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Dy2Co2Si5Ru

Alexandria ALEX

Alex-ID: agm040274580 · 空间群: C2/c (#15)

Alexandria Database API

基础信息

化学式
Dy2Co2Si5Ru
Alex-ID
agm040274580
元素数
4
位点数
20
空间群
C2/c (#15)
晶系
monoclinic
体积
306.82
ų
晶胞参数 a
7.9053
Å
晶胞参数 b
7.9053
Å
晶胞参数 c
5.6403
Å
α 角
70.42
°
β 角
70.42
°
γ 角
93.55
°

组成

元素组成（原子分数）
组成信息
化学式
Dy2Co2Si5Ru
Dy
4.00 · 20.0%
Co
4.00 · 20.0%
Si
10.00 · 50.0%
Ru
2.00 · 10.0%

能量与稳定性

凸包上方能量
0.0000
eV/atom
形成能
-0.8011
eV/atom
校正后总能量
-135.7143
eV
原始总能量
-135.7143
eV

电子结构

间接带隙
0.0000
eV
直接带隙
0.0092
eV
费米能级态密度
8.7675
总磁矩
0.0001
μB

其他信息

原型 ID

AB2C2D5_56_spg15

分解产物

Dy2Co2Si5Ru

计算时间

2024-09-25 04:09:14.741298

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: agm040274580).

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 agm040274580
data_agm040274580
_cell_length_a     7.90534
_cell_length_b     7.90534
_cell_length_c     5.64031
_cell_angle_alpha  70.42170
_cell_angle_beta   70.42170
_cell_angle_gamma  93.55157
_cell_volume       306.82091
_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
  Dy1 Dy 0.59874 0.86950 0.26146 1.00000
  Dy2 Dy 0.13050 0.40126 0.23854 1.00000
  Dy3 Dy 0.40126 0.13050 0.73854 1.00000
  Dy4 Dy 0.86950 0.59874 0.76146 1.00000
  Co1 Co 0.54272 0.26587 0.12374 1.00000
  Co2 Co 0.73413 0.45728 0.37626 1.00000
  Co3 Co 0.45728 0.73413 0.87626 1.00000
  Co4 Co 0.26587 0.54272 0.62374 1.00000
  Si1 Si 0.27080 0.06691 0.33090 1.00000
  Si2 Si 0.93309 0.72920 0.16910 1.00000
  Si3 Si 0.72920 0.93309 0.66910 1.00000
  Si4 Si 0.06691 0.27080 0.83090 1.00000
  Si5 Si 0.48830 0.51170 0.25000 1.00000
  Si6 Si 0.51170 0.48830 0.75000 1.00000
  Si7 Si 0.78310 0.21690 0.25000 1.00000
  Si8 Si 0.21690 0.78310 0.75000 1.00000
  Si9 Si 0.23122 0.76878 0.25000 1.00000
  Si10 Si 0.76878 0.23122 0.75000 1.00000
  Ru1 Ru 0.99673 0.00327 0.25000 1.00000
  Ru2 Ru 0.00327 0.99673 0.75000 1.00000
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