Nd2Hg3Pb
Alexandria ALEXAlex-ID: agm005668613 · Space group: Imm2 (#44)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2045_spg44
Nd2Hg3Pb
2023-08-23 00:59:19.399969
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005668613).
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 agm005668613
data_agm005668613
_cell_length_a 3.61627
_cell_length_b 4.47732
_cell_length_c 11.36749
_cell_angle_alpha 101.35782
_cell_angle_beta 99.15247
_cell_angle_gamma 90.00000
_cell_volume 178.05830
_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 0.11548 0.11548 0.23097 1.00000
Nd2 Nd 0.88204 0.38204 0.76407 1.00000
Hg1 Hg 0.69492 0.69492 0.38985 1.00000
Hg2 Hg 0.54655 0.54655 0.09311 1.00000
Hg3 Hg 0.30160 0.80160 0.60319 1.00000
Pb1 Pb 0.45940 0.95940 0.91881 1.00000
