Cs3(InSn)2
Alexandria ALEXAlex-ID: agm009864089 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C3_525_spg2
CsIn3 Cs2In3 CsSn
2024-03-26 19:30:01
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009864089).
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 agm009864089
data_agm009864089
_cell_length_a 11.87563
_cell_length_b 11.87563
_cell_length_c 11.87563
_cell_angle_alpha 156.18936
_cell_angle_beta 149.51456
_cell_angle_gamma 39.04578
_cell_volume 342.45883
_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 0.81200 0.81200 0.00000 1.00000
Cs2 Cs 0.00000 0.50000 0.50000 1.00000
Cs3 Cs 0.18800 0.18800 0.00000 1.00000
In1 In 0.56755 0.06755 0.50000 1.00000
In2 In 0.43245 0.93245 0.50000 1.00000
Sn1 Sn 0.63097 0.63097 0.00000 1.00000
Sn2 Sn 0.36903 0.36903 0.00000 1.00000
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