CdSn4Sb5
Alexandria ALEXAlex-ID: agm006123797 · 空间群: R3m (#160)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C5_30_spg160
Sn4Sb3 CdSnSb2 Sb
2023-10-10 21:05:00
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006123797).
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 agm006123797
data_agm006123797
_cell_length_a 4.56814
_cell_length_b 4.56814
_cell_length_c 21.42479
_cell_angle_alpha 83.88014
_cell_angle_beta 83.88014
_cell_angle_gamma 60.00000
_cell_volume 384.24688
_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
Cd1 Cd 0.94835 0.94835 0.15495 1.00000
Sn1 Sn 0.55872 0.55872 0.32383 1.00000
Sn2 Sn 0.15328 0.15328 0.54017 1.00000
Sn3 Sn 0.74748 0.74748 0.75755 1.00000
Sn4 Sn 0.34721 0.34721 0.95837 1.00000
Sb1 Sb 0.99428 0.99428 0.01715 1.00000
Sb2 Sb 0.60304 0.60304 0.19088 1.00000
Sb3 Sb 0.20544 0.20544 0.38369 1.00000
Sb4 Sb 0.79931 0.79931 0.60206 1.00000
Sb5 Sb 0.39288 0.39288 0.82135 1.00000
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