Li10Mg4Ag
Alexandria ALEXAlex-ID: agm005999701 · 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
AB4C10_74_spg12
Li3Mg Li3Ag LiMg2Ag
2023-08-08 08:26:51.417351
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005999701).
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 agm005999701
data_agm005999701
_cell_length_a 10.44615
_cell_length_b 7.25341
_cell_length_c 7.89569
_cell_angle_alpha 51.04817
_cell_angle_beta 48.58491
_cell_angle_gamma 43.93846
_cell_volume 297.67960
_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 0.35437 0.50000 0.50000 1.00000
Li2 Li 0.77071 0.42843 0.75589 1.00000
Li3 Li 0.09536 0.08940 0.21728 1.00000
Li4 Li 0.40204 0.91060 0.78272 1.00000
Li5 Li 0.95504 0.57157 0.24411 1.00000
Li6 Li 0.22929 0.57157 0.24411 1.00000
Li7 Li 0.64563 0.50000 0.50000 1.00000
Li8 Li 0.04496 0.42843 0.75589 1.00000
Li9 Li 0.59796 0.08940 0.21728 1.00000
Li10 Li 0.90464 0.91060 0.78272 1.00000
Mg1 Mg 0.62329 0.67454 0.07888 1.00000
Mg2 Mg 0.76128 0.98099 0.49646 1.00000
Mg3 Mg 0.23872 0.01901 0.50354 1.00000
Mg4 Mg 0.37671 0.32546 0.92112 1.00000
Ag1 Ag 0.00000 0.00000 0.00000 1.00000
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