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Ac7(DyHo)2

Alexandria ALEX

Alex-ID: agm005570079 · 空间群: C2/m (#12)

Alexandria Database API

基础信息

化学式
Ac7(DyHo)2
Alex-ID
agm005570079
元素数
3
位点数
11
空间群
C2/m (#12)
晶系
monoclinic
体积
463.28
ų
晶胞参数 a
6.6980
Å
晶胞参数 b
8.4692
Å
晶胞参数 c
8.4692
Å
α 角
77.16
°
β 角
83.37
°
γ 角
83.37
°

组成

元素组成（原子分数）
组成信息
化学式
Ac7(DyHo)2
Ac
7.00 · 63.6%
Dy
2.00 · 18.2%
Ho
2.00 · 18.2%

能量与稳定性

凸包上方能量
0.2669
eV/atom
形成能
0.2657
eV/atom
校正后总能量
-44.2010
eV
原始总能量
-44.2010
eV

电子结构

间接带隙
0.0000
eV
直接带隙
0.0000
eV
费米能级态密度
19.4537
总磁矩
0.0000
μB

其他信息

原型 ID

A2B2C7_255_spg12

分解产物

Dy5Ho Dy2Ho7 Ac

计算时间

2023-06-04 07:26:46.945718

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: agm005570079).

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 agm005570079
data_agm005570079
_cell_length_a     6.69804
_cell_length_b     8.46923
_cell_length_c     8.46923
_cell_angle_alpha  77.15616
_cell_angle_beta   83.36994
_cell_angle_gamma  83.36995
_cell_volume       463.27817
_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
  Ac1 Ac 0.25075 0.91430 0.56784 1.00000
  Ac2 Ac 0.74925 0.43216 0.08570 1.00000
  Ac3 Ac 0.74925 0.08570 0.43216 1.00000
  Ac4 Ac 0.25075 0.56784 0.91430 1.00000
  Ac5 Ac 0.00000 0.00000 0.00000 1.00000
  Ac6 Ac 0.73620 0.54724 0.54724 1.00000
  Ac7 Ac 0.26380 0.45276 0.45276 1.00000
  Dy1 Dy 0.71419 0.79906 0.79906 1.00000
  Dy2 Dy 0.28581 0.20094 0.20094 1.00000
  Ho1 Ho 0.50000 0.82715 0.17285 1.00000
  Ho2 Ho 0.50000 0.17285 0.82715 1.00000
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