K7(HgO)2
Alexandria ALEXAlex-ID: agm005570232 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C7_243_spg65
K4O K2O KHg
2023-06-04 21:54:37.750563
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005570232).
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 agm005570232
data_agm005570232
_cell_length_a 7.83034
_cell_length_b 7.29603
_cell_length_c 7.29603
_cell_angle_alpha 66.01647
_cell_angle_beta 89.86994
_cell_angle_gamma 89.86994
_cell_volume 380.83636
_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 0.70928 0.99982 0.49993 1.00000
K2 K 0.29072 0.50007 0.00018 1.00000
K3 K 0.29072 0.00018 0.50007 1.00000
K4 K 0.70928 0.49993 0.99982 1.00000
K5 K 0.50000 0.00000 0.00000 1.00000
K6 K 0.30054 0.50022 0.50022 1.00000
K7 K 0.69946 0.49978 0.49978 1.00000
Hg1 Hg 0.00000 0.82286 0.17714 1.00000
Hg2 Hg 1.00000 0.17714 0.82286 1.00000
O1 O 0.50006 0.67898 0.67898 1.00000
O2 O 0.49994 0.32102 0.32102 1.00000
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