Dy8Al4Ag

Alexandria ALEX

Alex-ID: agm097632101 · 空间群: Cm (#8)

Alexandria Database API

基础信息

化学式

Dy8Al4Ag

Alex-ID

agm097632101

元素数

位点数

空间群

Cm (#8)

晶系

monoclinic

体积

343.37

Å³

晶胞参数 a

3.5085

晶胞参数 b

10.4322

晶胞参数 c

9.9725

α 角

73.15

β 角

100.15

γ 角

90.00

组成

元素组成（原子分数）

组成信息

化学式

Dy8Al4Ag

8.00 · 61.5%

4.00 · 30.8%

1.00 · 7.7%

能量与稳定性

凸包上方能量

0.1246

eV/atom

形成能

-0.1892

eV/atom

校正后总能量

-57.1232

原始总能量

-57.1232

电子结构

间接带隙

0.0000

直接带隙

0.0000

费米能级态密度

11.0827

总磁矩

0.0000

μB

其他信息

原型 ID

AB4C8_1853_spg8

分解产物

DyAl Dy2Al DyAg

计算时间

2025-06-02 04:21:33

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: agm097632101).

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 agm097632101
data_agm097632101
_cell_length_a     3.50845
_cell_length_b     10.43224
_cell_length_c     9.97247
_cell_angle_alpha  73.15028
_cell_angle_beta   100.14500
_cell_angle_gamma  90.00417
_cell_volume       343.36702
_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 0.71958 0.21163 0.20840 1.00000
  Dy2 Dy 0.64148 0.71572 0.05426 1.00000
  Dy3 Dy 0.48940 0.58791 0.74818 1.00000
  Dy4 Dy 0.40203 0.21137 0.57165 1.00000
  Dy5 Dy 0.81638 0.75237 0.40237 1.00000
  Dy6 Dy 0.27231 0.49085 0.31640 1.00000
  Dy7 Dy 0.05291 0.24590 0.87362 1.00000
  Dy8 Dy 0.96919 0.90897 0.70681 1.00000
  Al1 Al 0.19363 0.96026 0.15584 1.00000
  Al2 Al 0.12795 0.46020 0.02561 1.00000
  Al3 Al 0.90678 0.45443 0.58381 1.00000
  Al4 Al 0.32888 0.99073 0.42680 1.00000
  Ag1 Ag 0.57949 0.00965 0.92623 1.00000

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