K3Mg2Hg9
Alexandria ALEXAlex-ID: agm005620751 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C9_15_spg71
K2Hg7 KHg2 MgHg
2023-06-14 07:34:37.155861
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005620751).
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 agm005620751
data_agm005620751
_cell_length_a 4.85938
_cell_length_b 9.61592
_cell_length_c 9.61592
_cell_angle_alpha 74.35572
_cell_angle_beta 75.36424
_cell_angle_gamma 75.36423
_cell_volume 410.34738
_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 0.00000 0.00000 0.00000 1.00000
K2 K 0.70484 0.29516 0.29516 1.00000
K3 K 0.29516 0.70484 0.70484 1.00000
Mg1 Mg 0.50000 0.31114 0.68886 1.00000
Mg2 Mg 0.50000 0.68886 0.31114 1.00000
Hg1 Hg 0.00000 0.50000 0.50000 1.00000
Hg2 Hg 0.65541 0.98069 0.70850 1.00000
Hg3 Hg 0.34459 0.01931 0.29150 1.00000
Hg4 Hg 0.65541 0.70850 0.98069 1.00000
Hg5 Hg 0.34459 0.29150 0.01931 1.00000
Hg6 Hg 0.86780 0.84413 0.42027 1.00000
Hg7 Hg 0.13220 0.15587 0.57973 1.00000
Hg8 Hg 0.86780 0.42027 0.84413 1.00000
Hg9 Hg 0.13220 0.57973 0.15587 1.00000
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