Hf6Fe2Sb
Alexandria ALEXAlex-ID: agm005705358 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_712_spg71
HfFe Hf6FeSb2 Hf
2023-07-07 01:27:13.506292
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005705358).
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 agm005705358
data_agm005705358
_cell_length_a 7.77966
_cell_length_b 7.77966
_cell_length_c 7.77965
_cell_angle_alpha 101.27150
_cell_angle_beta 114.01091
_cell_angle_gamma 113.43016
_cell_volume 356.99490
_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 0.51348 0.81616 0.69732 1.00000
Hf2 Hf 0.48652 0.18384 0.30268 1.00000
Hf3 Hf 0.11884 0.81616 0.30268 1.00000
Hf4 Hf 0.88116 0.18384 0.69732 1.00000
Hf5 Hf 0.79191 0.03096 0.23906 1.00000
Hf6 Hf 0.20809 0.96904 0.76094 1.00000
Hf7 Hf 0.20809 0.44715 0.23906 1.00000
Hf8 Hf 0.79191 0.55285 0.76094 1.00000
Hf9 Hf 0.68758 0.33303 0.02061 1.00000
Hf10 Hf 0.31242 0.66697 0.97939 1.00000
Hf11 Hf 0.31242 0.33303 0.64545 1.00000
Hf12 Hf 0.68758 0.66697 0.35455 1.00000
Fe1 Fe 0.50000 0.13213 0.63213 1.00000
Fe2 Fe 0.50000 0.86787 0.36787 1.00000
Fe3 Fe 0.66368 0.66368 0.00000 1.00000
Fe4 Fe 0.33632 0.33632 1.00000 1.00000
Sb1 Sb 0.00000 0.50000 0.50000 1.00000
Sb2 Sb 0.00000 0.00000 0.00000 1.00000
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