Eu2Ni5B4

Alexandria ALEX

Alex-ID: agm002138237 · 空间群: C2/m (#12)

Alexandria Database API

基础信息

化学式

Eu2Ni5B4

Alex-ID

agm002138237

元素数

位点数

空间群

C2/m (#12)

晶系

monoclinic

体积

137.79

Å³

晶胞参数 a

5.0571

晶胞参数 b

5.5222

晶胞参数 c

6.1797

α 角

70.73

β 角

65.83

γ 角

62.75

组成

元素组成（原子分数）

组成信息

化学式

Eu2Ni5B4

2.00 · 18.2%

5.00 · 45.5%

4.00 · 36.4%

能量与稳定性

凸包上方能量

0.0000

eV/atom

形成能

-0.3648

eV/atom

校正后总能量

-80.1908

原始总能量

-80.1908

电子结构

间接带隙

0.0000

直接带隙

0.0016

费米能级态密度

20.8101

总磁矩

13.5832

μB

其他信息

原型 ID

A2B4C5_151_spg12

分解产物

Eu2Ni5B4

计算时间

2023-03-24 08:15:41.266488

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: agm002138237).

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 | 拖拽旋转 · 滚轮缩放 · 右键平移

原始 CIF 数据

# CIF generated by HEAS from Alexandria entry agm002138237
data_agm002138237
_cell_length_a     5.05713
_cell_length_b     5.52225
_cell_length_c     6.17970
_cell_angle_alpha  70.72873
_cell_angle_beta   65.83387
_cell_angle_gamma  62.74547
_cell_volume       137.79467
_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 0.27861 0.80912 0.63370 1.00000
  Eu2 Eu 0.72139 0.19088 0.36630 1.00000
  Ni1 Ni 0.16779 0.28065 0.87938 1.00000
  Ni2 Ni 0.83221 0.71935 0.12062 1.00000
  Ni3 Ni 0.00000 0.50000 0.50000 1.00000
  Ni4 Ni 0.67184 0.28085 0.87933 1.00000
  Ni5 Ni 0.32816 0.71915 0.12067 1.00000
  B1 B 0.40392 0.05607 0.13586 1.00000
  B2 B 0.59608 0.94393 0.86414 1.00000
  B3 B 0.77838 0.61066 0.83268 1.00000
  B4 B 0.22162 0.38934 0.16732 1.00000

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