Li4Mg8Pd
Alexandria ALEXAlex-ID: agm097735110 · 空间群: Imm2 (#44)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C8_1604_spg8
LiMg3Pd Li3Mg5
2025-06-16 10:43:22
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097735110).
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 agm097735110
data_agm097735110
_cell_length_a 3.21910
_cell_length_b 9.99391
_cell_length_c 9.69390
_cell_angle_alpha 60.95181
_cell_angle_beta 89.99424
_cell_angle_gamma 81.23443
_cell_volume 268.46573
_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 0.03667 0.16209 0.91801 1.00000
Li2 Li 0.89120 0.45048 0.02567 1.00000
Li3 Li 0.89183 0.44864 0.52575 1.00000
Li4 Li 0.09823 0.02694 0.48597 1.00000
Mg1 Mg 0.55536 0.12547 0.17719 1.00000
Mg2 Mg 0.80429 0.62114 0.19084 1.00000
Mg3 Mg 0.74588 0.73749 0.63099 1.00000
Mg4 Mg 0.55519 0.12408 0.69642 1.00000
Mg5 Mg 0.21014 0.81243 0.31015 1.00000
Mg6 Mg 0.44807 0.32179 0.33871 1.00000
Mg7 Mg 0.39827 0.43300 0.78418 1.00000
Mg8 Mg 0.21106 0.81071 0.87907 1.00000
Pd1 Pd 0.65381 0.92573 0.03706 1.00000
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