Cs3(InSb)4
Alexandria ALEXAlex-ID: agm009777735 · 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
A3B4C4_136_spg12
Cs3In3Sb4 In
2024-03-27 03:27:37
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009777735).
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
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# CIF generated by HEAS from Alexandria entry agm009777735
data_agm009777735
_cell_length_a 14.87479
_cell_length_b 14.87479
_cell_length_c 6.07601
_cell_angle_alpha 80.77081
_cell_angle_beta 80.77081
_cell_angle_gamma 19.32388
_cell_volume 438.93687
_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 0.64592 0.64592 0.40700 1.00000
Cs2 Cs 0.35408 0.35408 0.59300 1.00000
Cs3 Cs 0.00000 0.00000 0.50000 1.00000
In1 In 0.09649 0.09649 0.03194 1.00000
In2 In 0.24275 0.24275 0.25070 1.00000
In3 In 0.75725 0.75725 0.74930 1.00000
In4 In 0.90351 0.90351 0.96806 1.00000
Sb1 Sb 0.54752 0.54752 0.89908 1.00000
Sb2 Sb 0.45248 0.45248 0.10092 1.00000
Sb3 Sb 0.80192 0.80192 0.19238 1.00000
Sb4 Sb 0.19808 0.19808 0.80762 1.00000
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