Sr3Ag3Sn8
Alexandria ALEXAlex-ID: agm005686691 · 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
A3B3C8_0_spg71
Sr2Ag3Sn5 SrSn3
2023-06-29 11:31:15.038152
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005686691).
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 agm005686691
data_agm005686691
_cell_length_a 5.13565
_cell_length_b 9.35970
_cell_length_c 9.12695
_cell_angle_alpha 69.67012
_cell_angle_beta 73.65950
_cell_angle_gamma 74.07678
_cell_volume 387.09175
_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 0.29691 0.69214 0.71404 1.00000
Sr2 Sr 0.70309 0.30786 0.28596 1.00000
Sr3 Sr 0.00000 0.00000 0.00000 1.00000
Ag1 Ag 0.00000 0.50000 0.50000 1.00000
Ag2 Ag 0.66036 0.69182 0.98746 1.00000
Ag3 Ag 0.33964 0.30818 0.01254 1.00000
Sn1 Sn 0.14954 0.13056 0.57036 1.00000
Sn2 Sn 0.85046 0.86944 0.42964 1.00000
Sn3 Sn 0.85972 0.42061 0.85995 1.00000
Sn4 Sn 0.14028 0.57939 0.14005 1.00000
Sn5 Sn 0.49896 0.68114 0.32093 1.00000
Sn6 Sn 0.50104 0.31886 0.67907 1.00000
Sn7 Sn 0.35133 0.03131 0.26603 1.00000
Sn8 Sn 0.64867 0.96869 0.73397 1.00000
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