Hg6GePb8
Alexandria ALEXAlex-ID: agm073022992 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_38_spg148
Hg Ge Pb
2024-10-06 09:40:06.818750
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm073022992).
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
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# CIF generated by HEAS from Alexandria entry agm073022992
data_agm073022992
_cell_length_a 8.05847
_cell_length_b 8.05847
_cell_length_c 8.05847
_cell_angle_alpha 69.82721
_cell_angle_beta 69.82721
_cell_angle_gamma 69.82721
_cell_volume 445.65830
_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 0.83597 0.55901 0.40161 1.00000
Hg2 Hg 0.55901 0.40161 0.83597 1.00000
Hg3 Hg 0.40161 0.83597 0.55901 1.00000
Hg4 Hg 0.16403 0.44099 0.59839 1.00000
Hg5 Hg 0.44099 0.59839 0.16403 1.00000
Hg6 Hg 0.59839 0.16403 0.44099 1.00000
Ge1 Ge 0.00000 0.00000 0.00000 1.00000
Pb1 Pb 0.74502 0.74502 0.74502 1.00000
Pb2 Pb 0.25498 0.25498 0.25498 1.00000
Pb3 Pb 0.13439 0.64696 0.90124 1.00000
Pb4 Pb 0.64696 0.90124 0.13439 1.00000
Pb5 Pb 0.90124 0.13439 0.64696 1.00000
Pb6 Pb 0.86561 0.35304 0.09876 1.00000
Pb7 Pb 0.35304 0.09876 0.86561 1.00000
Pb8 Pb 0.09876 0.86561 0.35304 1.00000
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