SrSnGe
Alexandria ALEXAlex-ID: agm088569974 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_30_spg11
SrSn3 SrGe2 Sr3Sn5
2025-04-16 14:46:41
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm088569974).
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 agm088569974
data_agm088569974
_cell_length_a 4.29941
_cell_length_b 6.46982
_cell_length_c 7.02008
_cell_angle_alpha 98.39708
_cell_angle_beta 90.01800
_cell_angle_gamma 109.36640
_cell_volume 182.00077
_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 0.16980 0.34019 0.71019 1.00000
Sr2 Sr 0.83020 0.65981 0.28981 1.00000
Sn1 Sn 0.09727 0.19517 0.15907 1.00000
Sn2 Sn 0.90273 0.80483 0.84093 1.00000
Ge1 Ge 0.42164 0.84277 0.60317 1.00000
Ge2 Ge 0.57836 0.15723 0.39683 1.00000
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