CdHg11Pb17
Alexandria ALEXAlex-ID: agm005585437 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB11C17_2_spg8
Cd Hg Pb
2023-06-09 07:00:29.402096
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005585437).
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 agm005585437
data_agm005585437
_cell_length_a 10.27545
_cell_length_b 10.27545
_cell_length_c 10.28139
_cell_angle_alpha 109.25477
_cell_angle_beta 109.25477
_cell_angle_gamma 109.96812
_cell_volume 834.97084
_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
Cd1 Cd 0.36584 0.36584 0.18918 1.00000
Hg1 Hg 0.20172 0.20172 0.83187 1.00000
Hg2 Hg 0.62310 0.80782 0.98758 1.00000
Hg3 Hg 0.18786 0.37533 0.37936 1.00000
Hg4 Hg 0.82102 0.00944 0.64058 1.00000
Hg5 Hg 0.61409 0.99591 0.80374 1.00000
Hg6 Hg 0.81818 0.18874 0.18251 1.00000
Hg7 Hg 0.18874 0.81818 0.18251 1.00000
Hg8 Hg 0.99591 0.61409 0.80374 1.00000
Hg9 Hg 0.00944 0.82102 0.64058 1.00000
Hg10 Hg 0.37533 0.18786 0.37936 1.00000
Hg11 Hg 0.80782 0.62310 0.98758 1.00000
Pb1 Pb 0.97827 0.97827 0.32043 1.00000
Pb2 Pb 0.67948 0.67948 0.29668 1.00000
Pb3 Pb 0.66886 0.66886 0.64904 1.00000
Pb4 Pb 0.41487 0.41487 0.71876 1.00000
Pb5 Pb 0.00343 0.00343 0.00339 1.00000
Pb6 Pb 0.31262 0.59522 0.99886 1.00000
Pb7 Pb 0.39296 0.71526 0.40090 1.00000
Pb8 Pb 0.00977 0.30396 0.59120 1.00000
Pb9 Pb 0.00591 0.34687 0.01547 1.00000
Pb10 Pb 0.27162 0.69095 0.68462 1.00000
Pb11 Pb 0.60802 0.99286 0.31052 1.00000
Pb12 Pb 0.99286 0.60802 0.31052 1.00000
Pb13 Pb 0.69095 0.27162 0.68462 1.00000
Pb14 Pb 0.34687 0.00591 0.01547 1.00000
Pb15 Pb 0.30396 0.00977 0.59120 1.00000
Pb16 Pb 0.71526 0.39296 0.40090 1.00000
Pb17 Pb 0.59522 0.31262 0.99886 1.00000
