Sr2B10Pt
Alexandria ALEXAlex-ID: agm018007499 · 空间群: Pbam (#55)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C10_10_spg55
Sr3B2Pt7 SrB6 Sr(BPt3)2
2024-11-09 10:49:20.625382
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm018007499).
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 agm018007499
data_agm018007499
_cell_length_a 4.28361
_cell_length_b 5.82047
_cell_length_c 11.59559
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 289.10887
_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 0.00000 0.20179 0.36392 1.00000
Sr2 Sr 0.00000 0.79821 0.63608 1.00000
Sr3 Sr 0.00000 0.29821 0.86392 1.00000
Sr4 Sr 0.00000 0.70179 0.13608 1.00000
B1 B 0.50000 0.38096 0.04467 1.00000
B2 B 0.50000 0.61904 0.95533 1.00000
B3 B 0.50000 0.11904 0.54467 1.00000
B4 B 0.50000 0.88096 0.45533 1.00000
B5 B 0.50000 0.35561 0.19653 1.00000
B6 B 0.50000 0.64439 0.80347 1.00000
B7 B 0.50000 0.14439 0.69653 1.00000
B8 B 0.50000 0.85561 0.30347 1.00000
B9 B 0.50000 0.05369 0.19321 1.00000
B10 B 0.50000 0.94631 0.80679 1.00000
B11 B 0.50000 0.44631 0.69321 1.00000
B12 B 0.50000 0.55369 0.30679 1.00000
B13 B 0.79794 0.21537 0.11797 1.00000
B14 B 0.20206 0.78463 0.88203 1.00000
B15 B 0.79794 0.78463 0.88203 1.00000
B16 B 0.20206 0.28463 0.61797 1.00000
B17 B 0.20206 0.21537 0.11797 1.00000
B18 B 0.79794 0.71537 0.38203 1.00000
B19 B 0.20206 0.71537 0.38203 1.00000
B20 B 0.79794 0.28463 0.61797 1.00000
Pt1 Pt 0.50000 0.00000 0.00000 1.00000
Pt2 Pt 0.50000 0.50000 0.50000 1.00000
