Sr5Be
Alexandria ALEXAlex-ID: agm005448669 · 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
AB5_469_spg8
SrBe13 Sr
2023-03-19 05:53:00.447333
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005448669).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm005448669
data_agm005448669
_cell_length_a 7.36563
_cell_length_b 7.36563
_cell_length_c 10.04313
_cell_angle_alpha 67.91088
_cell_angle_beta 67.91088
_cell_angle_gamma 32.37248
_cell_volume 268.43685
_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 0.30370 0.30370 0.33399 1.00000
Sr2 Sr 0.64033 0.64033 0.77778 1.00000
Sr3 Sr 0.59397 0.59397 0.17725 1.00000
Sr4 Sr 0.97208 0.97208 0.55611 1.00000
Sr5 Sr 0.34982 0.34982 0.93471 1.00000
Be1 Be 0.97343 0.97343 0.05349 1.00000
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