Na6LiHg12
Alexandria ALEXAlex-ID: agm006113083 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C12_24_spg148
NaLi4Hg5 Na4Hg7 NaHg2
2023-08-25 23:08:41.507506
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006113083).
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 agm006113083
data_agm006113083
_cell_length_a 7.95652
_cell_length_b 7.95652
_cell_length_c 7.95652
_cell_angle_alpha 95.02668
_cell_angle_beta 95.02668
_cell_angle_gamma 95.02669
_cell_volume 497.52071
_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 0.12545 0.30757 0.73592 1.00000
Na2 Na 0.69243 0.26408 0.87455 1.00000
Na3 Na 0.26408 0.87455 0.69243 1.00000
Na4 Na 0.87455 0.69243 0.26408 1.00000
Na5 Na 0.30757 0.73592 0.12545 1.00000
Na6 Na 0.73592 0.12545 0.30757 1.00000
Li1 Li 0.00000 0.00000 0.00000 1.00000
Hg1 Hg 0.43962 0.21077 0.53095 1.00000
Hg2 Hg 0.21077 0.53095 0.43962 1.00000
Hg3 Hg 0.53095 0.43962 0.21077 1.00000
Hg4 Hg 0.56038 0.78923 0.46905 1.00000
Hg5 Hg 0.78923 0.46905 0.56038 1.00000
Hg6 Hg 0.46905 0.56038 0.78923 1.00000
Hg7 Hg 0.87896 0.97198 0.65313 1.00000
Hg8 Hg 0.34687 0.12104 0.02802 1.00000
Hg9 Hg 0.02802 0.34687 0.12104 1.00000
Hg10 Hg 0.12104 0.02802 0.34687 1.00000
Hg11 Hg 0.65313 0.87896 0.97198 1.00000
Hg12 Hg 0.97198 0.65313 0.87896 1.00000
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