K3Hg2Sb
Alexandria ALEXAlex-ID: agm005677991 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2522_spg14
K4HgSb2 K3Sb KHg2
2023-08-19 03:56:37.502179
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005677991).
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 agm005677991
data_agm005677991
_cell_length_a 9.14653
_cell_length_b 10.21110
_cell_length_c 13.08607
_cell_angle_alpha 90.00000
_cell_angle_beta 125.17932
_cell_angle_gamma 90.00000
_cell_volume 998.95995
_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 0.29612 0.89157 0.97485 1.00000
K2 K 0.20388 0.39157 0.52515 1.00000
K3 K 0.70388 0.10843 0.02515 1.00000
K4 K 0.79612 0.60843 0.47485 1.00000
K5 K 0.30342 0.54053 0.11783 1.00000
K6 K 0.19658 0.04053 0.38217 1.00000
K7 K 0.69658 0.45947 0.88217 1.00000
K8 K 0.80342 0.95947 0.61783 1.00000
K9 K 0.99569 0.68869 0.21499 1.00000
K10 K 0.50431 0.18869 0.28501 1.00000
K11 K 0.00431 0.31131 0.78501 1.00000
K12 K 0.49569 0.81131 0.71499 1.00000
Hg1 Hg 0.75087 0.89238 0.28884 1.00000
Hg2 Hg 0.74913 0.39238 0.21116 1.00000
Hg3 Hg 0.24913 0.10762 0.71116 1.00000
Hg4 Hg 0.25087 0.60762 0.78884 1.00000
Hg5 Hg 0.41882 0.63977 0.47058 1.00000
Hg6 Hg 0.08118 0.13977 0.02942 1.00000
Hg7 Hg 0.58118 0.36023 0.52942 1.00000
Hg8 Hg 0.91882 0.86023 0.97058 1.00000
Sb1 Sb 0.44016 0.84167 0.29707 1.00000
Sb2 Sb 0.05984 0.34167 0.20293 1.00000
Sb3 Sb 0.55984 0.15833 0.70293 1.00000
Sb4 Sb 0.94016 0.65833 0.79707 1.00000
