Sr2Al5B4
Alexandria ALEXAlex-ID: agm002137336 · 空间群: Fmmm (#69)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B4C5_20_spg69
Sr5Al9 SrAl4 SrB6
2018-06-10 21:14:16
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002137336).
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 agm002137336
data_agm002137336
_cell_length_a 5.49246
_cell_length_b 5.98433
_cell_length_c 6.57110
_cell_angle_alpha 78.78344
_cell_angle_beta 64.92046
_cell_angle_gamma 62.68366
_cell_volume 173.80635
_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 0.84588 0.00000 0.30937 1.00000
Sr2 Sr 0.15412 0.00000 0.69063 1.00000
B1 B 0.78515 0.69425 0.73407 1.00000
B2 B 0.21485 0.30575 0.26593 1.00000
B3 B 0.52060 0.69425 0.26593 1.00000
B4 B 0.47940 0.30575 0.73407 1.00000
Al1 Al 0.50000 0.00000 0.00000 1.00000
Al2 Al 0.00000 0.50000 0.00000 1.00000
Al3 Al 0.50000 0.50000 0.00000 1.00000
Al4 Al 0.25038 0.49924 0.50000 1.00000
Al5 Al 0.74962 0.50076 0.50000 1.00000
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