Hg5(BiPb6)2
Alexandria ALEXAlex-ID: agm003371964 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C12_28_spg12
Hg Bi Pb
2022-02-06 23:18:23.957776
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003371964).
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 agm003371964
data_agm003371964
_cell_length_a 9.78755
_cell_length_b 9.52189
_cell_length_c 7.37952
_cell_angle_alpha 92.39555
_cell_angle_beta 90.00000
_cell_angle_gamma 120.92727
_cell_volume 589.25840
_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 0.24284 0.48569 0.50041 1.00000
Hg2 Hg 0.33769 0.67537 0.09191 1.00000
Hg3 Hg 0.00000 0.00000 0.50000 1.00000
Hg4 Hg 0.66231 0.32463 0.90809 1.00000
Hg5 Hg 0.75716 0.51431 0.49959 1.00000
Bi1 Bi 0.77595 1.00000 1.00000 1.00000
Bi2 Bi 0.22405 0.00000 0.00000 1.00000
Pb1 Pb 0.85432 0.70864 0.10912 1.00000
Pb2 Pb 0.05036 0.60729 0.79799 1.00000
Pb3 Pb 0.55693 0.60729 0.79799 1.00000
Pb4 Pb 0.16600 0.79490 0.39591 1.00000
Pb5 Pb 0.62889 0.79490 0.39591 1.00000
Pb6 Pb 0.45783 0.91567 0.73445 1.00000
Pb7 Pb 0.54217 0.08433 0.26555 1.00000
Pb8 Pb 0.83400 0.20510 0.60409 1.00000
Pb9 Pb 0.37111 0.20510 0.60409 1.00000
Pb10 Pb 0.94964 0.39271 0.20201 1.00000
Pb11 Pb 0.44307 0.39271 0.20201 1.00000
Pb12 Pb 0.14568 0.29136 0.89088 1.00000
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