Sr2BO4
Alexandria ALEXAlex-ID: agm096430451 · 空间群: Pm (#6)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C4_479_spg8
SrO3 Sr3O5 Sr3(BO3)2
2025-04-10 14:16:10
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm096430451).
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 agm096430451
data_agm096430451
_cell_length_a 3.44610
_cell_length_b 4.48149
_cell_length_c 7.45490
_cell_angle_alpha 89.74403
_cell_angle_beta 89.99683
_cell_angle_gamma 100.54853
_cell_volume 113.18416
_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 0.02812 0.37675 0.11146 1.00000
Sr2 Sr 0.02916 0.38089 0.60275 1.00000
B1 B 0.48120 0.83765 0.85721 1.00000
O1 O 0.54137 0.42124 0.35683 1.00000
O2 O 0.41626 0.96624 0.69373 1.00000
O3 O 0.41639 0.96338 0.02093 1.00000
O4 O 0.58751 0.55385 0.85709 1.00000
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