0.36384 0.36384 0.18337 1.00000
Hg3 Hg 0.63616 0.63616 0.81663 1.00000
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