Np3Fe4Sn7
Alexandria ALEXAlex-ID: agm009162467 · 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
A3B4C7_8_spg12
NpFe Fe NpSn3
2024-03-04 20:34:36.062425
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009162467).
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 agm009162467
data_agm009162467
_cell_length_a 8.14963
_cell_length_b 8.14963
_cell_length_c 9.67590
_cell_angle_alpha 64.41424
_cell_angle_beta 64.41424
_cell_angle_gamma 31.17512
_cell_volume 297.35554
_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 0.67429 0.67429 0.81244 1.00000
Np2 Np 0.32571 0.32571 0.18756 1.00000
Np3 Np 0.00000 0.00000 0.50000 1.00000
Fe1 Fe 0.31356 0.31356 0.79484 1.00000
Fe2 Fe 0.68644 0.68644 0.20516 1.00000
Fe3 Fe 0.09258 0.09258 0.60835 1.00000
Fe4 Fe 0.90742 0.90742 0.39165 1.00000
Sn1 Sn 0.69224 0.69224 0.45893 1.00000
Sn2 Sn 0.51097 0.51097 0.23829 1.00000
Sn3 Sn 0.16967 0.16967 0.07105 1.00000
Sn4 Sn 0.30776 0.30776 0.54107 1.00000
Sn5 Sn 0.83033 0.83033 0.92895 1.00000
Sn6 Sn 0.00000 0.00000 0.00000 1.00000
Sn7 Sn 0.48903 0.48903 0.76171 1.00000
获取直接链接