Sr2B3C2
Alexandria ALEXAlex-ID: agm002199855 · 空间群: P2/m (#10)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C3_32_spg10
Sr(BC)2 SrB6 Sr
2018-06-29 17:54:47
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002199855).
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 agm002199855
data_agm002199855
_cell_length_a 3.99552
_cell_length_b 3.92067
_cell_length_c 7.26977
_cell_angle_alpha 90.00000
_cell_angle_beta 103.13325
_cell_angle_gamma 90.00000
_cell_volume 110.90301
_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 0.46133 0.50000 0.73901 1.00000
Sr2 Sr 0.53867 0.50000 0.26099 1.00000
C1 C 0.01270 0.00000 0.19906 1.00000
C2 C 0.98730 0.00000 0.80094 1.00000
B1 B 0.05860 0.00000 0.40319 1.00000
B2 B 0.00000 0.00000 0.00000 1.00000
B3 B 0.94140 0.00000 0.59681 1.00000
获取直接链接