Pu3SnPb5
Alexandria ALEXAlex-ID: agm034600162 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_1025_spg189
PuSn PuPb3 PuPb
2024-09-13 12:39:22.391244
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034600162).
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
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# CIF generated by HEAS from Alexandria entry agm034600162
data_agm034600162
_cell_length_a 8.35694
_cell_length_b 8.35694
_cell_length_c 4.66917
_cell_angle_alpha 84.08967
_cell_angle_beta 84.08967
_cell_angle_gamma 122.99743
_cell_volume 267.04449
_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
Pu1 Pu 0.78936 0.78936 0.48995 1.00000
Pu2 Pu 0.26351 0.95480 0.34365 1.00000
Pu3 Pu 0.95480 0.26351 0.34365 1.00000
Sn1 Sn 0.09084 0.09084 0.85886 1.00000
Pb1 Pb 0.94486 0.61684 0.98090 1.00000
Pb2 Pb 0.61684 0.94486 0.98090 1.00000
Pb3 Pb 0.45396 0.45396 0.15600 1.00000
Pb4 Pb 0.28950 0.59570 0.67360 1.00000
Pb5 Pb 0.59570 0.28950 0.67360 1.00000
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