Pm3PuPb3
Alexandria ALEXAlex-ID: agm003545993 · Space group: R3m (#160)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_286_spg166
Pm5Pb4 PuPb Pu
2022-04-04 03:03:31.892752
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003545993).
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 agm003545993
data_agm003545993
_cell_length_a 6.67916
_cell_length_b 6.64953
_cell_length_c 6.64953
_cell_angle_alpha 109.38079
_cell_angle_beta 109.56150
_cell_angle_gamma 109.56150
_cell_volume 227.08936
_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 0.57711 0.58155 0.58155 1.00000
Pm2 Pm 0.99556 0.00000 0.41845 1.00000
Pm3 Pm 0.99556 0.41845 0.00000 1.00000
Pu1 Pu 0.42663 1.00000 1.00000 1.00000
Pb1 Pb 0.99514 0.50265 0.50265 1.00000
Pb2 Pb 0.49250 0.00000 0.49735 1.00000
Pb3 Pb 0.49250 0.49735 0.00000 1.00000
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