K3Na7Hg4
Alexandria ALEXAlex-ID: agm005703846 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C7_34_spg12
KNaHg Na8Hg3 K
2023-06-29 17:00:32.837159
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005703846).
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 agm005703846
data_agm005703846
_cell_length_a 5.12143
_cell_length_b 10.00154
_cell_length_c 10.71322
_cell_angle_alpha 73.57265
_cell_angle_beta 76.17106
_cell_angle_gamma 75.16524
_cell_volume 500.52746
_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 0.30797 0.17750 0.20655 1.00000
K2 K 0.69203 0.82250 0.79345 1.00000
K3 K 0.00000 0.50000 0.50000 1.00000
Na1 Na 0.31736 0.84871 0.51658 1.00000
Na2 Na 0.48734 0.23415 0.79117 1.00000
Na3 Na 0.83338 0.40607 0.92717 1.00000
Na4 Na 0.68264 0.15129 0.48342 1.00000
Na5 Na 0.16662 0.59393 0.07283 1.00000
Na6 Na 0.00000 0.00000 0.00000 1.00000
Na7 Na 0.51266 0.76585 0.20883 1.00000
Hg1 Hg 0.66437 0.43065 0.24062 1.00000
Hg2 Hg 0.33563 0.56935 0.75938 1.00000
Hg3 Hg 0.89080 0.89797 0.32042 1.00000
Hg4 Hg 0.10920 0.10203 0.67958 1.00000
Get direct link