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Dy26Sn7Rh10

Alexandria ALEX

Alex-ID: agm009697211 · 空间群: P4/mbm (#127)

Alexandria Database API

基础信息

化学式
Dy26Sn7Rh10
Alex-ID
agm009697211
元素数
3
位点数
86
空间群
P4/mbm (#127)
晶系
tetragonal
体积
2,162.18
ų
晶胞参数 a
11.7826
Å
晶胞参数 b
11.7826
Å
晶胞参数 c
15.5744
Å
α 角
90.00
°
β 角
90.00
°
γ 角
90.00
°

组成

元素组成（原子分数）
组成信息
化学式
Dy26Sn7Rh10
Dy
52.00 · 60.5%
Sn
14.00 · 16.3%
Rh
20.00 · 23.3%

能量与稳定性

凸包上方能量
0.0062
eV/atom
形成能
-0.7516
eV/atom
校正后总能量
-507.0996
eV
原始总能量
-507.0996
eV

电子结构

间接带隙
0.0000
eV
直接带隙
0.0002
eV
费米能级态密度
70.1915
总磁矩
3.3930
μB

其他信息

原型 ID

A7B10C26_0_spg127

分解产物

Dy5Rh3 Dy5Sn3 DyRh

计算时间

2025-02-22 12:52:39

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: agm009697211).

