BaSr4
Alexandria ALEXAlex-ID: agm010170779 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4_552_spg121
Ba15Sr Sr
2024-05-05 18:09:03.224787
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010170779).
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 agm010170779
data_agm010170779
_cell_length_a 10.62863
_cell_length_b 10.62863
_cell_length_c 10.62863
_cell_angle_alpha 157.38081
_cell_angle_beta 141.88989
_cell_angle_gamma 44.77260
_cell_volume 284.32508
_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 0.00000 0.50000 0.50000 1.00000
Sr1 Sr 0.20896 0.20896 0.00000 1.00000
Sr2 Sr 0.79104 0.79104 0.00000 1.00000
Sr3 Sr 0.39942 0.89942 0.50000 1.00000
Sr4 Sr 0.60058 0.10058 0.50000 1.00000
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