LiSmBeSi2
Alexandria ALEXAlex-ID: agm005018906 · 空间群: I-4m2 (#119)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD2_1563_spg119
Li12Si7 Sm3(BeSi2)2 SmBe13 LiSi
2022-07-04 11:36:58.057894
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005018906).
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 agm005018906
data_agm005018906
_cell_length_a 4.04139
_cell_length_b 4.04139
_cell_length_c 5.73046
_cell_angle_alpha 110.64784
_cell_angle_beta 110.64784
_cell_angle_gamma 90.00000
_cell_volume 81.12614
_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 0.75000 0.50000 1.00000
Sm1 Sm 0.00000 0.00000 0.00000 1.00000
Be1 Be 0.75000 0.25000 0.50000 1.00000
Si1 Si 0.61926 0.61926 0.23852 1.00000
Si2 Si 0.38074 0.38074 0.76148 1.00000
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