KHgSb
Alexandria ALEXAlex-ID: agm003086366 · Space group: Fdd2 (#43)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_91_spg70
KHgSb
2015-07-09 21:20:16
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003086366).
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 agm003086366
data_agm003086366
_cell_length_a 9.57765
_cell_length_b 8.85240
_cell_length_c 7.49061
_cell_angle_alpha 71.19818
_cell_angle_beta 61.03976
_cell_angle_gamma 47.76206
_cell_volume 411.39681
_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
Sb1 Sb 0.64361 0.51623 0.82174 1.00000
Sb2 Sb 0.42826 0.23158 0.60639 1.00000
Sb3 Sb 0.01842 0.82174 0.51623 1.00000
Sb4 Sb 0.73377 0.60639 0.23158 1.00000
K1 K 0.18540 0.57885 0.99160 1.00000
K2 K 0.25840 0.00585 0.06460 1.00000
K3 K 0.24415 0.99160 0.57885 1.00000
K4 K 0.67115 0.06460 0.00585 1.00000
Hg1 Hg 0.45806 0.49824 0.26202 1.00000
Hg2 Hg 0.98798 0.46832 0.79194 1.00000
Hg3 Hg 0.78168 0.26202 0.49824 1.00000
Hg4 Hg 0.75176 0.79194 0.46832 1.00000
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