PmPr6Hg
Alexandria ALEXAlex-ID: agm003769770 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_206_spg148
Pr2Hg Pm2Hg Pr
2022-04-20 06:14:25.547726
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003769770).
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 agm003769770
data_agm003769770
_cell_length_a 6.70210
_cell_length_b 6.72093
_cell_length_c 9.03174
_cell_angle_alpha 68.37509
_cell_angle_beta 68.48096
_cell_angle_gamma 59.71010
_cell_volume 318.16137
_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
Pm1 Pm 0.50000 0.50000 0.50000 1.00000
Pr1 Pr 0.04059 0.42736 0.71776 1.00000
Pr2 Pr 0.81418 0.03303 0.71778 1.00000
Pr3 Pr 0.56465 0.19144 0.28031 1.00000
Pr4 Pr 0.18582 0.96697 0.28222 1.00000
Pr5 Pr 0.95941 0.57264 0.28224 1.00000
Pr6 Pr 0.43535 0.80856 0.71969 1.00000
Hg1 Hg 0.00000 0.00000 0.00000 1.00000
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