Np3(NiGe2)2
Alexandria ALEXAlex-ID: agm003337620 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C4_299_spg12
Np2Ge Np(NiGe)2 NpGe3
2022-01-30 00:24:08.712618
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003337620).
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 agm003337620
data_agm003337620
_cell_length_a 4.18736
_cell_length_b 5.74132
_cell_length_c 8.26024
_cell_angle_alpha 113.34072
_cell_angle_beta 90.00000
_cell_angle_gamma 111.38717
_cell_volume 167.33512
_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 0.60696 0.21393 0.65959 1.00000
Np2 Np 0.00000 0.00000 0.00000 1.00000
Np3 Np 0.39304 0.78607 0.34041 1.00000
Ni1 Ni 0.67651 0.35302 0.32195 1.00000
Ni2 Ni 0.32349 0.64698 0.67805 1.00000
Ge1 Ge 0.72129 0.44258 0.06876 1.00000
Ge2 Ge 0.27871 0.55742 0.93124 1.00000
Ge3 Ge 0.88756 0.77513 0.60388 1.00000
Ge4 Ge 0.11244 0.22487 0.39612 1.00000
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