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Sr2Ho(CoGe)6

Alexandria ALEX

Alex-ID: agm020441815 · 空间群: I4/mmm (#139)

Alexandria Database API

基础信息

化学式
Sr2Ho(CoGe)6
Alex-ID
agm020441815
元素数
4
位点数
15
空间群
I4/mmm (#139)
晶系
tetragonal
体积
256.22
ų
晶胞参数 a
16.2008
Å
晶胞参数 b
16.2008
Å
晶胞参数 c
16.2008
Å
α 角
165.79
°
β 角
165.79
°
γ 角
20.15
°

组成

元素组成（原子分数）
组成信息
化学式
Sr2Ho(CoGe)6
Sr
2.00 · 13.3%
Ho
1.00 · 6.7%
Co
6.00 · 40.0%
Ge
6.00 · 40.0%

能量与稳定性

凸包上方能量
0.0058
eV/atom
形成能
-0.4760
eV/atom
校正后总能量
-85.5448
eV
原始总能量
-85.5448
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
8.6392
总磁矩
0.0000
μB

其他信息

原型 ID

AB2C6D6_22_spg139

分解产物

Ho(CoGe)2 Sr(CoGe)2

计算时间

2025-01-22 12:33:52

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: agm020441815).

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 agm020441815
data_agm020441815
_cell_length_a     16.20078
_cell_length_b     16.20078
_cell_length_c     16.20078
_cell_angle_alpha  165.78940
_cell_angle_beta   165.78940
_cell_angle_gamma  20.14901
_cell_volume       256.21893
_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
  Sr1 Sr 0.33612 0.33612 0.00000 1.00000
  Sr2 Sr 0.66388 0.66388 0.00000 1.00000
  Ho1 Ho 0.00000 0.00000 0.00000 1.00000
  Co1 Co 0.92222 0.42222 0.50000 1.00000
  Co2 Co 0.25000 0.75000 0.50000 1.00000
  Co3 Co 0.57778 0.07778 0.50000 1.00000
  Co4 Co 0.42222 0.92222 0.50000 1.00000
  Co5 Co 0.75000 0.25000 0.50000 1.00000
  Co6 Co 0.07778 0.57778 0.50000 1.00000
  Ge1 Ge 0.45976 0.45976 0.00000 1.00000
  Ge2 Ge 0.78790 0.78790 0.00000 1.00000
  Ge3 Ge 0.11594 0.11594 0.00000 1.00000
  Ge4 Ge 0.88406 0.88406 0.00000 1.00000
  Ge5 Ge 0.21210 0.21210 0.00000 1.00000
  Ge6 Ge 0.54024 0.54024 0.00000 1.00000
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