NaCd5Hg7
Alexandria ALEXAlex-ID: agm003679342 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C7_46_spg8
NaHg3 Hg Cd
2022-04-10 07:29:45.688222
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003679342).
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 agm003679342
data_agm003679342
_cell_length_a 6.12468
_cell_length_b 8.02185
_cell_length_c 8.02185
_cell_angle_alpha 84.56076
_cell_angle_beta 67.04468
_cell_angle_gamma 67.04441
_cell_volume 333.40833
_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
Na1 Na 0.97295 0.01683 0.01684 1.00000
Cd1 Cd 0.49215 0.97584 0.50284 1.00000
Cd2 Cd 0.98740 0.01153 0.48400 1.00000
Cd3 Cd 0.49215 0.50284 0.97584 1.00000
Cd4 Cd 0.98741 0.48400 0.01153 1.00000
Cd5 Cd 0.76916 0.73162 0.73162 1.00000
Hg1 Hg 0.66115 0.37619 0.37618 1.00000
Hg2 Hg 0.30945 0.67558 0.67558 1.00000
Hg3 Hg 0.01004 0.30961 0.67961 1.00000
Hg4 Hg 0.01004 0.67960 0.30962 1.00000
Hg5 Hg 0.31825 0.25236 0.25236 1.00000
Hg6 Hg 0.49493 0.83131 0.15269 1.00000
Hg7 Hg 0.49493 0.15269 0.83131 1.00000
Get direct link