Sr2NpCu2Se5
Alexandria ALEXAlex-ID: agm030380171 · 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
AB2C2D5_15_spg12
Sr2NpCu2Se5
2024-12-05 02:46:31
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm030380171).
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 agm030380171
data_agm030380171
_cell_length_a 7.13168
_cell_length_b 7.13168
_cell_length_c 9.73317
_cell_angle_alpha 65.34513
_cell_angle_beta 114.65487
_cell_angle_gamma 146.12910
_cell_volume 248.28315
_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 0.83064 0.16936 0.79897 1.00000
Sr2 Sr 0.16936 0.83064 0.20103 1.00000
Np1 Np 0.00000 0.00000 0.50000 1.00000
Cu1 Cu 0.44200 0.55800 0.20789 1.00000
Cu2 Cu 0.55800 0.44200 0.79211 1.00000
Se1 Se 0.84182 0.15818 0.19258 1.00000
Se2 Se 0.15818 0.84182 0.80742 1.00000
Se3 Se 0.61868 0.38132 0.43273 1.00000
Se4 Se 0.38132 0.61868 0.56727 1.00000
Se5 Se 0.50000 0.50000 0.00000 1.00000
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