Y5Hf3Bi8
Alexandria ALEXAlex-ID: agm009067540 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B5C8_3_spg166
HfBi YBi
2024-07-14 11:36:28.649334
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009067540).
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 agm009067540
data_agm009067540
_cell_length_a 8.76170
_cell_length_b 8.76170
_cell_length_c 8.76170
_cell_angle_alpha 59.83538
_cell_angle_beta 59.83538
_cell_angle_gamma 59.83538
_cell_volume 473.83174
_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
Y1 Y 0.00000 0.50000 0.50000 1.00000
Y2 Y 0.50000 0.50000 0.00000 1.00000
Y3 Y 0.00000 0.00000 0.00000 1.00000
Y4 Y 0.50000 0.00000 0.50000 1.00000
Y5 Y 0.50000 0.50000 0.50000 1.00000
Hf1 Hf 0.00000 0.50000 0.00000 1.00000
Hf2 Hf 0.00000 0.00000 0.50000 1.00000
Hf3 Hf 0.50000 0.00000 0.00000 1.00000
Bi1 Bi 0.24999 0.24999 0.76135 1.00000
Bi2 Bi 0.76135 0.24999 0.24999 1.00000
Bi3 Bi 0.24999 0.76135 0.24999 1.00000
Bi4 Bi 0.75554 0.75554 0.75554 1.00000
Bi5 Bi 0.75001 0.75001 0.23865 1.00000
Bi6 Bi 0.23865 0.75001 0.75001 1.00000
Bi7 Bi 0.75001 0.23865 0.75001 1.00000
Bi8 Bi 0.24446 0.24446 0.24446 1.00000
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