Pr2Nd3Hg4
Alexandria ALEXAlex-ID: agm005641475 · Space group: P-3m1 (#164)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_1192_spg164
PrNd3Hg4 Nd2Hg Pr3NdHg4
2023-06-27 23:25:17.581029
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005641475).
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 agm005641475
data_agm005641475
_cell_length_a 5.39725
_cell_length_b 5.39518
_cell_length_c 10.49740
_cell_angle_alpha 90.02944
_cell_angle_beta 90.00023
_cell_angle_gamma 59.98707
_cell_volume 264.68810
_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
Pr1 Pr 0.33335 0.33330 0.78917 1.00000
Pr2 Pr 0.66665 0.66670 0.21083 1.00000
Nd1 Nd 0.33336 0.33328 0.41580 1.00000
Nd2 Nd 0.00000 0.00000 0.00000 1.00000
Nd3 Nd 0.66664 0.66672 0.58420 1.00000
Hg1 Hg 0.66673 0.66653 0.89665 1.00000
Hg2 Hg 0.00001 0.99998 0.34752 1.00000
Hg3 Hg 0.99999 0.00002 0.65248 1.00000
Hg4 Hg 0.33327 0.33347 0.10335 1.00000
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