CsCdInSb2
Alexandria ALEXAlex-ID: agm018519476 · 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
ABCD2_101_spg12
CsCdSb InSb
2024-11-09 15:06:46.752284
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm018519476).
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 agm018519476
data_agm018519476
_cell_length_a 7.97772
_cell_length_b 7.97772
_cell_length_c 12.01973
_cell_angle_alpha 62.10799
_cell_angle_beta 62.10799
_cell_angle_gamma 34.78626
_cell_volume 380.39716
_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 0.17410 0.17410 0.34971 1.00000
Cs2 Cs 0.82590 0.82590 0.65029 1.00000
Cd1 Cd 0.63054 0.63054 0.08939 1.00000
Cd2 Cd 0.36946 0.36946 0.91061 1.00000
In1 In 0.95004 0.95004 0.19819 1.00000
In2 In 0.04996 0.04996 0.80181 1.00000
Sb1 Sb 0.54980 0.54980 0.66043 1.00000
Sb2 Sb 0.45020 0.45020 0.33957 1.00000
Sb3 Sb 0.16138 0.16138 0.93908 1.00000
Sb4 Sb 0.83862 0.83862 0.06092 1.00000
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