Cd4Hg9Pb2
Alexandria ALEXAlex-ID: agm005646009 · Space group: P-3m1 (#164)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C9_105_spg164
Cd Hg Pb
2023-06-16 22:49:27.726812
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005646009).
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 agm005646009
data_agm005646009
_cell_length_a 5.04770
_cell_length_b 5.04745
_cell_length_c 18.11199
_cell_angle_alpha 90.00553
_cell_angle_beta 89.99531
_cell_angle_gamma 120.02025
_cell_volume 399.55206
_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 0.33331 0.66671 0.36918 1.00000
Cd2 Cd 0.66669 0.33329 0.63082 1.00000
Cd3 Cd 0.66669 0.33330 0.87787 1.00000
Cd4 Cd 0.33331 0.66670 0.12213 1.00000
Hg1 Hg 1.00000 0.00000 0.32065 1.00000
Hg2 Hg 0.00000 1.00000 0.67935 1.00000
Hg3 Hg 0.99999 0.00001 0.85504 1.00000
Hg4 Hg 0.00001 0.99999 0.14496 1.00000
Hg5 Hg 0.33332 0.66669 0.56491 1.00000
Hg6 Hg 0.66668 0.33331 0.43509 1.00000
Hg7 Hg 0.66668 0.33332 0.04210 1.00000
Hg8 Hg 0.33332 0.66668 0.95790 1.00000
Hg9 Hg 0.00000 0.00000 0.50000 1.00000
Pb1 Pb 0.33331 0.66670 0.76559 1.00000
Pb2 Pb 0.66669 0.33330 0.23441 1.00000
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