Ca7Mg2Cu3
Alexandria ALEXAlex-ID: agm101263003 · 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
A2B3C7_819_spg1
CaMg2 Ca2Cu
2025-05-17 01:05:33
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm101263003).
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 agm101263003
data_agm101263003
_cell_length_a 6.11215
_cell_length_b 6.11206
_cell_length_c 10.67618
_cell_angle_alpha 79.14085
_cell_angle_beta 79.20908
_cell_angle_gamma 63.09429
_cell_volume 346.92102
_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 0.73957 0.40665 0.52785 1.00000
Ca2 Ca 0.26656 0.93418 0.35877 1.00000
Ca3 Ca 0.62015 0.28826 0.21253 1.00000
Ca4 Ca 0.98096 0.64921 0.22860 1.00000
Ca5 Ca 0.35743 0.02353 0.70922 1.00000
Ca6 Ca 0.02254 0.68852 0.69984 1.00000
Ca7 Ca 0.65160 0.31523 0.87336 1.00000
Mg1 Mg 0.60223 0.79336 0.00838 1.00000
Mg2 Mg 0.12769 0.26967 0.00864 1.00000
Cu1 Cu 0.13884 0.80150 0.95452 1.00000
Cu2 Cu 0.70321 0.95776 0.45918 1.00000
Cu3 Cu 0.28922 0.37213 0.45911 1.00000
获取直接链接