CsK7Hg3
Alexandria ALEXAlex-ID: agm005990475 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C7_240_spg8
K5Hg3 K3Hg Cs2Hg
2023-08-12 00:40:29.688085
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005990475).
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 agm005990475
data_agm005990475
_cell_length_a 8.99796
_cell_length_b 9.25160
_cell_length_c 9.86133
_cell_angle_alpha 82.42707
_cell_angle_beta 62.85627
_cell_angle_gamma 60.90281
_cell_volume 634.01137
_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
Cs1 Cs 0.67418 0.66274 0.98890 1.00000
K1 K 0.31678 0.91564 0.45080 1.00000
K2 K 0.31746 0.57597 0.78910 1.00000
K3 K 0.92083 0.87817 0.28017 1.00000
K4 K 0.27992 0.11228 0.83100 1.00000
K5 K 0.77679 0.11228 0.83100 1.00000
K6 K 0.40293 0.36371 0.32772 1.00000
K7 K 0.90564 0.36371 0.32772 1.00000
Hg1 Hg 0.99949 0.36468 0.63634 1.00000
Hg2 Hg 0.66655 0.71667 0.60302 1.00000
Hg3 Hg 0.01377 0.71667 0.60302 1.00000
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