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 agm009697211
data_agm009697211
_cell_length_a     11.78257
_cell_length_b     11.78257
_cell_length_c     15.57442
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       2162.18040
_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 0.57885 0.70659 0.88303 1.00000
  Dy2 Dy 0.42115 0.29341 0.88303 1.00000
  Dy3 Dy 0.92115 0.20659 0.88303 1.00000
  Dy4 Dy 0.07885 0.79341 0.88303 1.00000
  Dy5 Dy 0.70659 0.42115 0.88303 1.00000
  Dy6 Dy 0.29341 0.57885 0.88303 1.00000
  Dy7 Dy 0.20659 0.07885 0.88303 1.00000
  Dy8 Dy 0.79341 0.92115 0.88303 1.00000
  Dy9 Dy 0.42115 0.29341 0.11697 1.00000
  Dy10 Dy 0.57885 0.70659 0.11697 1.00000
  Dy11 Dy 0.07885 0.79341 0.11697 1.00000
  Dy12 Dy 0.92115 0.20659 0.11697 1.00000
  Dy13 Dy 0.29341 0.57885 0.11697 1.00000
  Dy14 Dy 0.70659 0.42115 0.11697 1.00000
  Dy15 Dy 0.79341 0.92115 0.11697 1.00000
  Dy16 Dy 0.20659 0.07885 0.11697 1.00000
  Dy17 Dy 0.70217 0.57508 0.69059 1.00000
  Dy18 Dy 0.29783 0.42492 0.69059 1.00000
  Dy19 Dy 0.79783 0.07508 0.69059 1.00000
  Dy20 Dy 0.20217 0.92492 0.69059 1.00000
  Dy21 Dy 0.57508 0.29783 0.69059 1.00000
  Dy22 Dy 0.42492 0.70217 0.69059 1.00000
  Dy23 Dy 0.07508 0.20217 0.69059 1.00000
  Dy24 Dy 0.92492 0.79783 0.69059 1.00000
  Dy25 Dy 0.29783 0.42492 0.30941 1.00000
  Dy26 Dy 0.70217 0.57508 0.30941 1.00000
  Dy27 Dy 0.20217 0.92492 0.30941 1.00000
  Dy28 Dy 0.79783 0.07508 0.30941 1.00000
  Dy29 Dy 0.42492 0.70217 0.30941 1.00000
  Dy30 Dy 0.57508 0.29783 0.30941 1.00000
  Dy31 Dy 0.92492 0.79783 0.30941 1.00000
  Dy32 Dy 0.07508 0.20217 0.30941 1.00000
  Dy33 Dy 0.57742 0.70219 0.50000 1.00000
  Dy34 Dy 0.42258 0.29781 0.50000 1.00000
  Dy35 Dy 0.92258 0.20219 0.50000 1.00000
  Dy36 Dy 0.07742 0.79781 0.50000 1.00000
  Dy37 Dy 0.70219 0.42258 0.50000 1.00000
  Dy38 Dy 0.29781 0.57742 0.50000 1.00000
  Dy39 Dy 0.20219 0.07742 0.50000 1.00000
  Dy40 Dy 0.79781 0.92258 0.50000 1.00000
  Dy41 Dy 0.34804 0.84804 0.00000 1.00000
  Dy42 Dy 0.65196 0.15196 0.00000 1.00000
  Dy43 Dy 0.15196 0.34804 0.00000 1.00000
  Dy44 Dy 0.84804 0.65196 0.00000 1.00000
  Dy45 Dy 0.00000 0.50000 0.60708 1.00000
  Dy46 Dy 0.50000 0.00000 0.60708 1.00000
  Dy47 Dy 0.00000 0.50000 0.39292 1.00000
  Dy48 Dy 0.50000 0.00000 0.39292 1.00000
  Dy49 Dy 0.00000 0.50000 0.84144 1.00000
  Dy50 Dy 0.50000 0.00000 0.84144 1.00000
  Dy51 Dy 0.00000 0.50000 0.15856 1.00000
  Dy52 Dy 0.50000 0.00000 0.15856 1.00000
  Sn1 Sn 0.15995 0.65995 0.70161 1.00000
  Sn2 Sn 0.84005 0.34005 0.70161 1.00000
  Sn3 Sn 0.34005 0.15995 0.70161 1.00000
  Sn4 Sn 0.65995 0.84005 0.70161 1.00000
  Sn5 Sn 0.84005 0.34005 0.29839 1.00000
  Sn6 Sn 0.15995 0.65995 0.29839 1.00000
  Sn7 Sn 0.65995 0.84005 0.29839 1.00000
  Sn8 Sn 0.34005 0.15995 0.29839 1.00000
  Sn9 Sn 0.34309 0.84309 0.50000 1.00000
  Sn10 Sn 0.65691 0.15691 0.50000 1.00000
  Sn11 Sn 0.15691 0.34309 0.50000 1.00000
  Sn12 Sn 0.84309 0.65691 0.50000 1.00000
  Sn13 Sn 0.50000 0.50000 0.00000 1.00000
  Sn14 Sn 0.00000 0.00000 0.00000 1.00000
  Rh1 Rh 0.31206 0.81206 0.82583 1.00000
  Rh2 Rh 0.68794 0.18794 0.82583 1.00000
  Rh3 Rh 0.18794 0.31206 0.82583 1.00000
  Rh4 Rh 0.81206 0.68794 0.82583 1.00000
  Rh5 Rh 0.68794 0.18794 0.17417 1.00000
  Rh6 Rh 0.31206 0.81206 0.17417 1.00000
  Rh7 Rh 0.81206 0.68794 0.17417 1.00000
  Rh8 Rh 0.18794 0.31206 0.17417 1.00000
  Rh9 Rh 0.09771 0.59771 0.00000 1.00000
  Rh10 Rh 0.90229 0.40229 0.00000 1.00000
  Rh11 Rh 0.40229 0.09771 0.00000 1.00000
  Rh12 Rh 0.59771 0.90229 0.00000 1.00000
  Rh13 Rh 0.50000 0.50000 0.59389 1.00000
  Rh14 Rh 0.00000 0.00000 0.59389 1.00000
  Rh15 Rh 0.50000 0.50000 0.40611 1.00000
  Rh16 Rh 0.00000 0.00000 0.40611 1.00000
  Rh17 Rh 0.50000 0.50000 0.78700 1.00000
  Rh18 Rh 0.00000 0.00000 0.78700 1.00000
  Rh19 Rh 0.50000 0.50000 0.21300 1.00000
  Rh20 Rh 0.00000 0.00000 0.21300 1.00000
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