Ba2Sr2Ca5
Alexandria ALEXAlex-ID: agm009347010 · 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
A2B2C5_1064_spg12
Ba15Sr Sr Ca
2024-05-09 11:22:20.803512
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009347010).
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 agm009347010
data_agm009347010
_cell_length_a 9.16606
_cell_length_b 9.16606
_cell_length_c 9.23462
_cell_angle_alpha 72.96330
_cell_angle_beta 72.96330
_cell_angle_gamma 36.98010
_cell_volume 443.88017
_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 0.77991 0.77991 0.83295 1.00000
Ba2 Ba 0.22009 0.22009 0.16705 1.00000
Sr1 Sr 0.66024 0.66024 0.50232 1.00000
Sr2 Sr 0.33976 0.33976 0.49768 1.00000
Ca1 Ca 0.55015 0.55015 0.16083 1.00000
Ca2 Ca 0.44985 0.44985 0.83917 1.00000
Ca3 Ca 0.89752 0.89752 0.16831 1.00000
Ca4 Ca 0.10248 0.10248 0.83169 1.00000
Ca5 Ca 0.00000 0.00000 0.50000 1.00000
获取直接链接