Hf4Fe4Ge7
Alexandria ALEXAlex-ID: agm005231509 · 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
A4B4C7_0_spg139
Hf4Fe4Ge7
2023-05-14 01:08:56.917174
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005231509).
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 agm005231509
data_agm005231509
_cell_length_a 9.78545
_cell_length_b 9.78545
_cell_length_c 9.78545
_cell_angle_alpha 93.95793
_cell_angle_beta 93.95793
_cell_angle_gamma 149.53646
_cell_volume 458.36392
_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 0.86082 0.13918 0.00000 1.00000
Hf2 Hf 0.13918 0.86082 0.00000 1.00000
Hf3 Hf 0.13918 0.13918 0.27836 1.00000
Hf4 Hf 0.86082 0.86082 0.72164 1.00000
Hf5 Hf 0.50000 0.69438 0.19438 1.00000
Hf6 Hf 0.50000 0.30562 0.80562 1.00000
Hf7 Hf 0.69438 0.50000 0.19438 1.00000
Hf8 Hf 0.30562 0.50000 0.80562 1.00000
Fe1 Fe 0.60093 0.39907 0.50000 1.00000
Fe2 Fe 0.89907 0.10093 0.50000 1.00000
Fe3 Fe 0.89907 0.39907 0.79814 1.00000
Fe4 Fe 0.60093 0.10093 0.20186 1.00000
Fe5 Fe 0.39907 0.89907 0.79814 1.00000
Fe6 Fe 0.10093 0.60093 0.20186 1.00000
Fe7 Fe 0.10093 0.89907 0.50000 1.00000
Fe8 Fe 0.39907 0.60093 0.50000 1.00000
Ge1 Ge 0.70554 0.29446 0.00000 1.00000
Ge2 Ge 0.29446 0.70554 0.00000 1.00000
Ge3 Ge 0.29446 0.29446 0.58892 1.00000
Ge4 Ge 0.70554 0.70554 0.41108 1.00000
Ge5 Ge 0.00000 0.28924 0.28924 1.00000
Ge6 Ge 0.00000 0.71076 0.71076 1.00000
Ge7 Ge 0.28924 0.00000 0.28924 1.00000
Ge8 Ge 0.71076 0.00000 0.71076 1.00000
Ge9 Ge 0.50000 0.90609 0.40609 1.00000
Ge10 Ge 0.50000 0.09391 0.59391 1.00000
Ge11 Ge 0.90609 0.50000 0.40609 1.00000
Ge12 Ge 0.09391 0.50000 0.59391 1.00000
Ge13 Ge 0.24835 0.24835 0.00000 1.00000
Ge14 Ge 0.75165 0.75165 0.00000 1.00000
