Nb5In7
Alexandria ALEXAlex-ID: agm007883201 · 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
A5B7_539_spg12
Nb7In In
2024-05-10 05:22:44.191525
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007883201).
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 agm007883201
data_agm007883201
_cell_length_a 7.34373
_cell_length_b 7.34373
_cell_length_c 9.39520
_cell_angle_alpha 62.12728
_cell_angle_beta 62.12728
_cell_angle_gamma 34.35705
_cell_volume 249.37301
_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
Nb1 Nb 0.84194 0.84194 0.99107 1.00000
Nb2 Nb 0.15806 0.15806 0.00893 1.00000
Nb3 Nb 0.74724 0.74724 0.77945 1.00000
Nb4 Nb 0.25276 0.25276 0.22055 1.00000
Nb5 Nb 0.00000 0.00000 0.50000 1.00000
In1 In 0.60084 0.60084 0.24299 1.00000
In2 In 0.39916 0.39916 0.75701 1.00000
In3 In 0.09470 0.09470 0.74428 1.00000
In4 In 0.90530 0.90530 0.25572 1.00000
In5 In 0.34145 0.34145 0.49700 1.00000
In6 In 0.50000 0.50000 0.00000 1.00000
In7 In 0.65855 0.65855 0.50300 1.00000
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