LaNp(H3Ru)2
Alexandria ALEXAlex-ID: agm007708948 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D6_2165_spg15
Np2Ru NpRu3 LaH5Ru NpH3
2024-03-05 19:18:09.397471
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007708948).
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 agm007708948
data_agm007708948
_cell_length_a 6.11526
_cell_length_b 6.11526
_cell_length_c 6.31304
_cell_angle_alpha 76.17545
_cell_angle_beta 76.17545
_cell_angle_gamma 99.92781
_cell_volume 215.91084
_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
La1 La 0.84793 0.15207 0.75000 1.00000
La2 La 0.15207 0.84793 0.25000 1.00000
Np1 Np 0.40004 0.59996 0.75000 1.00000
Np2 Np 0.59996 0.40004 0.25000 1.00000
H1 H 0.43942 0.92133 0.88009 1.00000
H2 H 0.07867 0.56058 0.61991 1.00000
H3 H 0.56058 0.07867 0.11991 1.00000
H4 H 0.92133 0.43942 0.38009 1.00000
H5 H 0.18405 0.20733 0.94015 1.00000
H6 H 0.79267 0.81595 0.55985 1.00000
H7 H 0.81595 0.79267 0.05985 1.00000
H8 H 0.20733 0.18405 0.44015 1.00000
H9 H 0.54694 0.31939 0.62791 1.00000
H10 H 0.68061 0.45306 0.87209 1.00000
H11 H 0.45306 0.68061 0.37209 1.00000
H12 H 0.31939 0.54694 0.12791 1.00000
Ru1 Ru 0.06721 0.33340 0.17314 1.00000
Ru2 Ru 0.66660 0.93279 0.32686 1.00000
Ru3 Ru 0.93279 0.66660 0.82686 1.00000
Ru4 Ru 0.33340 0.06721 0.67314 1.00000
获取直接链接