AcPu3Au4
Alexandria ALEXAlex-ID: agm063662007 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C4_265_spg13
PuAu AcAu2 Pu
2024-08-25 17:20:40.039081
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm063662007).
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 agm063662007
data_agm063662007
_cell_length_a 5.63215
_cell_length_b 7.54272
_cell_length_c 9.82689
_cell_angle_alpha 91.54623
_cell_angle_beta 88.40467
_cell_angle_gamma 99.32087
_cell_volume 411.68514
_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
Ac1 Ac 0.28417 0.02058 0.15884 1.00000
Ac2 Ac 0.71583 0.97942 0.84116 1.00000
Pu1 Pu 0.25569 0.05393 0.58853 1.00000
Pu2 Pu 0.74431 0.94607 0.41147 1.00000
Pu3 Pu 0.67565 0.48437 0.34718 1.00000
Pu4 Pu 0.76089 0.46466 0.90120 1.00000
Pu5 Pu 0.32435 0.51563 0.65282 1.00000
Pu6 Pu 0.23911 0.53534 0.09880 1.00000
Au1 Au 0.21582 0.72153 0.39059 1.00000
Au2 Au 0.76147 0.76426 0.12124 1.00000
Au3 Au 0.85979 0.68590 0.62486 1.00000
Au4 Au 0.17802 0.79169 0.86448 1.00000
Au5 Au 0.82198 0.20831 0.13552 1.00000
Au6 Au 0.14021 0.31410 0.37514 1.00000
Au7 Au 0.23853 0.23574 0.87876 1.00000
Au8 Au 0.78418 0.27847 0.60941 1.00000
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