Li6Mg5Cd2
Alexandria ALEXAlex-ID: agm005654083 · 空间群: Pbam (#55)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B5C6_66_spg55
Li2MgCd Li3Cd Li3Mg5
2023-06-20 02:32:42.614754
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005654083).
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 agm005654083
data_agm005654083
_cell_length_a 3.08962
_cell_length_b 9.94334
_cell_length_c 17.61681
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 541.20808
_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
Li1 Li 0.00000 0.05364 0.35481 1.00000
Li2 Li 0.00000 0.94636 0.64519 1.00000
Li3 Li 0.00000 0.55364 0.14519 1.00000
Li4 Li 0.00000 0.44636 0.85481 1.00000
Li5 Li 0.50000 0.30653 0.12435 1.00000
Li6 Li 0.50000 0.69347 0.87565 1.00000
Li7 Li 0.50000 0.80653 0.37565 1.00000
Li8 Li 0.50000 0.19347 0.62435 1.00000
Li9 Li 0.00000 0.57681 0.43916 1.00000
Li10 Li 0.00000 0.42319 0.56084 1.00000
Li11 Li 0.00000 0.07681 0.06084 1.00000
Li12 Li 0.00000 0.92319 0.93916 1.00000
Mg1 Mg 0.50000 0.29845 0.42496 1.00000
Mg2 Mg 0.50000 0.70155 0.57504 1.00000
Mg3 Mg 0.50000 0.79845 0.07504 1.00000
Mg4 Mg 0.50000 0.20155 0.92496 1.00000
Mg5 Mg 0.50000 0.54747 0.29306 1.00000
Mg6 Mg 0.50000 0.45253 0.70694 1.00000
Mg7 Mg 0.50000 0.04747 0.20694 1.00000
Mg8 Mg 0.50000 0.95253 0.79306 1.00000
Mg9 Mg 0.50000 0.50000 0.00000 1.00000
Mg10 Mg 0.50000 0.00000 0.50000 1.00000
Cd1 Cd 0.00000 0.29437 0.26543 1.00000
Cd2 Cd 0.00000 0.70563 0.73457 1.00000
Cd3 Cd 0.00000 0.79437 0.23457 1.00000
Cd4 Cd 0.00000 0.20563 0.76543 1.00000
