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EuCoGe

Alexandria ALEX

Alex-ID: agm002265041 · 空间群: C2/m (#12)

基础信息

化学式
EuCoGe
Alex-ID
agm002265041
元素数
3
位点数
6
空间群
C2/m (#12)
晶系
monoclinic
体积
124.79
ų
晶胞参数 a
4.1635
Å
晶胞参数 b
5.3744
Å
晶胞参数 c
6.0888
Å
α 角
102.13
°
β 角
109.99
°
γ 角
90.01
°

组成

元素组成(原子分数)
组成信息
化学式
EuCoGe
Eu
2.00 · 33.3%
Ge
2.00 · 33.3%
Co
2.00 · 33.3%

能量与稳定性

凸包上方能量
0.0556
eV/atom
形成能
-0.4246
eV/atom
校正后总能量
-46.5785
eV
原始总能量
-46.5785
eV

电子结构

间接带隙
0.0000
eV
直接带隙
0.0006
eV
费米能级态密度
16.6614
总磁矩
13.0959
μB

其他信息

原型 ID

ABC_3987_spg8

分解产物

Eu3(CoGe)4 Eu5Ge3 Co

计算时间

2023-03-25 01:25:02.302861

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: agm002265041).

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 agm002265041
data_agm002265041
_cell_length_a     4.16347
_cell_length_b     5.37442
_cell_length_c     6.08883
_cell_angle_alpha  102.12860
_cell_angle_beta   109.99247
_cell_angle_gamma  90.01226
_cell_volume       124.79150
_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 0.89177 0.18156 0.77753 1.00000
  Eu2 Eu 0.11589 0.81396 0.22568 1.00000
  Ge1 Ge 0.61551 0.30980 0.22506 1.00000
  Ge2 Ge 0.39218 0.68574 0.77815 1.00000
  Co1 Co 0.20724 0.38112 0.40844 1.00000
  Co2 Co 0.80057 0.61436 0.59484 1.00000
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