Na2Cd2Hg4Pb
Alexandria ALEXAlex-ID: agm004569331 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D4_295_spg2
NaHg2 Pb Cd
2022-06-19 16:44:21.569229
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004569331).
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 agm004569331
data_agm004569331
_cell_length_a 5.75043
_cell_length_b 8.30402
_cell_length_c 7.62613
_cell_angle_alpha 131.43296
_cell_angle_beta 106.99481
_cell_angle_gamma 94.00814
_cell_volume 242.85475
_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 0.30457 0.78988 0.61679 1.00000
Na2 Na 0.69543 0.21012 0.38321 1.00000
Cd1 Cd 0.81744 0.33749 0.96709 1.00000
Cd2 Cd 0.18256 0.66251 0.03291 1.00000
Hg1 Hg 0.58610 0.61906 0.85104 1.00000
Hg2 Hg 0.76044 0.86303 0.45513 1.00000
Hg3 Hg 0.41390 0.38094 0.14896 1.00000
Hg4 Hg 0.23956 0.13697 0.54487 1.00000
Pb1 Pb 0.00000 0.00000 0.00000 1.00000
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