Cs3In6Sn5
Alexandria ALEXAlex-ID: agm005706581 · 空间群: Pmmn (#59)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B5C6_15_spg59
CsIn3Sn CsInSn Cs4In3Sn20
2023-06-30 12:01:51.818926
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005706581).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm005706581
data_agm005706581
_cell_length_a 5.01651
_cell_length_b 13.01178
_cell_length_c 15.24103
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 994.83752
_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
Cs1 Cs 0.00000 0.24729 0.64850 1.00000
Cs2 Cs 0.50000 0.75271 0.14850 1.00000
Cs3 Cs 0.50000 0.75271 0.85150 1.00000
Cs4 Cs 0.00000 0.24815 0.00000 1.00000
Cs5 Cs 0.50000 0.75185 0.50000 1.00000
Cs6 Cs 0.00000 0.24729 0.35150 1.00000
In1 In 1.00000 0.01100 0.83169 1.00000
In2 In 0.50000 0.98900 0.66831 1.00000
In3 In 0.50000 0.37594 0.81392 1.00000
In4 In 0.50000 0.50769 0.00000 1.00000
In5 In 1.00000 0.49231 0.50000 1.00000
In6 In 1.00000 0.62406 0.68608 1.00000
In7 In 1.00000 0.62406 0.31392 1.00000
In8 In 0.50000 0.02218 0.00000 1.00000
In9 In 1.00000 0.01100 0.16831 1.00000
In10 In 0.50000 0.37594 0.18608 1.00000
In11 In 0.00000 0.97782 0.50000 1.00000
In12 In 0.50000 0.98900 0.33169 1.00000
Sn1 Sn 0.00000 0.50173 0.85658 1.00000
Sn2 Sn 0.00000 0.85894 0.67624 1.00000
Sn3 Sn 1.00000 0.89114 0.00000 1.00000
Sn4 Sn 0.50000 0.49827 0.64342 1.00000
Sn5 Sn 0.50000 0.10886 0.50000 1.00000
Sn6 Sn 0.00000 0.50173 0.14342 1.00000
Sn7 Sn 0.50000 0.49827 0.35658 1.00000
Sn8 Sn 0.00000 0.85894 0.32376 1.00000
Sn9 Sn 0.50000 0.14106 0.82376 1.00000
Sn10 Sn 0.50000 0.14106 0.17624 1.00000
