PuAl2ZnH8
Alexandria ALEXAlex-ID: agm007598685 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D8_404_spg2
Al3Zn4 PuAlH6 AlH3 Zn
2024-02-10 17:11:51
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007598685).
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 agm007598685
data_agm007598685
_cell_length_a 4.82394
_cell_length_b 4.82725
_cell_length_c 6.35800
_cell_angle_alpha 95.85066
_cell_angle_beta 84.24335
_cell_angle_gamma 119.77883
_cell_volume 127.62296
_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 0.09566 0.36271 0.55313 1.00000
Al1 Al 0.46565 0.99201 0.32120 1.00000
Al2 Al 0.40388 0.05418 0.78757 1.00000
Zn1 Zn 0.13825 0.31676 0.01943 1.00000
H1 H 0.58280 0.87689 0.55506 1.00000
H2 H 0.37555 0.08223 0.09861 1.00000
H3 H 0.11412 0.86590 0.49442 1.00000
H4 H 0.34069 0.58950 0.23685 1.00000
H5 H 0.59400 0.34516 0.49248 1.00000
H6 H 0.86738 0.11247 0.23678 1.00000
H7 H 0.22814 0.66545 0.85211 1.00000
H8 H 0.79387 0.23676 0.85236 1.00000
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