Dy5(CdCo)2

Alexandria ALEX

Alex-ID: agm005564136 · 空间群: Cmce (#64)

Alexandria Database API

基础信息

化学式

Dy5(CdCo)2

Alex-ID

agm005564136

元素数

位点数

空间群

Cmce (#64)

晶系

orthorhombic

体积

437.37

Å³

晶胞参数 a

7.2236

晶胞参数 b

7.3549

晶胞参数 c

8.9896

α 角

90.00

β 角

66.31

γ 角

90.00

组成

元素组成（原子分数）

组成信息

化学式

Dy5(CdCo)2

10.00 · 55.6%

4.00 · 22.2%

能量与稳定性

凸包上方能量

0.0456

eV/atom

形成能

-0.2168

eV/atom

校正后总能量

-82.1290

原始总能量

-82.1290

电子结构

间接带隙

0.0000

直接带隙

0.0000

费米能级态密度

14.7103

总磁矩

0.0000

μB

其他信息

原型 ID

A2B2C5_59_spg64

分解产物

Dy9Cd5Co4 Dy2CdCo2 Dy4CdCo

计算时间

2023-06-02 13:38:08.612791

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: agm005564136).

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 agm005564136
data_agm005564136
_cell_length_a     7.22361
_cell_length_b     7.35495
_cell_length_c     8.98959
_cell_angle_alpha  90.00000
_cell_angle_beta   66.31070
_cell_angle_gamma  90.00000
_cell_volume       437.36596
_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 0.00000 0.00000 0.00000 1.00000
  Dy2 Dy 0.50000 0.50000 0.00000 1.00000
  Dy3 Dy 0.43240 0.18533 0.76408 1.00000
  Dy4 Dy 0.80353 0.81467 0.76408 1.00000
  Dy5 Dy 0.30353 0.68533 0.76408 1.00000
  Dy6 Dy 0.93240 0.31467 0.76408 1.00000
  Dy7 Dy 0.56760 0.81467 0.23592 1.00000
  Dy8 Dy 0.19647 0.18533 0.23592 1.00000
  Dy9 Dy 0.69647 0.31467 0.23592 1.00000
  Dy10 Dy 0.06760 0.68533 0.23592 1.00000
  Cd1 Cd 0.22523 0.00000 0.54954 1.00000
  Cd2 Cd 0.72523 0.50000 0.54954 1.00000
  Cd3 Cd 0.77477 0.00000 0.45046 1.00000
  Cd4 Cd 0.27477 0.50000 0.45046 1.00000
  Co1 Co 0.10790 0.38777 0.00000 1.00000
  Co2 Co 0.89210 0.61223 1.00000 1.00000
  Co3 Co 0.39210 0.88777 1.00000 1.00000
  Co4 Co 0.60790 0.11223 0.00000 1.00000

获取直接链接