Hf3BeSb2
Alexandria ALEXAlex-ID: agm005751802 · 空间群: Pnma (#62)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_315_spg62
Hf5BeSb3 Hf2Be17 HfSb
2023-08-07 06:33:33.426549
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005751802).
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 agm005751802
data_agm005751802
_cell_length_a 3.89366
_cell_length_b 10.70818
_cell_length_c 11.41662
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 476.00544
_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 0.25000 0.38789 0.05052 1.00000
Hf2 Hf 0.75000 0.61211 0.94948 1.00000
Hf3 Hf 0.75000 0.88789 0.44948 1.00000
Hf4 Hf 0.25000 0.11211 0.55052 1.00000
Hf5 Hf 0.25000 0.73506 0.23789 1.00000
Hf6 Hf 0.75000 0.26494 0.76211 1.00000
Hf7 Hf 0.75000 0.23506 0.26211 1.00000
Hf8 Hf 0.25000 0.76494 0.73789 1.00000
Hf9 Hf 0.25000 0.44963 0.37920 1.00000
Hf10 Hf 0.75000 0.55037 0.62080 1.00000
Hf11 Hf 0.75000 0.94963 0.12080 1.00000
Hf12 Hf 0.25000 0.05037 0.87920 1.00000
Be1 Be 0.25000 0.13337 0.12010 1.00000
Be2 Be 0.75000 0.86663 0.87990 1.00000
Be3 Be 0.75000 0.63337 0.37990 1.00000
Be4 Be 0.25000 0.36663 0.62010 1.00000
Sb1 Sb 0.25000 0.69602 0.49463 1.00000
Sb2 Sb 0.75000 0.30398 0.50537 1.00000
Sb3 Sb 0.75000 0.19602 0.00537 1.00000
Sb4 Sb 0.25000 0.80398 0.99463 1.00000
Sb5 Sb 0.25000 0.01804 0.30606 1.00000
Sb6 Sb 0.75000 0.98196 0.69394 1.00000
Sb7 Sb 0.75000 0.51804 0.19394 1.00000
Sb8 Sb 0.25000 0.48196 0.80606 1.00000
