LiCd7Hg6
Alexandria ALEXAlex-ID: agm005581817 · Space group: Ibam (#72)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C7_54_spg72
LiCd3 Hg Cd
2023-06-08 23:39:19.067921
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005581817).
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 agm005581817
data_agm005581817
_cell_length_a 6.11824
_cell_length_b 11.89829
_cell_length_c 11.89829
_cell_angle_alpha 114.87174
_cell_angle_beta 75.10159
_cell_angle_gamma 75.10159
_cell_volume 690.37158
_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
Li1 Li 0.75000 0.25000 0.25000 1.00000
Li2 Li 0.25000 0.75000 0.75000 1.00000
Cd1 Cd 0.76046 0.00782 0.99218 1.00000
Cd2 Cd 0.23955 0.99218 0.00782 1.00000
Cd3 Cd 0.73954 0.50782 0.49218 1.00000
Cd4 Cd 0.26046 0.49218 0.50782 1.00000
Cd5 Cd 0.51370 0.60817 0.12969 1.00000
Cd6 Cd 0.74844 0.12969 0.60817 1.00000
Cd7 Cd 0.98630 0.37031 0.89183 1.00000
Cd8 Cd 0.75156 0.89183 0.37031 1.00000
Cd9 Cd 0.48630 0.39183 0.87031 1.00000
Cd10 Cd 0.25156 0.87031 0.39183 1.00000
Cd11 Cd 0.01370 0.62969 0.10817 1.00000
Cd12 Cd 0.24844 0.10817 0.62969 1.00000
Cd13 Cd 0.25000 0.25000 0.25000 1.00000
Cd14 Cd 0.75000 0.75000 0.75000 1.00000
Hg1 Hg 0.60279 0.29827 0.05792 1.00000
Hg2 Hg 0.04101 0.05792 0.29827 1.00000
Hg3 Hg 0.89721 0.44208 0.20173 1.00000
Hg4 Hg 0.45899 0.20173 0.44208 1.00000
Hg5 Hg 0.39721 0.70173 0.94208 1.00000
Hg6 Hg 0.95899 0.94208 0.70173 1.00000
Hg7 Hg 0.10279 0.55792 0.79827 1.00000
Hg8 Hg 0.54101 0.79827 0.55792 1.00000
Hg9 Hg 0.13343 0.63146 0.36854 1.00000
Hg10 Hg 0.86657 0.36854 0.63146 1.00000
Hg11 Hg 0.36657 0.13146 0.86854 1.00000
Hg12 Hg 0.63343 0.86854 0.13146 1.00000
