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Dy4ErPt15

Alexandria ALEX

Alex-ID: agm054453496 · 空间群: P4/mmm (#123)

Alexandria Database API

基础信息

化学式
Dy4ErPt15
Alex-ID
agm054453496
元素数
3
位点数
20
空间群
P4/mmm (#123)
晶系
tetragonal
体积
348.46
ų
晶胞参数 a
4.1229
Å
晶胞参数 b
4.1229
Å
晶胞参数 c
20.4999
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
Dy4ErPt15
Dy
4.00 · 20.0%
Er
1.00 · 5.0%
Pt
15.00 · 75.0%

能量与稳定性

凸包上方能量
0.0000
eV/atom
形成能
-1.0123
eV/atom
校正后总能量
-134.5447
eV
原始总能量
-134.5446
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
16.2200
总磁矩
0.0001
μB

其他信息

原型 ID

AB4C15_2_spg123

分解产物

Dy4ErPt15

计算时间

2024-11-07 06:55:22.124866

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: agm054453496).

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 agm054453496
data_agm054453496
_cell_length_a     4.12285
_cell_length_b     4.12285
_cell_length_c     20.49992
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       348.45586
_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 0.19947 1.00000
  Dy2 Dy 0.00000 0.00000 0.39977 1.00000
  Dy3 Dy 0.00000 0.00000 0.60023 1.00000
  Dy4 Dy 0.00000 0.00000 0.80053 1.00000
  Er1 Er 0.00000 0.00000 0.00000 1.00000
  Pt1 Pt 0.50000 0.50000 0.00000 1.00000
  Pt2 Pt 0.50000 0.50000 0.19936 1.00000
  Pt3 Pt 0.50000 0.50000 0.39980 1.00000
  Pt4 Pt 0.50000 0.50000 0.60020 1.00000
  Pt5 Pt 0.50000 0.50000 0.80064 1.00000
  Pt6 Pt 0.50000 0.00000 0.09910 1.00000
  Pt7 Pt 0.50000 0.00000 0.29959 1.00000
  Pt8 Pt 0.50000 0.00000 0.50000 1.00000
  Pt9 Pt 0.50000 0.00000 0.70041 1.00000
  Pt10 Pt 0.50000 0.00000 0.90090 1.00000
  Pt11 Pt 0.00000 0.50000 0.09910 1.00000
  Pt12 Pt 0.00000 0.50000 0.29959 1.00000
  Pt13 Pt 0.00000 0.50000 0.50000 1.00000
  Pt14 Pt 0.00000 0.50000 0.70041 1.00000
  Pt15 Pt 0.00000 0.50000 0.90090 1.00000
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