Pr2Dy(HgPb)2
Alexandria ALEXAlex-ID: agm004554331 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D2_16_spg166
Dy3Hg4 Pr3Hg5 Pr3Pb4 DyHg
2022-06-23 00:16:54.687336
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004554331).
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
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# CIF generated by HEAS from Alexandria entry agm004554331
data_agm004554331
_cell_length_a 5.12226
_cell_length_b 5.12226
_cell_length_c 9.65306
_cell_angle_alpha 74.61415
_cell_angle_beta 74.61415
_cell_angle_gamma 60.00000
_cell_volume 208.79345
_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 0.12958 0.12958 0.61127 1.00000
Pr2 Pr 0.87042 0.87042 0.38873 1.00000
Dy1 Dy 0.00000 0.00000 0.00000 1.00000
Hg1 Hg 0.57081 0.57081 0.28756 1.00000
Hg2 Hg 0.42919 0.42919 0.71244 1.00000
Pb1 Pb 0.72239 0.72239 0.83284 1.00000
Pb2 Pb 0.27761 0.27761 0.16716 1.00000
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