Sr2B8Ru7
Alexandria ALEXAlex-ID: agm003242580 · 空间群: P4_2/m (#84)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B7C8_4_spg84
Sr2B8Ru7
2021-12-16 22:36:38.918761
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003242580).
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 agm003242580
data_agm003242580
_cell_length_a 6.47456
_cell_length_b 6.47456
_cell_length_c 10.23769
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 429.16328
_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 0.73266 0.89144 0.00000 1.00000
Sr2 Sr 0.10856 0.73266 0.50000 1.00000
Sr3 Sr 0.89144 0.26734 0.50000 1.00000
Sr4 Sr 0.26734 0.10856 0.00000 1.00000
B1 B 0.50000 0.00000 0.58828 1.00000
B2 B 0.50000 0.00000 0.41172 1.00000
B3 B 0.89755 0.27639 0.16951 1.00000
B4 B 0.10245 0.72361 0.83049 1.00000
B5 B 0.50000 0.50000 0.34098 1.00000
B6 B 0.50000 0.50000 0.84098 1.00000
B7 B 0.27639 0.10245 0.66951 1.00000
B8 B 0.10245 0.72361 0.16951 1.00000
B9 B 0.27639 0.10245 0.33049 1.00000
B10 B 0.89755 0.27639 0.83049 1.00000
B11 B 0.50000 0.50000 0.65902 1.00000
B12 B 0.50000 0.50000 0.15902 1.00000
B13 B 0.00000 0.50000 0.91172 1.00000
B14 B 0.72361 0.89755 0.66951 1.00000
B15 B 0.72361 0.89755 0.33049 1.00000
B16 B 0.00000 0.50000 0.08828 1.00000
Ru1 Ru 0.20594 0.39461 0.75621 1.00000
Ru2 Ru 0.40582 0.28689 0.50000 1.00000
Ru3 Ru 0.39461 0.79406 0.25621 1.00000
Ru4 Ru 0.20594 0.39461 0.24379 1.00000
Ru5 Ru 0.59418 0.71311 0.50000 1.00000
Ru6 Ru 0.60539 0.20594 0.74379 1.00000
Ru7 Ru 0.28689 0.59418 0.00000 1.00000
Ru8 Ru 0.71311 0.40582 0.00000 1.00000
Ru9 Ru 0.79406 0.60539 0.24379 1.00000
Ru10 Ru 0.79406 0.60539 0.75621 1.00000
Ru11 Ru 0.39461 0.79406 0.74379 1.00000
Ru12 Ru 0.00000 0.00000 0.25000 1.00000
Ru13 Ru 0.60539 0.20594 0.25621 1.00000
Ru14 Ru 0.00000 0.00000 0.75000 1.00000
