Sr3BiSb
Alexandria ALEXAlex-ID: agm005754234 · 空间群: P2_1/c (#14)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC3_2230_spg14
Sr3BiSb
2023-07-05 21:21:23.321219
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005754234).
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 agm005754234
data_agm005754234
_cell_length_a 9.28380
_cell_length_b 9.02739
_cell_length_c 9.72098
_cell_angle_alpha 90.00001
_cell_angle_beta 80.74745
_cell_angle_gamma 89.99983
_cell_volume 804.10009
_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 0.40938 0.11027 0.77579 1.00000
Sr2 Sr 0.59062 0.88973 0.22421 1.00000
Sr3 Sr 0.09062 0.61027 0.22421 1.00000
Sr4 Sr 0.90938 0.38973 0.77579 1.00000
Sr5 Sr 0.51508 0.70036 0.87689 1.00000
Sr6 Sr 0.48492 0.29964 0.12311 1.00000
Sr7 Sr 0.98492 0.20036 0.12311 1.00000
Sr8 Sr 0.01508 0.79964 0.87689 1.00000
Sr9 Sr 0.78014 0.01148 0.56146 1.00000
Sr10 Sr 0.21986 0.98852 0.43854 1.00000
Sr11 Sr 0.71986 0.51148 0.43854 1.00000
Sr12 Sr 0.28014 0.48852 0.56146 1.00000
Bi1 Bi 0.73574 0.06832 0.91496 1.00000
Bi2 Bi 0.26426 0.93168 0.08504 1.00000
Bi3 Bi 0.76426 0.56832 0.08504 1.00000
Bi4 Bi 0.23574 0.43168 0.91496 1.00000
Sb1 Sb 0.48490 0.78684 0.55976 1.00000
Sb2 Sb 0.51510 0.21316 0.44024 1.00000
Sb3 Sb 0.01510 0.28684 0.44024 1.00000
Sb4 Sb 0.98490 0.71316 0.55976 1.00000
