Sr5Li2Ag5
Alexandria ALEXAlex-ID: agm005666246 · 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
A2B5C5_19_spg12
SrLiAg SrAg
2023-06-19 02:28:15.345041
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005666246).
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 agm005666246
data_agm005666246
_cell_length_a 4.52284
_cell_length_b 8.63867
_cell_length_c 9.78837
_cell_angle_alpha 87.57301
_cell_angle_beta 76.64220
_cell_angle_gamma 74.82438
_cell_volume 359.05521
_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 0.50000 0.50000 1.00000
Sr2 Sr 0.68474 0.71195 0.91858 1.00000
Sr3 Sr 0.37397 0.92642 0.32563 1.00000
Sr4 Sr 0.62603 0.07358 0.67437 1.00000
Sr5 Sr 0.31526 0.28805 0.08142 1.00000
Li1 Li 0.38345 0.46935 0.76374 1.00000
Li2 Li 0.61655 0.53064 0.23626 1.00000
Ag1 Ag 0.71061 0.23202 0.34677 1.00000
Ag2 Ag 0.93146 0.30629 0.83080 1.00000
Ag3 Ag 0.06854 0.69371 0.16920 1.00000
Ag4 Ag 0.28939 0.76798 0.65323 1.00000
Ag5 Ag 0.00000 0.00000 0.00000 1.00000
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