K(AgHg)2
Alexandria ALEXAlex-ID: agm003394483 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_1365_spg2
KHg2 Ag
2022-02-10 23:29:34.519508
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003394483).
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 agm003394483
data_agm003394483
_cell_length_a 6.40356
_cell_length_b 6.95931
_cell_length_c 8.15664
_cell_angle_alpha 77.14371
_cell_angle_beta 63.59581
_cell_angle_gamma 62.25785
_cell_volume 288.09559
_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 0.89100 0.72465 0.24774 1.00000
K2 K 0.10899 0.27535 0.75226 1.00000
Ag1 Ag 0.48954 0.71753 0.05613 1.00000
Ag2 Ag 0.69414 0.29792 0.55509 1.00000
Ag3 Ag 0.51045 0.28247 0.94387 1.00000
Ag4 Ag 0.30586 0.70208 0.44491 1.00000
Hg1 Hg 0.60151 0.29491 0.24777 1.00000
Hg2 Hg 0.81721 0.87476 0.74416 1.00000
Hg3 Hg 0.18278 0.12524 0.25584 1.00000
Hg4 Hg 0.39848 0.70509 0.75224 1.00000
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