PmHg6Pb
Alexandria ALEXAlex-ID: agm005751708 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_178_spg148
PmHg2Pb Hg
2023-07-25 03:24:35.385527
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005751708).
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 agm005751708
data_agm005751708
_cell_length_a 8.36528
_cell_length_b 8.36528
_cell_length_c 6.21350
_cell_angle_alpha 47.68907
_cell_angle_beta 47.68907
_cell_angle_gamma 59.99999
_cell_volume 236.90607
_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
Pm1 Pm 0.00000 0.00000 0.00000 1.00000
Hg1 Hg 0.15518 0.15518 0.16827 1.00000
Hg2 Hg 0.15518 0.52137 0.16827 1.00000
Hg3 Hg 0.47863 0.84482 0.83173 1.00000
Hg4 Hg 0.84482 0.47863 0.83173 1.00000
Hg5 Hg 0.84482 0.84482 0.83173 1.00000
Hg6 Hg 0.52137 0.15518 0.16827 1.00000
Pb1 Pb 0.50000 0.50000 0.50000 1.00000
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