Na4ZnHg7
Alexandria ALEXAlex-ID: agm006089240 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C7_89_spg12
Na4Hg7 NaZn11 NaHg2
2023-08-14 07:31:29.174895
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006089240).
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 agm006089240
data_agm006089240
_cell_length_a 5.33050
_cell_length_b 8.12051
_cell_length_c 8.61562
_cell_angle_alpha 67.52492
_cell_angle_beta 71.97997
_cell_angle_gamma 70.83973
_cell_volume 318.21734
_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 0.56418 0.60694 0.26470 1.00000
Na2 Na 0.43582 0.39306 0.73530 1.00000
Na3 Na 0.73938 0.76818 0.75305 1.00000
Na4 Na 0.26062 0.23182 0.24695 1.00000
Zn1 Zn 0.00000 0.00000 0.00000 1.00000
Hg1 Hg 0.80818 0.36631 0.01734 1.00000
Hg2 Hg 0.19182 0.63369 0.98266 1.00000
Hg3 Hg 0.08117 0.18973 0.64794 1.00000
Hg4 Hg 0.91883 0.81027 0.35206 1.00000
Hg5 Hg 0.31612 0.82181 0.54595 1.00000
Hg6 Hg 0.50000 0.00000 0.00000 1.00000
Hg7 Hg 0.68388 0.17819 0.45405 1.00000
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