Pu2Pa(SiPt)2
Alexandria ALEXAlex-ID: agm024815744 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D2_16_spg166
PaSiPt PuSiPt Pu3Si PuPaPt2
2025-06-27 17:10:46
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024815744).
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 agm024815744
data_agm024815744
_cell_length_a 4.29687
_cell_length_b 4.29687
_cell_length_c 9.09691
_cell_angle_alpha 76.32545
_cell_angle_beta 103.67455
_cell_angle_gamma 119.99734
_cell_volume 139.93445
_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 0.13773 0.86227 0.41046 1.00000
Pu2 Pu 0.86429 0.13571 0.58955 1.00000
Pa1 Pa 0.00100 0.99900 0.99999 1.00000
Si1 Si 0.74270 0.25730 0.22592 1.00000
Si2 Si 0.25931 0.74069 0.77413 1.00000
Pt1 Pt 0.60057 0.39943 0.79790 1.00000
Pt2 Pt 0.40146 0.59854 0.20204 1.00000
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