Hf3Nb4
Alexandria ALEXAlex-ID: agm011368166 · 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
A3B4_122_spg139
HfNb17 Hf
2024-03-17 16:21:04.146368
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011368166).
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 agm011368166
data_agm011368166
_cell_length_a 10.06933
_cell_length_b 10.06933
_cell_length_c 3.02673
_cell_angle_alpha 81.63371
_cell_angle_beta 81.63371
_cell_angle_gamma 27.21479
_cell_volume 138.76513
_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 0.50000 1.00000
Hf2 Hf 0.70898 0.70898 0.31104 1.00000
Hf3 Hf 0.29102 0.29102 0.68896 1.00000
Nb1 Nb 0.13943 0.13943 0.97769 1.00000
Nb2 Nb 0.86057 0.86057 0.02231 1.00000
Nb3 Nb 0.57004 0.57004 0.79782 1.00000
Nb4 Nb 0.42996 0.42996 0.20218 1.00000
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