Sr2Np3Ru2
Alexandria ALEXAlex-ID: agm009404567 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C3_530_spg12
Np2Ru NpRu3 Sr
2024-03-18 10:43:07.657910
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009404567).
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
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# CIF generated by HEAS from Alexandria entry agm009404567
data_agm009404567
_cell_length_a 7.64787
_cell_length_b 4.36033
_cell_length_c 6.31058
_cell_angle_alpha 91.90670
_cell_angle_beta 97.45944
_cell_angle_gamma 104.46413
_cell_volume 201.57206
_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
Sr1 Sr 0.74863 0.85185 0.53273 1.00000
Sr2 Sr 0.25137 0.14815 0.46727 1.00000
Np1 Np 0.00000 0.50000 0.00000 1.00000
Np2 Np 0.42093 0.71301 0.99510 1.00000
Np3 Np 0.57907 0.28699 0.00490 1.00000
Ru1 Ru 0.81797 0.89654 0.04157 1.00000
Ru2 Ru 0.18203 0.10346 0.95843 1.00000
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