Fe2Sb3
Alexandria ALEXAlex-ID: agm005508169 · 空间群: Fdd2 (#43)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3_10_spg43
FeSb2 Fe
2023-03-20 05:38:09.527032
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005508169).
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 agm005508169
data_agm005508169
_cell_length_a 8.27904
_cell_length_b 7.54058
_cell_length_c 5.75228
_cell_angle_alpha 75.71419
_cell_angle_beta 61.96236
_cell_angle_gamma 42.32345
_cell_volume 210.32506
_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
Fe1 Fe 0.61051 0.17172 0.97921 1.00000
Fe2 Fe 0.23856 0.97921 0.17172 1.00000
Fe3 Fe 0.27079 0.01144 0.63949 1.00000
Fe4 Fe 0.07828 0.63949 0.01144 1.00000
Sb1 Sb 0.65263 0.78649 0.17060 1.00000
Sb2 Sb 0.39029 0.17060 0.78649 1.00000
Sb3 Sb 0.07940 0.85971 0.59737 1.00000
Sb4 Sb 0.46351 0.59737 0.85971 1.00000
Sb5 Sb 0.10801 0.39199 0.39199 1.00000
Sb6 Sb 0.85801 0.14199 0.14199 1.00000
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