Cd3Sn5Ge
Alexandria ALEXAlex-ID: agm072806483 · 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
AB3C5_1184_spg12
Cd Sn Ge
2024-09-24 09:45:21.663559
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072806483).
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 agm072806483
data_agm072806483
_cell_length_a 7.30532
_cell_length_b 7.30532
_cell_length_c 7.61116
_cell_angle_alpha 75.51002
_cell_angle_beta 75.51002
_cell_angle_gamma 129.34021
_cell_volume 254.81907
_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 0.50000 0.00000 0.00000 1.00000
Cd2 Cd 0.00000 0.50000 0.00000 1.00000
Cd3 Cd 0.50000 0.50000 0.00000 1.00000
Sn1 Sn 0.00000 0.00000 0.00000 1.00000
Sn2 Sn 0.93839 0.63746 0.38520 1.00000
Sn3 Sn 0.06161 0.36254 0.61480 1.00000
Sn4 Sn 0.63746 0.93839 0.38520 1.00000
Sn5 Sn 0.36254 0.06161 0.61480 1.00000
Ge1 Ge 0.00000 0.00000 0.50000 1.00000
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