K3(Na3Hg)2
Alexandria ALEXAlex-ID: agm005609750 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C6_168_spg139
Na8Hg3 KNa2 K
2023-06-12 16:55:51.231027
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005609750).
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 agm005609750
data_agm005609750
_cell_length_a 4.90811
_cell_length_b 4.90811
_cell_length_c 19.67277
_cell_angle_alpha 97.16598
_cell_angle_beta 97.16597
_cell_angle_gamma 90.00000
_cell_volume 466.47582
_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 0.82956 0.82956 0.65912 1.00000
K3 K 0.17044 0.17044 0.34088 1.00000
Na1 Na 0.58672 0.08672 0.17344 1.00000
Na2 Na 0.08672 0.58672 0.17344 1.00000
Na3 Na 0.41328 0.91328 0.82656 1.00000
Na4 Na 0.91328 0.41328 0.82656 1.00000
Na5 Na 0.72593 0.72593 0.45187 1.00000
Na6 Na 0.27407 0.27407 0.54813 1.00000
Hg1 Hg 0.35869 0.35869 0.71737 1.00000
Hg2 Hg 0.64131 0.64131 0.28263 1.00000
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