Pm6Hg5Pb
Alexandria ALEXAlex-ID: agm006116791 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_47_spg65
Pm5HgPb3 Pm3Hg4 PmHg
2023-09-03 08:19:08.936674
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006116791).
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 agm006116791
data_agm006116791
_cell_length_a 5.40426
_cell_length_b 7.68001
_cell_length_c 8.57500
_cell_angle_alpha 90.00004
_cell_angle_beta 108.37770
_cell_angle_gamma 90.00003
_cell_volume 337.75194
_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
Pb1 Pb 0.00000 0.00000 0.00000 1.00000
Hg1 Hg 0.66544 0.50000 0.33183 1.00000
Hg2 Hg 0.32948 0.00000 0.65720 1.00000
Hg3 Hg 0.00000 0.50000 0.00000 1.00000
Hg4 Hg 0.67052 1.00000 0.34280 1.00000
Hg5 Hg 0.33456 0.50000 0.66817 1.00000
Pm1 Pm 0.83225 0.74606 0.66377 1.00000
Pm2 Pm 0.83225 0.25394 0.66377 1.00000
Pm3 Pm 0.50000 0.25247 0.00000 1.00000
Pm4 Pm 0.50000 0.74753 1.00000 1.00000
Pm5 Pm 0.16775 0.74606 0.33623 1.00000
Pm6 Pm 0.16775 0.25394 0.33623 1.00000
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