Np5OsPd3
Alexandria ALEXAlex-ID: agm072825366 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C5_1189_spg1
Np Os NpPd3
2024-09-24 19:26:16.166628
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072825366).
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 agm072825366
data_agm072825366
_cell_length_a 5.24736
_cell_length_b 5.25940
_cell_length_c 6.41450
_cell_angle_alpha 96.01892
_cell_angle_beta 109.21839
_cell_angle_gamma 89.47552
_cell_volume 166.17933
_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
Np1 Np 0.13695 0.50601 0.17639 1.00000
Np2 Np 0.86109 0.45058 0.69436 1.00000
Np3 Np 0.22762 0.63856 0.59790 1.00000
Np4 Np 0.63802 0.84145 0.57331 1.00000
Np5 Np 0.57999 0.24862 0.32815 1.00000
Os1 Os 0.09166 0.05883 0.40707 1.00000
Pd1 Pd 0.45852 0.22555 0.86168 1.00000
Pd2 Pd 0.05805 0.98080 0.97272 1.00000
Pd3 Pd 0.62519 0.74571 0.07838 1.00000
获取直接链接