Hf6NbSb2
Alexandria ALEXAlex-ID: agm003501693 · 空间群: P-62m (#189)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_1_spg189
HfNb17 Nb3Sb Hf3Sb
2022-03-01 06:16:17.036704
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003501693).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm003501693
data_agm003501693
_cell_length_a 3.72935
_cell_length_b 7.80633
_cell_length_c 7.80895
_cell_angle_alpha 119.98890
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 196.90315
_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 0.50000 0.60187 1.00000 1.00000
Hf2 Hf 0.50000 0.39820 0.39827 1.00000
Hf3 Hf 0.50000 0.99993 0.60173 1.00000
Hf4 Hf 0.00000 0.25339 0.00000 1.00000
Hf5 Hf 0.00000 0.74662 0.74644 1.00000
Hf6 Hf 0.00000 0.00018 0.25356 1.00000
Nb1 Nb 0.50000 0.99984 0.00000 1.00000
Sb1 Sb 0.00000 0.33337 0.66675 1.00000
Sb2 Sb 0.00000 0.66662 0.33325 1.00000
