Pu2Al8Si2Pt5
Alexandria ALEXAlex-ID: agm009273262 · 空间群: Cmmm (#65)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C5D8_8_spg65
PuAl5Pt3 PuAl2(SiPt)2 Al3Pt2 Pu4(Al8Pt3)3
2024-12-16 11:08:49
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009273262).
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}
}
晶体结构 3D 渲染
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# CIF generated by HEAS from Alexandria entry agm009273262
data_agm009273262
_cell_length_a 17.92548
_cell_length_b 17.92548
_cell_length_c 4.18484
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 166.65020
_cell_volume 310.48197
_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 0.70318 0.29682 0.50000 1.00000
Pu2 Pu 0.29682 0.70318 0.50000 1.00000
Al1 Al 0.62519 0.37481 0.00000 1.00000
Al2 Al 0.37481 0.62519 0.00000 1.00000
Al3 Al 0.87476 0.12524 0.50000 1.00000
Al4 Al 0.12524 0.87476 0.50000 1.00000
Al5 Al 0.95847 0.04153 0.50000 1.00000
Al6 Al 0.04153 0.95847 0.50000 1.00000
Al7 Al 0.54182 0.45818 0.00000 1.00000
Al8 Al 0.45818 0.54182 0.00000 1.00000
Si1 Si 0.76693 0.23307 0.00000 1.00000
Si2 Si 0.23307 0.76693 0.00000 1.00000
Pt1 Pt 0.83370 0.16630 0.00000 1.00000
Pt2 Pt 0.16630 0.83370 0.00000 1.00000
Pt3 Pt 0.00000 0.00000 0.00000 1.00000
Pt4 Pt 0.58425 0.41575 0.50000 1.00000
Pt5 Pt 0.41575 0.58425 0.50000 1.00000
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