DyPu2Al9
Alexandria ALEXAlex-ID: agm003540802 · 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
AB2C9_0_spg166
DyAl3 PuAl3
2022-03-18 18:29:07.268980
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003540802).
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 agm003540802
data_agm003540802
_cell_length_a 5.50583
_cell_length_b 5.50583
_cell_length_c 9.40773
_cell_angle_alpha 72.98497
_cell_angle_beta 72.98497
_cell_angle_gamma 60.00000
_cell_volume 232.45375
_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
Dy1 Dy 0.00000 0.00000 0.00000 1.00000
Pu1 Pu 0.85577 0.85577 0.43270 1.00000
Pu2 Pu 0.14423 0.14423 0.56730 1.00000
Al1 Al 0.66536 0.66536 0.00393 1.00000
Al2 Al 0.33464 0.33464 0.99607 1.00000
Al3 Al 0.50000 0.50000 0.50000 1.00000
Al4 Al 0.41430 0.41430 0.24924 1.00000
Al5 Al 0.92216 0.41430 0.24924 1.00000
Al6 Al 0.41430 0.92216 0.24924 1.00000
Al7 Al 0.58570 0.58570 0.75076 1.00000
Al8 Al 0.58570 0.07784 0.75076 1.00000
Al9 Al 0.07784 0.58570 0.75076 1.00000
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