CdSn3Bi5
Alexandria ALEXAlex-ID: agm072274491 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C5_1100_spg1
Cd Sn Bi
2024-09-23 21:59:55.929042
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072274491).
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 agm072274491
data_agm072274491
_cell_length_a 6.76502
_cell_length_b 6.76502
_cell_length_c 8.23443
_cell_angle_alpha 69.05211
_cell_angle_beta 69.05211
_cell_angle_gamma 62.06890
_cell_volume 302.58651
_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 0.85310 0.85310 0.17201 1.00000
Sn1 Sn 0.95076 0.95076 0.48978 1.00000
Sn2 Sn 0.44252 0.00611 0.48027 1.00000
Sn3 Sn 0.00611 0.44252 0.48027 1.00000
Bi1 Bi 0.48317 0.48317 0.46276 1.00000
Bi2 Bi 0.90354 0.37775 0.10835 1.00000
Bi3 Bi 0.27018 0.72167 0.84730 1.00000
Bi4 Bi 0.37775 0.90354 0.10835 1.00000
Bi5 Bi 0.72167 0.27018 0.84730 1.00000
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