Np2Re3Ge5
Alexandria ALEXAlex-ID: agm045458963 · 空间群: P4/mnc (#128)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C5_79_spg128
Np2Ge Re NpGe3
2024-12-08 11:24:57
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm045458963).
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 agm045458963
data_agm045458963
_cell_length_a 11.27358
_cell_length_b 11.27358
_cell_length_c 5.63618
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 716.32238
_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 0.23216 0.07158 0.50000 1.00000
Np2 Np 0.76784 0.92842 0.50000 1.00000
Np3 Np 0.26784 0.57158 0.00000 1.00000
Np4 Np 0.73216 0.42842 0.00000 1.00000
Np5 Np 0.07158 0.76784 0.50000 1.00000
Np6 Np 0.92842 0.23216 0.50000 1.00000
Np7 Np 0.57158 0.73216 0.00000 1.00000
Np8 Np 0.42842 0.26784 0.00000 1.00000
Re1 Re 0.35734 0.38317 0.50000 1.00000
Re2 Re 0.64266 0.61683 0.50000 1.00000
Re3 Re 0.14266 0.88317 0.00000 1.00000
Re4 Re 0.85734 0.11683 0.00000 1.00000
Re5 Re 0.38317 0.64266 0.50000 1.00000
Re6 Re 0.61683 0.35734 0.50000 1.00000
Re7 Re 0.88317 0.85734 0.00000 1.00000
Re8 Re 0.11683 0.14266 0.00000 1.00000
Re9 Re 0.50000 0.00000 0.25000 1.00000
Re10 Re 0.00000 0.50000 0.75000 1.00000
Re11 Re 0.00000 0.50000 0.25000 1.00000
Re12 Re 0.50000 0.00000 0.75000 1.00000
Ge1 Ge 0.67512 0.17512 0.25000 1.00000
Ge2 Ge 0.32488 0.82488 0.25000 1.00000
Ge3 Ge 0.82488 0.67512 0.75000 1.00000
Ge4 Ge 0.17512 0.32488 0.75000 1.00000
Ge5 Ge 0.17512 0.32488 0.25000 1.00000
Ge6 Ge 0.82488 0.67512 0.25000 1.00000
Ge7 Ge 0.67512 0.17512 0.75000 1.00000
Ge8 Ge 0.32488 0.82488 0.75000 1.00000
Ge9 Ge 0.00000 0.00000 0.27110 1.00000
Ge10 Ge 0.50000 0.50000 0.77110 1.00000
Ge11 Ge 0.00000 0.00000 0.72890 1.00000
Ge12 Ge 0.50000 0.50000 0.22890 1.00000
Ge13 Ge 0.46010 0.18545 0.50000 1.00000
Ge14 Ge 0.53990 0.81455 0.50000 1.00000
Ge15 Ge 0.03990 0.68545 0.00000 1.00000
Ge16 Ge 0.96010 0.31455 0.00000 1.00000
Ge17 Ge 0.18545 0.53990 0.50000 1.00000
Ge18 Ge 0.81455 0.46010 0.50000 1.00000
Ge19 Ge 0.68545 0.96010 0.00000 1.00000
Ge20 Ge 0.31455 0.03990 0.00000 1.00000
