SnSb4Au3
Alexandria ALEXAlex-ID: agm006085751 · 空间群: P-43m (#215)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C4_50_spg215
Sb2Au SnAu
2023-10-06 01:50:15.815976
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006085751).
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 agm006085751
data_agm006085751
_cell_length_a 5.93709
_cell_length_b 5.93672
_cell_length_c 5.93716
_cell_angle_alpha 89.99998
_cell_angle_beta 90.00002
_cell_angle_gamma 89.99998
_cell_volume 209.26648
_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
Sb1 Sb 0.31149 0.31148 0.31149 1.00000
Sb2 Sb 0.68851 0.68852 0.31149 1.00000
Sb3 Sb 0.31149 0.68852 0.68851 1.00000
Sb4 Sb 0.68851 0.31148 0.68851 1.00000
Au1 Au 0.00000 0.50000 0.00000 1.00000
Au2 Au 0.00000 0.00000 0.50000 1.00000
Au3 Au 0.50000 0.00000 0.00000 1.00000
Sn1 Sn 0.00000 0.00000 0.00000 1.00000
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