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Ce8BiSb5

Alexandria ALEX

Alex-ID: agm003682829 · 空间群: I-4 (#82)

Alexandria Database API

基础信息

化学式
Ce8BiSb5
Alex-ID
agm003682829
元素数
3
位点数
14
空间群
I-4 (#82)
晶系
tetragonal
体积
428.79
ų
晶胞参数 a
8.2279
Å
晶胞参数 b
8.2279
Å
晶胞参数 c
8.2279
Å
α 角
109.52
°
β 角
109.37
°
γ 角
109.52
°

组成

元素组成（原子分数）
组成信息
化学式
Ce8BiSb5
Ce
8.00 · 57.1%
Bi
1.00 · 7.1%
Sb
5.00 · 35.7%

能量与稳定性

凸包上方能量
0.0038
eV/atom
形成能
-0.8761
eV/atom
校正后总能量
-84.2293
eV
原始总能量
-84.2293
eV

电子结构

间接带隙
0.0000
eV
直接带隙
0.0000
eV
费米能级态密度
58.8388
总磁矩
11.8493
μB

其他信息

原型 ID

AB5C8_86_spg82

分解产物

Ce4Sb3 Ce2Sb CeBi

计算时间

2022-04-11 02:35:58.187053

引用参考

Alexandria 官方页面
https://alexandria.icams.rub.de/
参考引用

The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003682829).

文献引用

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

BibTeX 
@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...

样式: Ball & Stick
原始 CIF 数据 
# CIF generated by HEAS from Alexandria entry agm003682829
data_agm003682829
_cell_length_a     8.22793
_cell_length_b     8.22793
_cell_length_c     8.22793
_cell_angle_alpha  109.52213
_cell_angle_beta   109.36945
_cell_angle_gamma  109.52213
_cell_volume       428.79370
_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
  Ce1 Ce 0.12423 0.75646 0.02751 1.00000
  Ce2 Ce 0.97249 0.09671 0.72894 1.00000
  Ce3 Ce 0.76773 0.24625 0.36957 1.00000
  Ce4 Ce 0.63043 0.39815 0.87667 1.00000
  Ce5 Ce 0.47852 0.60185 0.23227 1.00000
  Ce6 Ce 0.63223 0.90329 0.87577 1.00000
  Ce7 Ce 0.27106 0.24354 0.36777 1.00000
  Ce8 Ce 0.12333 0.75375 0.52148 1.00000
  Bi1 Bi 0.25000 0.50000 0.75000 1.00000
  Sb1 Sb 0.00325 0.37838 0.12842 1.00000
  Sb2 Sb 0.87158 0.87483 0.24996 1.00000
  Sb3 Sb 0.75004 0.62162 0.62487 1.00000
  Sb4 Sb 0.50000 0.00000 0.50000 1.00000
  Sb5 Sb 0.37513 0.12517 0.99675 1.00000
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