In2Ag7Sn2
Alexandria ALEXAlex-ID: agm003326331 · 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
A2B2C7_240_spg12
In2Ag5 InAg7 Sn
2023-03-24 01:59:30.565044
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003326331).
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 agm003326331
data_agm003326331
_cell_length_a 7.60480
_cell_length_b 6.09141
_cell_length_c 6.09141
_cell_angle_alpha 122.23996
_cell_angle_beta 94.91271
_cell_angle_gamma 94.91271
_cell_volume 234.89059
_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
In1 In 0.50000 0.23712 0.76288 1.00000
In2 In 0.50000 0.76288 0.23712 1.00000
Ag1 Ag 0.16337 0.95786 0.40836 1.00000
Ag2 Ag 0.83663 0.59164 0.04214 1.00000
Ag3 Ag 0.83663 0.04214 0.59164 1.00000
Ag4 Ag 0.16337 0.40836 0.95786 1.00000
Ag5 Ag 0.00000 0.00000 0.00000 1.00000
Ag6 Ag 0.60879 0.80759 0.80759 1.00000
Ag7 Ag 0.39121 0.19241 0.19241 1.00000
Sn1 Sn 0.78783 0.39766 0.39766 1.00000
Sn2 Sn 0.21217 0.60234 0.60234 1.00000
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