Sr(SnPd2)4
Alexandria ALEXAlex-ID: agm003671925 · 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
AB4C8_2_spg139
Sr(SnPd2)2 SnPd2
2022-04-21 08:23:17.605214
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003671925).
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 agm003671925
data_agm003671925
_cell_length_a 5.96636
_cell_length_b 7.12593
_cell_length_c 7.12593
_cell_angle_alpha 79.90638
_cell_angle_beta 65.25142
_cell_angle_gamma 65.25142
_cell_volume 249.86797
_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
Sr1 Sr 0.00000 0.00000 0.00000 1.00000
Sn1 Sn 0.00000 0.00000 0.50000 1.00000
Sn2 Sn 0.50000 0.00000 0.50000 1.00000
Sn3 Sn 0.00000 0.50000 0.00000 1.00000
Sn4 Sn 0.50000 0.50000 0.00000 1.00000
Pd1 Pd 0.00000 0.33969 0.66031 1.00000
Pd2 Pd 0.00000 0.66031 0.33969 1.00000
Pd3 Pd 0.33969 0.66031 0.66031 1.00000
Pd4 Pd 0.66031 0.33969 0.33969 1.00000
Pd5 Pd 0.50000 0.77565 0.22435 1.00000
Pd6 Pd 0.50000 0.22435 0.77565 1.00000
Pd7 Pd 0.27565 0.22435 0.22435 1.00000
Pd8 Pd 0.72435 0.77565 0.77565 1.00000
获取直接链接