Np2In3Ru2
Alexandria ALEXAlex-ID: agm010045985 · 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
A2B2C3_23_spg12
Np2Ru In3Ru
2024-06-24 11:49:24.797585
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010045985).
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}
}
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# CIF generated by HEAS from Alexandria entry agm010045985
data_agm010045985
_cell_length_a 5.59443
_cell_length_b 5.59443
_cell_length_c 6.47497
_cell_angle_alpha 81.94088
_cell_angle_beta 81.94088
_cell_angle_gamma 47.78509
_cell_volume 148.31475
_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 0.60089 0.60089 0.84252 1.00000
Np2 Np 0.39911 0.39911 0.15748 1.00000
In1 In 0.30826 0.30826 0.67289 1.00000
In2 In 0.00000 0.00000 0.50000 1.00000
In3 In 0.69174 0.69174 0.32711 1.00000
Ru1 Ru 0.14383 0.14383 0.08561 1.00000
Ru2 Ru 0.85617 0.85617 0.91439 1.00000
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