LiNp(H3Au)2
Alexandria ALEXAlex-ID: agm007463780 · 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_420_spg15
LiH2Au LiAu3 NpH3 H6Au
2024-02-08 08:16:23
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007463780).
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 agm007463780
data_agm007463780
_cell_length_a 6.16570
_cell_length_b 6.16570
_cell_length_c 5.92278
_cell_angle_alpha 77.43303
_cell_angle_beta 77.43303
_cell_angle_gamma 99.73999
_cell_volume 208.88670
_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
Li1 Li 0.56885 0.43115 0.75000 1.00000
Li2 Li 0.43115 0.56885 0.25000 1.00000
Np1 Np 0.17483 0.82517 0.75000 1.00000
Np2 Np 0.82517 0.17483 0.25000 1.00000
H1 H 0.54403 0.08345 0.62286 1.00000
H2 H 0.91655 0.45597 0.87714 1.00000
H3 H 0.45597 0.91655 0.37714 1.00000
H4 H 0.08345 0.54403 0.12286 1.00000
H5 H 0.82011 0.84665 0.04610 1.00000
H6 H 0.15335 0.17989 0.45390 1.00000
H7 H 0.17989 0.15335 0.95390 1.00000
H8 H 0.84665 0.82011 0.54610 1.00000
H9 H 0.43862 0.67705 0.89286 1.00000
H10 H 0.32295 0.56138 0.60714 1.00000
H11 H 0.56138 0.32295 0.10714 1.00000
H12 H 0.67705 0.43862 0.39286 1.00000
Au1 Au 0.93727 0.67536 0.33285 1.00000
Au2 Au 0.32464 0.06273 0.16715 1.00000
Au3 Au 0.06273 0.32464 0.66715 1.00000
Au4 Au 0.67536 0.93727 0.83285 1.00000
获取直接链接