Hg3Bi2Pb7
Alexandria ALEXAlex-ID: agm005606155 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_173_spg12
Hg Bi Pb
2023-06-14 11:04:17.964235
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005606155).
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 agm005606155
data_agm005606155
_cell_length_a 6.05918
_cell_length_b 6.05708
_cell_length_c 10.69004
_cell_angle_alpha 98.62538
_cell_angle_beta 81.40806
_cell_angle_gamma 73.15088
_cell_volume 363.45188
_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 0.50000 0.50000 0.00000 1.00000
Hg2 Hg 0.31862 0.68135 0.32488 1.00000
Hg3 Hg 0.68138 0.31865 0.67512 1.00000
Bi1 Bi 0.15738 0.84266 0.66109 1.00000
Bi2 Bi 0.84262 0.15734 0.33891 1.00000
Pb1 Pb 0.11045 0.41312 0.83213 1.00000
Pb2 Pb 0.73306 0.73287 0.49998 1.00000
Pb3 Pb 0.00000 0.00000 0.00000 1.00000
Pb4 Pb 0.88955 0.58688 0.16787 1.00000
Pb5 Pb 0.41308 0.11051 0.16788 1.00000
Pb6 Pb 0.58692 0.88949 0.83212 1.00000
Pb7 Pb 0.26694 0.26713 0.50002 1.00000
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