NdCu(H4Ru)2
Alexandria ALEXAlex-ID: agm007728652 · 空间群: Pm (#6)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D8_2116_spg38
NdH5Ru CuH4 Ru Cu
2024-03-16 03:05:28.783640
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007728652).
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 agm007728652
data_agm007728652
_cell_length_a 4.44281
_cell_length_b 4.68588
_cell_length_c 5.26137
_cell_angle_alpha 90.36523
_cell_angle_beta 89.99683
_cell_angle_gamma 89.99492
_cell_volume 109.53131
_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
Nd1 Nd 0.36793 0.61611 0.55197 1.00000
Cu1 Cu 0.86887 0.13383 0.24423 1.00000
H1 H 0.86793 0.75794 0.32432 1.00000
H2 H 0.13095 0.13665 0.51936 1.00000
H3 H 0.13529 0.40151 0.13199 1.00000
H4 H 0.86777 0.45695 0.70820 1.00000
H5 H 0.14551 0.88024 0.92938 1.00000
H6 H 0.59034 0.88013 0.92922 1.00000
H7 H 0.60523 0.13657 0.51913 1.00000
H8 H 0.60128 0.40114 0.13242 1.00000
Ru1 Ru 0.86798 0.62799 0.02679 1.00000
Ru2 Ru 0.86788 0.08907 0.74255 1.00000
获取直接链接