PuH8Pd2Pt
Alexandria ALEXAlex-ID: agm007562001 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D8_13_spg5
PuH6Pt HPd
2025-05-28 05:27:09
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007562001).
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 agm007562001
data_agm007562001
_cell_length_a 4.46659
_cell_length_b 4.32739
_cell_length_c 6.87887
_cell_angle_alpha 91.34785
_cell_angle_beta 89.63406
_cell_angle_gamma 120.45507
_cell_volume 114.58051
_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 0.00000 0.00000 0.50000 1.00000
H1 H 0.27833 0.04125 0.18652 1.00000
H2 H 0.77070 0.54364 0.02000 1.00000
H3 H 0.65598 0.31617 0.52849 1.00000
H4 H 0.34402 0.68383 0.47151 1.00000
H5 H 0.22930 0.45636 0.98000 1.00000
H6 H 0.76307 0.04303 0.18842 1.00000
H7 H 0.23693 0.95697 0.81158 1.00000
H8 H 0.72167 0.95875 0.81348 1.00000
Pd1 Pd 0.67388 0.35492 0.77653 1.00000
Pd2 Pd 0.32612 0.64508 0.22347 1.00000
Pt1 Pt 0.00000 0.00000 0.00000 1.00000
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