PmPr3Pb5
Alexandria ALEXAlex-ID: agm003565786 · Space group: P6_3/mcm (#193)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_128_spg193
Pm5Pb4 Pr3Pb4 PmPb2
2022-03-25 04:06:40.678063
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003565786).
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 agm003565786
data_agm003565786
_cell_length_a 6.67366
_cell_length_b 9.82757
_cell_length_c 9.82757
_cell_angle_alpha 120.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 558.19627
_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 0.00000 0.00000 0.00000 1.00000
Pm2 Pm 0.50000 0.00000 0.00000 1.00000
Pr1 Pr 0.75000 0.37985 0.00000 1.00000
Pr2 Pr 0.75000 0.62015 0.62015 1.00000
Pr3 Pr 0.75000 0.00000 0.37985 1.00000
Pr4 Pr 0.25000 0.62015 0.00000 1.00000
Pr5 Pr 0.25000 0.37985 0.37985 1.00000
Pr6 Pr 0.25000 0.00000 0.62015 1.00000
Pb1 Pb 0.00000 0.33333 0.66667 1.00000
Pb2 Pb 0.50000 0.66667 0.33333 1.00000
Pb3 Pb 0.00000 0.66667 0.33333 1.00000
Pb4 Pb 0.50000 0.33333 0.66667 1.00000
Pb5 Pb 0.75000 0.71186 0.00000 1.00000
Pb6 Pb 0.75000 0.28814 0.28814 1.00000
Pb7 Pb 0.75000 0.00000 0.71186 1.00000
Pb8 Pb 0.25000 0.28814 0.00000 1.00000
Pb9 Pb 0.25000 0.71186 0.71186 1.00000
Pb10 Pb 0.25000 0.00000 0.28814 1.00000
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