Dy4InTc

Alexandria ALEX

Alex-ID: agm070313488 · 空间群: F-43m (#216)

Alexandria Database API

基础信息

化学式

Dy4InTc

Alex-ID

agm070313488

元素数

位点数

空间群

F-43m (#216)

晶系

cubic

体积

637.79

Å³

晶胞参数 a

9.6619

晶胞参数 b

9.6619

晶胞参数 c

9.6619

α 角

60.00

β 角

60.00

γ 角

60.00

组成

元素组成（原子分数）

组成信息

化学式

Dy4InTc

16.00 · 66.7%

4.00 · 16.7%

能量与稳定性

凸包上方能量

0.0150

eV/atom

形成能

-0.2332

eV/atom

校正后总能量

-131.7989

原始总能量

-131.7989

电子结构

间接带隙

0.0000

直接带隙

0.0000

费米能级态密度

28.2913

总磁矩

0.0000

μB

其他信息

原型 ID

ABC4_183_spg216

分解产物

Dy4InTc

计算时间

2025-01-19 11:01:03

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: agm070313488).

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 agm070313488
data_agm070313488
_cell_length_a     9.66192
_cell_length_b     9.66192
_cell_length_c     9.66192
_cell_angle_alpha  60.00000
_cell_angle_beta   60.00000
_cell_angle_gamma  60.00000
_cell_volume       637.78551
_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 0.09697 0.70909 0.09697 1.00000
  Dy2 Dy 0.70909 0.09697 0.09697 1.00000
  Dy3 Dy 0.09697 0.09697 0.09697 1.00000
  Dy4 Dy 0.09697 0.09697 0.70909 1.00000
  Dy5 Dy 0.94386 0.55614 0.55614 1.00000
  Dy6 Dy 0.55614 0.94386 0.94386 1.00000
  Dy7 Dy 0.94386 0.55614 0.94386 1.00000
  Dy8 Dy 0.55614 0.94386 0.55614 1.00000
  Dy9 Dy 0.55614 0.55614 0.94386 1.00000
  Dy10 Dy 0.94386 0.94386 0.55614 1.00000
  Dy11 Dy 0.30431 0.69569 0.69569 1.00000
  Dy12 Dy 0.69569 0.30431 0.30431 1.00000
  Dy13 Dy 0.30431 0.69569 0.30431 1.00000
  Dy14 Dy 0.69569 0.30431 0.69569 1.00000
  Dy15 Dy 0.69569 0.69569 0.30431 1.00000
  Dy16 Dy 0.30431 0.30431 0.69569 1.00000
  In1 In 0.33232 0.00304 0.33232 1.00000
  In2 In 0.00304 0.33232 0.33232 1.00000
  In3 In 0.33232 0.33232 0.33232 1.00000
  In4 In 0.33232 0.33232 0.00304 1.00000
  Tc1 Tc 0.88463 0.34610 0.88463 1.00000
  Tc2 Tc 0.34610 0.88463 0.88463 1.00000
  Tc3 Tc 0.88463 0.88463 0.88463 1.00000
  Tc4 Tc 0.88463 0.88463 0.34610 1.00000

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