HfNb8
Alexandria ALEXAlex-ID: agm007889652 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB8_23_spg71
HfNb17 Hf
2024-04-07 16:00:56
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007889652).
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 agm007889652
data_agm007889652
_cell_length_a 7.28864
_cell_length_b 7.28864
_cell_length_c 7.28864
_cell_angle_alpha 92.98533
_cell_angle_beta 92.98533
_cell_angle_gamma 153.61646
_cell_volume 167.52403
_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
Hf1 Hf 0.00000 0.00000 0.00000 1.00000
Nb1 Nb 0.32762 0.32762 0.65525 1.00000
Nb2 Nb 0.67238 0.67238 0.34475 1.00000
Nb3 Nb 0.00000 0.66579 0.66579 1.00000
Nb4 Nb 0.67238 0.32762 0.00000 1.00000
Nb5 Nb 0.33421 0.00000 0.33421 1.00000
Nb6 Nb 0.32762 0.67238 0.00000 1.00000
Nb7 Nb 0.00000 0.33421 0.33421 1.00000
Nb8 Nb 0.66579 0.00000 0.66579 1.00000
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