Sr3Be4
Alexandria ALEXAlex-ID: agm005486589 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B4_122_spg139
SrBe13 Sr
2023-03-19 09:41:44.826833
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005486589).
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 agm005486589
data_agm005486589
_cell_length_a 14.71483
_cell_length_b 14.71483
_cell_length_c 14.71483
_cell_angle_alpha 167.25740
_cell_angle_beta 167.25740
_cell_angle_gamma 18.05829
_cell_volume 154.99952
_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
Sr1 Sr 0.00000 0.00000 0.00000 1.00000
Sr2 Sr 0.68719 0.68719 0.00000 1.00000
Sr3 Sr 0.31281 0.31281 0.00000 1.00000
Be1 Be 0.89417 0.89417 0.00000 1.00000
Be2 Be 0.10583 0.10583 0.00000 1.00000
Be3 Be 0.58184 0.58184 0.00000 1.00000
Be4 Be 0.41816 0.41816 0.00000 1.00000
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