Li(Mg3Cd)2
Alexandria ALEXAlex-ID: agm005649727 · 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
AB2C6_1347_spg12
Mg3Cd LiMg2Cd Mg
2023-07-08 13:54:26.527126
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005649727).
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 agm005649727
data_agm005649727
_cell_length_a 5.58199
_cell_length_b 9.04479
_cell_length_c 9.04479
_cell_angle_alpha 120.35267
_cell_angle_beta 91.81992
_cell_angle_gamma 91.81990
_cell_volume 393.25574
_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 0.25000 0.24986 0.75014 1.00000
Li2 Li 0.75000 0.75014 0.24986 1.00000
Mg1 Mg 0.50720 0.66949 0.49785 1.00000
Mg2 Mg 0.99280 0.50215 0.33051 1.00000
Mg3 Mg 0.49280 0.33051 0.50215 1.00000
Mg4 Mg 0.00720 0.49785 0.66949 1.00000
Mg5 Mg 0.24346 0.92038 0.42026 1.00000
Mg6 Mg 0.25654 0.57974 0.07962 1.00000
Mg7 Mg 0.75654 0.07962 0.57974 1.00000
Mg8 Mg 0.74346 0.42026 0.92038 1.00000
Mg9 Mg 0.99292 0.83058 0.00209 1.00000
Mg10 Mg 0.50708 0.99791 0.16942 1.00000
Mg11 Mg 0.00708 0.16942 0.99791 1.00000
Mg12 Mg 0.49292 0.00209 0.83058 1.00000
Cd1 Cd 0.50014 0.66238 0.83751 1.00000
Cd2 Cd 0.99986 0.16249 0.33762 1.00000
Cd3 Cd 0.49986 0.33762 0.16249 1.00000
Cd4 Cd 0.00014 0.83751 0.66238 1.00000
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