NpGa2Ni4Ge
Alexandria ALEXAlex-ID: agm004789136 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4_337_spg166
Np2Ni3Ge Ga9Ni13 Np(NiGe)2 NpNiGe
2023-01-27 12:57:27.207986
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004789136).
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 agm004789136
data_agm004789136
_cell_length_a 4.06673
_cell_length_b 4.06673
_cell_length_c 8.53382
_cell_angle_alpha 76.21547
_cell_angle_beta 76.21547
_cell_angle_gamma 60.00000
_cell_volume 117.50918
_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 0.00000 0.00000 0.00000 1.00000
Ga1 Ga 0.75332 0.75332 0.74003 1.00000
Ga2 Ga 0.24668 0.24668 0.25997 1.00000
Ni1 Ni 0.40279 0.40279 0.79163 1.00000
Ni2 Ni 0.86555 0.86555 0.40334 1.00000
Ni3 Ni 0.13445 0.13445 0.59666 1.00000
Ni4 Ni 0.59721 0.59721 0.20837 1.00000
Ge1 Ge 0.50000 0.50000 0.50000 1.00000
