AgSb3
Alexandria ALEXAlex-ID: agm005495218 · 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
AB3_1051_spg139
Sb Ag
2023-03-18 07:42:18.787193
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005495218).
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 agm005495218
data_agm005495218
_cell_length_a 7.63275
_cell_length_b 7.63275
_cell_length_c 7.63275
_cell_angle_alpha 136.79603
_cell_angle_beta 136.79603
_cell_angle_gamma 62.75204
_cell_volume 205.83049
_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
Ag1 Ag 0.60970 0.60970 0.00000 1.00000
Ag2 Ag 0.39030 0.39030 0.00000 1.00000
Sb1 Sb 0.00000 0.50000 0.50000 1.00000
Sb2 Sb 0.50000 0.00000 0.50000 1.00000
Sb3 Sb 0.75000 0.25000 0.50000 1.00000
Sb4 Sb 0.25000 0.75000 0.50000 1.00000
Sb5 Sb 0.85746 0.85746 0.00000 1.00000
Sb6 Sb 0.14254 0.14254 0.00000 1.00000
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