Pr5Hg2Pb5
Alexandria ALEXAlex-ID: agm005661509 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C5_18_spg12
Pr3Hg4 Pr3Hg5 Pr3Pb4
2023-06-19 06:13:20.682185
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005661509).
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 agm005661509
data_agm005661509
_cell_length_a 4.82543
_cell_length_b 8.86369
_cell_length_c 9.43452
_cell_angle_alpha 77.18003
_cell_angle_beta 75.18299
_cell_angle_gamma 74.20467
_cell_volume 370.31253
_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 0.50000 0.50000 0.50000 1.00000
Pr2 Pr 0.39672 0.29741 0.90915 1.00000
Pr3 Pr 0.30883 0.05906 0.32327 1.00000
Pr4 Pr 0.69117 0.94094 0.67673 1.00000
Pr5 Pr 0.60328 0.70259 0.09085 1.00000
Hg1 Hg 0.86561 0.55188 0.71690 1.00000
Hg2 Hg 0.13439 0.44812 0.28310 1.00000
Pb1 Pb 0.92773 0.78404 0.36051 1.00000
Pb2 Pb 0.23363 0.69325 0.83948 1.00000
Pb3 Pb 0.76637 0.30675 0.16052 1.00000
Pb4 Pb 0.07227 0.21596 0.63949 1.00000
Pb5 Pb 0.00000 0.00000 0.00000 1.00000
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