Ba2Sr9
Alexandria ALEXAlex-ID: agm029623947 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B9_44_spg12
Ba15Sr Sr
2024-11-09 01:25:49.903752
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm029623947).
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 agm029623947
data_agm029623947
_cell_length_a 7.44215
_cell_length_b 9.59644
_cell_length_c 9.62012
_cell_angle_alpha 107.36107
_cell_angle_beta 105.01813
_cell_angle_gamma 97.45550
_cell_volume 617.16695
_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 0.36396 0.27024 0.95530 1.00000
Ba2 Ba 0.63604 0.72976 0.04470 1.00000
Sr1 Sr 0.27235 0.45380 0.58707 1.00000
Sr2 Sr 0.72765 0.54620 0.41293 1.00000
Sr3 Sr 0.54732 0.90876 0.67834 1.00000
Sr4 Sr 0.45268 0.09124 0.32166 1.00000
Sr5 Sr 0.91052 0.18330 0.13924 1.00000
Sr6 Sr 0.08948 0.81670 0.86076 1.00000
Sr7 Sr 0.00000 0.00000 0.50000 1.00000
Sr8 Sr 0.17981 0.63710 0.23026 1.00000
Sr9 Sr 0.82019 0.36290 0.76974 1.00000
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