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Rb5Dy3Te8

Alexandria ALEX

Alex-ID: agm009356989 · 空间群: R-3m (#166)

Alexandria Database API

基础信息

化学式
Rb5Dy3Te8
Alex-ID
agm009356989
元素数
3
位点数
16
空间群
R-3m (#166)
晶系
trigonal
体积
647.30
ų
晶胞参数 a
10.1803
Å
晶胞参数 b
10.1803
Å
晶胞参数 c
10.1803
Å
α 角
54.33
°
β 角
54.33
°
γ 角
54.33
°

组成

元素组成（原子分数）
组成信息
化学式
Rb5Dy3Te8
Rb
5.00 · 31.3%
Dy
3.00 · 18.8%
Te
8.00 · 50.0%

能量与稳定性

凸包上方能量
0.1135
eV/atom
形成能
-1.1357
eV/atom
校正后总能量
-61.9544
eV
原始总能量
-61.9544
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
12.9700
总磁矩
-0.0017
μB

其他信息

原型 ID

A3B5C8_3_spg166

分解产物

RbDyTe2 RbTe

计算时间

2024-03-07 14:10:29.094721

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: agm009356989).

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 agm009356989
data_agm009356989
_cell_length_a     10.18033
_cell_length_b     10.18033
_cell_length_c     10.18033
_cell_angle_alpha  54.32595
_cell_angle_beta   54.32595
_cell_angle_gamma  54.32595
_cell_volume       647.29920
_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
  Rb1 Rb 0.50000 0.00000 0.50000 1.00000
  Rb2 Rb 0.00000 0.50000 0.50000 1.00000
  Rb3 Rb 0.00000 0.00000 0.00000 1.00000
  Rb4 Rb 0.50000 0.50000 0.00000 1.00000
  Rb5 Rb 0.50000 0.50000 0.50000 1.00000
  Dy1 Dy 0.00000 0.00000 0.50000 1.00000
  Dy2 Dy 0.50000 0.00000 0.00000 1.00000
  Dy3 Dy 0.00000 0.50000 0.00000 1.00000
  Te1 Te 0.80089 0.24790 0.24790 1.00000
  Te2 Te 0.24790 0.80089 0.24790 1.00000
  Te3 Te 0.24790 0.24790 0.80089 1.00000
  Te4 Te 0.76716 0.76716 0.76716 1.00000
  Te5 Te 0.19911 0.75210 0.75210 1.00000
  Te6 Te 0.75210 0.19911 0.75210 1.00000
  Te7 Te 0.75210 0.75210 0.19911 1.00000
  Te8 Te 0.23284 0.23284 0.23284 1.00000
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