Hg3(SbPb)4
Alexandria ALEXAlex-ID: agm005705366 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_73_spg71
Hg Sb Pb
2023-06-29 23:38:17.137042
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005705366).
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 agm005705366
data_agm005705366
_cell_length_a 4.21786
_cell_length_b 7.96404
_cell_length_c 11.38606
_cell_angle_alpha 110.45768
_cell_angle_beta 100.65071
_cell_angle_gamma 90.06539
_cell_volume 351.27700
_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 0.88846 0.88846 0.77691 1.00000
Hg2 Hg 0.11154 0.11155 0.22309 1.00000
Hg3 Hg 0.00000 0.50000 0.00000 1.00000
Sb1 Sb 0.64633 0.46555 0.29485 1.00000
Sb2 Sb 0.35148 0.17070 0.70515 1.00000
Sb3 Sb 0.35367 0.53445 0.70515 1.00000
Sb4 Sb 0.64852 0.82930 0.29485 1.00000
Pb1 Pb 0.76174 0.26174 0.52348 1.00000
Pb2 Pb 0.23826 0.73826 0.47652 1.00000
Pb3 Pb 0.49883 0.79245 1.00000 1.00000
Pb4 Pb 0.50117 0.20755 0.00000 1.00000
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