SrLi2(FeSn)2
Alexandria ALEXAlex-ID: agm002284366 · 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
AB2C2D2_17_spg12
SrLiSn2 Li8Sn3 SrSn Fe
2018-12-26 17:05:07
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002284366).
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}
}
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# CIF generated by HEAS from Alexandria entry agm002284366
data_agm002284366
_cell_length_a 4.69368
_cell_length_b 4.69368
_cell_length_c 8.07456
_cell_angle_alpha 81.78233
_cell_angle_beta 81.78234
_cell_angle_gamma 58.23860
_cell_volume 149.21028
_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
Li1 Li 0.60274 0.60274 0.36160 1.00000
Li2 Li 0.39726 0.39726 0.63840 1.00000
Sn1 Sn 0.71599 0.71599 0.71185 1.00000
Sn2 Sn 0.28401 0.28401 0.28815 1.00000
Fe1 Fe 0.08679 0.08679 0.59164 1.00000
Fe2 Fe 0.91321 0.91321 0.40836 1.00000
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