Sr3Si2Ag
Alexandria ALEXAlex-ID: agm005673695 · 空间群: P2_1/c (#14)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_2100_spg14
SrSi SrAg
2023-08-25 00:12:20.509883
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005673695).
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 agm005673695
data_agm005673695
_cell_length_a 6.26127
_cell_length_b 11.45272
_cell_length_c 10.63599
_cell_angle_alpha 90.00000
_cell_angle_beta 108.14102
_cell_angle_gamma 90.00000
_cell_volume 724.78042
_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 0.24991 0.89822 0.97152 1.00000
Sr2 Sr 0.25009 0.39822 0.52848 1.00000
Sr3 Sr 0.75009 0.10178 0.02848 1.00000
Sr4 Sr 0.74991 0.60178 0.47152 1.00000
Sr5 Sr 0.30546 0.53723 0.10325 1.00000
Sr6 Sr 0.19454 0.03723 0.39675 1.00000
Sr7 Sr 0.69454 0.46277 0.89675 1.00000
Sr8 Sr 0.80546 0.96277 0.60325 1.00000
Sr9 Sr 0.82544 0.76916 0.15553 1.00000
Sr10 Sr 0.67456 0.26916 0.34447 1.00000
Sr11 Sr 0.17456 0.23084 0.84447 1.00000
Sr12 Sr 0.32544 0.73084 0.65553 1.00000
Si1 Si 0.60154 0.99348 0.27462 1.00000
Si2 Si 0.89846 0.49348 0.22538 1.00000
Si3 Si 0.39846 0.00652 0.72538 1.00000
Si4 Si 0.10154 0.50652 0.77462 1.00000
Si5 Si 0.20032 0.62811 0.36533 1.00000
Si6 Si 0.29968 0.12811 0.13467 1.00000
Si7 Si 0.79968 0.37189 0.63467 1.00000
Si8 Si 0.70032 0.87189 0.86533 1.00000
Ag1 Ag 0.39647 0.80026 0.29380 1.00000
Ag2 Ag 0.10353 0.30026 0.20620 1.00000
Ag3 Ag 0.60353 0.19974 0.70620 1.00000
Ag4 Ag 0.89647 0.69974 0.79380 1.00000
