Ac(Sn3Au4)2
Alexandria ALEXAlex-ID: agm072901063 · 空间群: R-3 (#148)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB6C8_72_spg148
Ac(SnAu)2 SnAu AcAu3
2024-10-11 15:06:40.833788
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072901063).
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 agm072901063
data_agm072901063
_cell_length_a 7.37559
_cell_length_b 7.36366
_cell_length_c 7.37141
_cell_angle_alpha 100.33203
_cell_angle_beta 100.21337
_cell_angle_gamma 100.26107
_cell_volume 378.39678
_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
Ac1 Ac 0.00000 0.00000 0.00000 1.00000
Sn1 Sn 0.66016 0.29832 0.21973 1.00000
Sn2 Sn 0.21823 0.65980 0.29777 1.00000
Sn3 Sn 0.29844 0.21763 0.65999 1.00000
Sn4 Sn 0.33984 0.70168 0.78027 1.00000
Sn5 Sn 0.78177 0.34020 0.70223 1.00000
Sn6 Sn 0.70156 0.78237 0.34001 1.00000
Au1 Au 0.31569 0.31561 0.31596 1.00000
Au2 Au 0.68431 0.68439 0.68404 1.00000
Au3 Au 0.15610 0.41684 0.93748 1.00000
Au4 Au 0.93876 0.15661 0.41708 1.00000
Au5 Au 0.41628 0.93744 0.15518 1.00000
Au6 Au 0.84390 0.58316 0.06252 1.00000
Au7 Au 0.06124 0.84339 0.58292 1.00000
Au8 Au 0.58372 0.06256 0.84482 1.00000
获取直接链接