PuHf2Nb5
Alexandria ALEXAlex-ID: agm039675481 · 空间群: Fmm2 (#42)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C5_413_spg107
HfNb17 Pu Hf
2024-10-15 11:35:10.721362
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm039675481).
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 agm039675481
data_agm039675481
_cell_length_a 6.77419
_cell_length_b 5.88911
_cell_length_c 5.88205
_cell_angle_alpha 70.26786
_cell_angle_beta 54.91489
_cell_angle_gamma 54.81725
_cell_volume 156.93485
_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 0.78268 0.78268 0.21732 1.00000
Hf1 Hf 0.26668 0.77949 0.22051 1.00000
Hf2 Hf 0.77949 0.26668 0.73332 1.00000
Nb1 Nb 0.77135 0.77135 0.72865 1.00000
Nb2 Nb 0.77040 0.30339 0.22960 1.00000
Nb3 Nb 0.30339 0.77040 0.69661 1.00000
Nb4 Nb 0.27135 0.27135 0.22865 1.00000
Nb5 Nb 0.27853 0.27853 0.72147 1.00000
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