Pu4AgPt2Au
Alexandria ALEXAlex-ID: agm004789986 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4_337_spg166
Pu4Pt3 PuAu Pu2Ag3Au
2023-01-21 12:52:16.950197
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004789986).
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 agm004789986
data_agm004789986
_cell_length_a 5.05418
_cell_length_b 5.05418
_cell_length_c 8.76292
_cell_angle_alpha 73.23873
_cell_angle_beta 73.23873
_cell_angle_gamma 60.00000
_cell_volume 182.79322
_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 0.37746 0.37746 0.86761 1.00000
Pu2 Pu 0.87283 0.87283 0.38152 1.00000
Pu3 Pu 0.12717 0.12717 0.61848 1.00000
Pu4 Pu 0.62254 0.62254 0.13239 1.00000
Ag1 Ag 0.00000 0.00000 0.00000 1.00000
Pt1 Pt 0.74421 0.74421 0.76736 1.00000
Pt2 Pt 0.25579 0.25579 0.23264 1.00000
Au1 Au 0.50000 0.50000 0.50000 1.00000
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