Np3In5Ni
Alexandria ALEXAlex-ID: agm072689445 · 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
AB3C5_1080_spg1
In3Ni2 Np In
2024-09-24 21:13:06.674360
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072689445).
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 agm072689445
data_agm072689445
_cell_length_a 5.25278
_cell_length_b 6.12288
_cell_length_c 6.42321
_cell_angle_alpha 95.83844
_cell_angle_beta 95.51566
_cell_angle_gamma 98.67237
_cell_volume 201.85398
_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 0.51279 0.63364 0.65751 1.00000
Np2 Np 0.06392 0.67151 0.49125 1.00000
Np3 Np 0.79942 0.35397 0.60262 1.00000
In1 In 0.66803 0.39239 0.11108 1.00000
In2 In 0.60003 0.88755 0.23865 1.00000
In3 In 0.29457 0.12373 0.77199 1.00000
In4 In 0.08451 0.71315 0.98461 1.00000
In5 In 0.17333 0.19114 0.27685 1.00000
Ni1 Ni 0.80904 0.03358 0.87178 1.00000
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