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Tb6Ag5Os

Alexandria ALEX

Alex-ID: agm062924901 · 空间群: Immm (#71)

Alexandria Database API

基础信息

化学式
Tb6Ag5Os
Alex-ID
agm062924901
元素数
3
位点数
12
空间群
Immm (#71)
晶系
orthorhombic
体积
282.74
ų
晶胞参数 a
8.8383
Å
晶胞参数 b
8.8383
Å
晶胞参数 c
8.8383
Å
α 角
146.48
°
β 角
131.55
°
γ 角
60.21
°

组成

元素组成（原子分数）
组成信息
化学式
Tb6Ag5Os
Tb
6.00 · 50.0%
Ag
5.00 · 41.7%
Os
1.00 · 8.3%

能量与稳定性

凸包上方能量
0.0004
eV/atom
形成能
-0.3077
eV/atom
校正后总能量
-56.9726
eV
原始总能量
-56.9726
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
9.3748
总磁矩
0.0000
μB

其他信息

原型 ID

AB5C6_91_spg71

分解产物

Tb6Ag5Os

计算时间

2024-10-02 13:47:22.574709

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: agm062924901).

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 agm062924901
data_agm062924901
_cell_length_a     8.83831
_cell_length_b     8.83831
_cell_length_c     8.83831
_cell_angle_alpha  146.47562
_cell_angle_beta   131.54734
_cell_angle_gamma  60.20557
_cell_volume       282.74111
_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
  Tb1 Tb 0.10328 0.84233 0.26095 1.00000
  Tb2 Tb 0.58138 0.84233 0.73905 1.00000
  Tb3 Tb 0.26863 0.50000 0.76863 1.00000
  Tb4 Tb 0.73137 0.50000 0.23137 1.00000
  Tb5 Tb 0.41862 0.15767 0.26095 1.00000
  Tb6 Tb 0.89672 0.15767 0.73905 1.00000
  Ag1 Ag 0.67688 0.67688 0.00000 1.00000
  Ag2 Ag 0.83340 0.33340 0.50000 1.00000
  Ag3 Ag 0.00000 0.00000 0.00000 1.00000
  Ag4 Ag 0.16660 0.66660 0.50000 1.00000
  Ag5 Ag 0.32312 0.32312 0.00000 1.00000
  Os1 Os 0.50000 0.00000 0.50000 1.00000
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