Sr2Co2Si
Alexandria ALEXAlex-ID: agm005408418 · 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
AB2C2_202_spg139
SrCoSi Sr Co
2023-03-17 21:18:04.561084
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005408418).
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 agm005408418
data_agm005408418
_cell_length_a 5.37081
_cell_length_b 5.37081
_cell_length_c 5.37081
_cell_angle_alpha 114.09578
_cell_angle_beta 114.09578
_cell_angle_gamma 100.57215
_cell_volume 117.15182
_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 0.75000 0.25000 0.50000 1.00000
Sr2 Sr 0.25000 0.75000 0.50000 1.00000
Co1 Co 0.32307 0.32307 0.00000 1.00000
Co2 Co 0.67693 0.67693 0.00000 1.00000
Si1 Si 0.00000 0.00000 0.00000 1.00000
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