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Eu5Bi3

Alexandria ALEX

Alex-ID: agm003220106 · 空间群: P6_3/mcm (#193)

Alexandria Database API

基础信息

化学式
Eu5Bi3
Alex-ID
agm003220106
元素数
2
位点数
16
空间群
P6_3/mcm (#193)
晶系
hexagonal
体积
573.31
ų
晶胞参数 a
9.5996
Å
晶胞参数 b
9.5996
Å
晶胞参数 c
7.1838
Å
α 角
90.00
°
β 角
90.00
°
γ 角
120.00
°

组成

元素组成（原子分数）
组成信息
化学式
Eu5Bi3
Eu
10.00 · 62.5%
Bi
6.00 · 37.5%

能量与稳定性

凸包上方能量
0.0000
eV/atom
形成能
-0.8437
eV/atom
校正后总能量
-139.5294
eV
原始总能量
-139.5294
eV

电子结构

间接带隙
0.0000
eV
直接带隙
0.0220
eV
费米能级态密度
120.8548
总磁矩
15.5288
μB

其他信息

原型 ID

A3B5_6_spg193

分解产物

Eu5Bi3

计算时间

2021-12-06 07:04:46.553699

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: agm003220106).

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 agm003220106
data_agm003220106
_cell_length_a     9.59956
_cell_length_b     9.59956
_cell_length_c     7.18382
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  119.99999
_cell_volume       573.30883
_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
  Eu1 Eu 0.66667 0.33333 0.50000 1.00000
  Eu2 Eu 0.33333 0.66667 0.50000 1.00000
  Eu3 Eu 0.33333 0.66667 0.00000 1.00000
  Eu4 Eu 0.66667 0.33333 0.00000 1.00000
  Eu5 Eu 0.74851 0.74851 0.25000 1.00000
  Eu6 Eu 0.25149 1.00000 0.25000 1.00000
  Eu7 Eu 1.00000 0.25149 0.25000 1.00000
  Eu8 Eu 0.25149 0.25149 0.75000 1.00000
  Eu9 Eu 0.74851 0.00000 0.75000 1.00000
  Eu10 Eu 0.00000 0.74851 0.75000 1.00000
  Bi1 Bi 0.38986 0.38986 0.25000 1.00000
  Bi2 Bi 0.61014 1.00000 0.25000 1.00000
  Bi3 Bi 1.00000 0.61014 0.25000 1.00000
  Bi4 Bi 0.61014 0.61014 0.75000 1.00000
  Bi5 Bi 0.38986 0.00000 0.75000 1.00000
  Bi6 Bi 0.00000 0.38986 0.75000 1.00000
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