Na8LiHg6
Alexandria ALEXAlex-ID: agm003698103 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_64_spg148
Na3Hg2 NaLi4Hg5 Na8Hg3
2022-04-28 14:13:06.210768
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003698103).
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 agm003698103
data_agm003698103
_cell_length_a 8.83622
_cell_length_b 8.83622
_cell_length_c 8.16559
_cell_angle_alpha 57.24390
_cell_angle_beta 57.24390
_cell_angle_gamma 60.00000
_cell_volume 431.11910
_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
Na1 Na 0.51014 0.23486 0.35500 1.00000
Na2 Na 0.76514 0.09999 0.64500 1.00000
Na3 Na 0.09999 0.48986 0.64500 1.00000
Na4 Na 0.65896 0.65896 0.02311 1.00000
Na5 Na 0.34104 0.34104 0.97689 1.00000
Na6 Na 0.90001 0.51014 0.35500 1.00000
Na7 Na 0.23486 0.90001 0.35500 1.00000
Na8 Na 0.48986 0.76514 0.64500 1.00000
Li1 Li 0.00000 0.00000 0.00000 1.00000
Hg1 Hg 0.35033 0.05089 0.85660 1.00000
Hg2 Hg 0.94911 0.25782 0.14340 1.00000
Hg3 Hg 0.25782 0.64967 0.14340 1.00000
Hg4 Hg 0.74218 0.35033 0.85660 1.00000
Hg5 Hg 0.05089 0.74218 0.85660 1.00000
Hg6 Hg 0.64967 0.94911 0.14340 1.00000
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