BaSrGa
Alexandria ALEXAlex-ID: agm017135469 · 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
ABC_25_spg12
Ba4Ga Ba Sr8Ga7
2025-04-14 10:37:56
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017135469).
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 agm017135469
data_agm017135469
_cell_length_a 9.04509
_cell_length_b 9.04509
_cell_length_c 6.74906
_cell_angle_alpha 79.57485
_cell_angle_beta 100.42515
_cell_angle_gamma 150.95764
_cell_volume 263.32737
_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
Ba1 Ba 0.58569 0.41431 0.78788 1.00000
Ba2 Ba 0.41431 0.58569 0.21212 1.00000
Sr1 Sr 0.83324 0.16676 0.68121 1.00000
Sr2 Sr 0.16676 0.83324 0.31879 1.00000
Ga1 Ga 0.76593 0.23407 0.11843 1.00000
Ga2 Ga 0.23407 0.76593 0.88157 1.00000
获取直接链接