Na(Hg4Pb)2
Alexandria ALEXAlex-ID: agm005865992 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_1894_spg2
NaHg3 Pb Hg
2023-09-27 16:31:01
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005865992).
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 agm005865992
data_agm005865992
_cell_length_a 5.14147
_cell_length_b 8.37046
_cell_length_c 7.87433
_cell_angle_alpha 112.99784
_cell_angle_beta 102.95798
_cell_angle_gamma 97.45595
_cell_volume 294.94508
_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 0.00000 0.00000 1.00000
Hg1 Hg 0.60424 0.45121 0.16905 1.00000
Hg2 Hg 0.32320 0.09129 0.64434 1.00000
Hg3 Hg 0.12940 0.17548 0.27568 1.00000
Hg4 Hg 0.03664 0.74213 0.08110 1.00000
Hg5 Hg 0.87060 0.82452 0.72432 1.00000
Hg6 Hg 0.67680 0.90871 0.35566 1.00000
Hg7 Hg 0.39576 0.54879 0.83095 1.00000
Hg8 Hg 0.96336 0.25787 0.91890 1.00000
Pb1 Pb 0.24426 0.64431 0.45677 1.00000
Pb2 Pb 0.75574 0.35569 0.54323 1.00000
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