Nd2Hg4Pb
Alexandria ALEXAlex-ID: agm003465645 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_163_spg139
Nd2Hg3Pb Nd2HgPb3 NdHg3
2022-02-18 03:23:10.947336
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003465645).
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 agm003465645
data_agm003465645
_cell_length_a 5.67329
_cell_length_b 5.67329
_cell_length_c 8.80307
_cell_angle_alpha 108.79806
_cell_angle_beta 108.79806
_cell_angle_gamma 90.00000
_cell_volume 252.20735
_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
Nd1 Nd 0.60939 0.60939 0.21878 1.00000
Nd2 Nd 0.39061 0.39061 0.78122 1.00000
Hg1 Hg 0.80456 0.80456 0.60911 1.00000
Hg2 Hg 0.19544 0.19544 0.39089 1.00000
Hg3 Hg 0.00000 0.50000 0.00000 1.00000
Hg4 Hg 0.50000 0.00000 0.00000 1.00000
Pb1 Pb 0.00000 0.00000 0.00000 1.00000
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