PuZn(H3Pd)2
Alexandria ALEXAlex-ID: agm007708358 · 空间群: P2_1/m (#11)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D6_3283_spg11
ZnHPd2 H4Pd ZnPd PuH3
2025-05-27 06:28:52
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007708358).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm007708358
data_agm007708358
_cell_length_a 3.84687
_cell_length_b 6.46257
_cell_length_c 8.51879
_cell_angle_alpha 116.73410
_cell_angle_beta 90.00023
_cell_angle_gamma 90.00142
_cell_volume 189.14388
_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 0.75000 0.29215 0.58627 1.00000
Pu2 Pu 0.25000 0.70785 0.41373 1.00000
Zn1 Zn 0.74999 0.80157 0.15274 1.00000
Zn2 Zn 0.25001 0.19843 0.84726 1.00000
H1 H 0.75000 0.18733 0.83488 1.00000
H2 H 0.24998 0.08957 0.56290 1.00000
H3 H 0.25000 0.81267 0.16512 1.00000
H4 H 0.75002 0.91043 0.43710 1.00000
H5 H 0.24999 0.30921 0.11695 1.00000
H6 H 0.25001 0.83369 0.75822 1.00000
H7 H 0.75001 0.69079 0.88305 1.00000
H8 H 0.74999 0.16631 0.24178 1.00000
H9 H 0.74999 0.59402 0.24262 1.00000
H10 H 0.75000 0.62626 0.53636 1.00000
H11 H 0.25001 0.40598 0.75738 1.00000
H12 H 0.25000 0.37374 0.46364 1.00000
Pd1 Pd 0.25001 0.12794 0.24502 1.00000
Pd2 Pd 0.24997 0.69366 0.91643 1.00000
Pd3 Pd 0.74999 0.87206 0.75498 1.00000
Pd4 Pd 0.75003 0.30634 0.08357 1.00000
获取直接链接