Na4Hg5Pb2
Alexandria ALEXAlex-ID: agm005642967 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_709_spg10
Na4Hg7 NaHg NaPb3
2023-06-22 04:36:27.553134
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005642967).
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 agm005642967
data_agm005642967
_cell_length_a 3.44823
_cell_length_b 8.48350
_cell_length_c 10.77794
_cell_angle_alpha 108.97400
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 298.15700
_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 0.50000 0.24307 0.72280 1.00000
Na2 Na 0.50000 0.74350 0.85671 1.00000
Na3 Na 0.50000 0.75693 0.27720 1.00000
Na4 Na 0.50000 0.25650 0.14329 1.00000
Hg1 Hg 0.00000 0.50119 0.36103 1.00000
Hg2 Hg 0.00000 0.91961 0.10893 1.00000
Hg3 Hg 0.00000 0.50000 0.00000 1.00000
Hg4 Hg 0.00000 0.08039 0.89107 1.00000
Hg5 Hg 0.00000 0.49881 0.63897 1.00000
Pb1 Pb 0.00000 0.86295 0.58803 1.00000
Pb2 Pb 0.00000 0.13705 0.41197 1.00000
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