Hg3Pb7
Alexandria ALEXAlex-ID: agm005535751 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B7_0_spg12
Pb Hg
2023-05-28 04:05:43.676874
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005535751).
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 agm005535751
data_agm005535751
_cell_length_a 4.96126
_cell_length_b 6.92603
_cell_length_c 10.36478
_cell_angle_alpha 120.22271
_cell_angle_beta 103.84683
_cell_angle_gamma 89.99962
_cell_volume 295.70336
_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
Hg1 Hg 0.00000 0.00000 0.00000 1.00000
Hg2 Hg 0.19676 0.78362 0.39352 1.00000
Hg3 Hg 0.80324 0.21638 0.60648 1.00000
Pb1 Pb 0.00000 0.50000 0.00000 1.00000
Pb2 Pb 0.20186 0.28841 0.40372 1.00000
Pb3 Pb 0.79814 0.71159 0.59628 1.00000
Pb4 Pb 0.39242 0.10202 0.78484 1.00000
Pb5 Pb 0.60758 0.89798 0.21516 1.00000
Pb6 Pb 0.40250 0.61945 0.80500 1.00000
Pb7 Pb 0.59750 0.38055 0.19500 1.00000
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