SmScBiSb
Alexandria ALEXAlex-ID: agm005201250 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD_1545_spg166
Sc4BiSb3 Sm4Bi3Sb
2022-07-10 17:44:47.578395
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005201250).
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 agm005201250
data_agm005201250
_cell_length_a 5.23871
_cell_length_b 5.23871
_cell_length_c 11.73291
_cell_angle_alpha 77.10011
_cell_angle_beta 77.10011
_cell_angle_gamma 60.00000
_cell_volume 269.43405
_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
Sm1 Sm 0.61524 0.61524 0.15428 1.00000
Sm2 Sm 0.38476 0.38476 0.84572 1.00000
Sc1 Sc 0.79161 0.79161 0.62518 1.00000
Sc2 Sc 0.20839 0.20839 0.37482 1.00000
Bi1 Bi 0.11959 0.11959 0.64122 1.00000
Bi2 Bi 0.88041 0.88041 0.35878 1.00000
Sb1 Sb 0.70610 0.70610 0.88171 1.00000
Sb2 Sb 0.29390 0.29390 0.11829 1.00000
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