Cd8Cu4Ge
Alexandria ALEXAlex-ID: agm097782003 · 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
AB4C8_1382_spg1
Cd Cu Ge
2025-06-13 20:17:59
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097782003).
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 agm097782003
data_agm097782003
_cell_length_a 3.22544
_cell_length_b 9.44970
_cell_length_c 9.49581
_cell_angle_alpha 60.96940
_cell_angle_beta 89.90273
_cell_angle_gamma 80.01661
_cell_volume 248.08754
_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 0.67872 0.33403 0.04785 1.00000
Cd2 Cd 0.48747 0.71309 0.22887 1.00000
Cd3 Cd 0.51039 0.67490 0.55928 1.00000
Cd4 Cd 0.30907 0.07695 0.68237 1.00000
Cd5 Cd 0.33195 0.03277 0.32398 1.00000
Cd6 Cd 0.70147 0.28999 0.38303 1.00000
Cd7 Cd 0.68463 0.32084 0.74169 1.00000
Cd8 Cd 0.49889 0.69656 0.86432 1.00000
Cu1 Cu 0.90398 0.88181 0.95919 1.00000
Cu2 Cu 0.08049 0.53162 0.13805 1.00000
Cu3 Cu 0.10427 0.48097 0.46720 1.00000
Cu4 Cu 0.89946 0.89638 0.59539 1.00000
Ge1 Ge 0.30921 0.07008 0.00878 1.00000
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