Mg(Np3Re4)2
Alexandria ALEXAlex-ID: agm072228563 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB6C8_247_spg2
Re Np Mg5Re24
2024-10-07 07:12:26.741347
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072228563).
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 agm072228563
data_agm072228563
_cell_length_a 4.98022
_cell_length_b 7.89165
_cell_length_c 8.33546
_cell_angle_alpha 58.86235
_cell_angle_beta 80.54994
_cell_angle_gamma 68.83387
_cell_volume 261.38232
_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
Mg1 Mg 0.72508 0.40255 0.48936 1.00000
Np1 Np 0.75765 0.94461 0.29936 1.00000
Np2 Np 0.82299 0.94130 0.95544 1.00000
Np3 Np 0.62544 0.35925 0.87303 1.00000
Np4 Np 0.50408 0.73740 0.61824 1.00000
Np5 Np 0.44284 0.77828 0.90357 1.00000
Np6 Np 0.64844 0.35451 0.16230 1.00000
Re1 Re 0.16823 0.17542 0.29238 1.00000
Re2 Re 0.11811 0.53800 0.60398 1.00000
Re3 Re 0.89513 0.96421 0.60582 1.00000
Re4 Re 0.19107 0.17608 0.94086 1.00000
Re5 Re 0.16801 0.52804 0.26831 1.00000
Re6 Re 0.33884 0.80848 0.24852 1.00000
Re7 Re 0.05172 0.55873 0.92469 1.00000
Re8 Re 0.34260 0.16732 0.59511 1.00000
获取直接链接