Li3(MgCd)2
Alexandria ALEXAlex-ID: agm011761892 · 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
A2B2C3_246_spg2
Li3(MgCd)2
2025-05-05 07:09:05
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011761892).
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}
}
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# CIF generated by HEAS from Alexandria entry agm011761892
data_agm011761892
_cell_length_a 5.57211
_cell_length_b 5.57211
_cell_length_c 5.61040
_cell_angle_alpha 85.96237
_cell_angle_beta 94.03763
_cell_angle_gamma 129.11362
_cell_volume 134.74505
_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 0.50000 0.50000 0.50000 1.00000
Li2 Li 0.36225 0.63775 0.91054 1.00000
Li3 Li 0.63775 0.36225 0.08946 1.00000
Mg1 Mg 0.08008 0.91992 0.78289 1.00000
Mg2 Mg 0.91992 0.08008 0.21711 1.00000
Cd1 Cd 0.22189 0.77811 0.33264 1.00000
Cd2 Cd 0.77811 0.22189 0.66736 1.00000
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