Y4FeSb
Alexandria ALEXAlex-ID: agm005804137 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC4_1160_spg15
YFe2 Y5Sb3 Y
2023-07-28 06:36:59.118385
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005804137).
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 agm005804137
data_agm005804137
_cell_length_a 6.06104
_cell_length_b 7.94657
_cell_length_c 7.94657
_cell_angle_alpha 112.52404
_cell_angle_beta 102.76664
_cell_angle_gamma 102.76662
_cell_volume 324.35647
_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 0.84938 0.64939 0.79133 1.00000
Y2 Y 0.06414 0.94225 0.27390 1.00000
Y3 Y 0.65062 0.20867 0.35061 1.00000
Y4 Y 0.43586 0.72610 0.05775 1.00000
Y5 Y 0.56414 0.27390 0.94225 1.00000
Y6 Y 0.34938 0.79133 0.64939 1.00000
Y7 Y 0.93586 0.05775 0.72610 1.00000
Y8 Y 0.15062 0.35061 0.20867 1.00000
Fe1 Fe 0.25000 0.00028 0.99972 1.00000
Fe2 Fe 0.75000 0.99972 0.00028 1.00000
Sb1 Sb 0.75000 0.62761 0.37238 1.00000
Sb2 Sb 0.25000 0.37239 0.62762 1.00000
获取直接链接