Ca3MgCu14
Alexandria ALEXAlex-ID: agm022354526 · 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
AB3C14_2_spg160
CaMg2Cu9 CaCu5 CaCu
2024-10-27 05:51:04.922698
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm022354526).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm022354526
data_agm022354526
_cell_length_a 12.52346
_cell_length_b 12.52346
_cell_length_c 12.52346
_cell_angle_alpha 23.74848
_cell_angle_beta 23.74848
_cell_angle_gamma 23.74848
_cell_volume 279.82412
_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
Ca1 Ca 0.05169 0.05169 0.05169 1.00000
Ca2 Ca 0.94342 0.94342 0.94342 1.00000
Ca3 Ca 0.15193 0.15193 0.15193 1.00000
Mg1 Mg 0.85157 0.85157 0.85157 1.00000
Cu1 Cu 0.27773 0.27773 0.27773 1.00000
Cu2 Cu 0.72227 0.72227 0.72227 1.00000
Cu3 Cu 0.38892 0.38892 0.38892 1.00000
Cu4 Cu 0.61179 0.61179 0.61179 1.00000
Cu5 Cu 0.61185 0.61185 0.10870 1.00000
Cu6 Cu 0.10870 0.61185 0.61185 1.00000
Cu7 Cu 0.61185 0.10870 0.61185 1.00000
Cu8 Cu 0.38927 0.38927 0.88931 1.00000
Cu9 Cu 0.88931 0.38927 0.38927 1.00000
Cu10 Cu 0.38927 0.88931 0.38927 1.00000
Cu11 Cu 0.00049 0.49971 0.49971 1.00000
Cu12 Cu 0.49971 0.00049 0.49971 1.00000
Cu13 Cu 0.49971 0.49971 0.00049 1.00000
Cu14 Cu 0.50062 0.50062 0.50062 1.00000
获取直接链接