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Tm8GeRh2

Alexandria ALEX

Alex-ID: agm006010489 · 空间群: Cm (#8)

Alexandria Database API

基础信息

化学式
Tm8GeRh2
Alex-ID
agm006010489
元素数
3
位点数
11
空间群
Cm (#8)
晶系
monoclinic
体积
287.98
ų
晶胞参数 a
5.8269
Å
晶胞参数 b
7.5072
Å
晶胞参数 c
7.5072
Å
α 角
113.04
°
β 角
99.62
°
γ 角
99.62
°

组成

元素组成（原子分数）
组成信息
化学式
Tm8GeRh2
Ge
1.00 · 9.1%
Tm
8.00 · 72.7%
Rh
2.00 · 18.2%

能量与稳定性

凸包上方能量
0.1600
eV/atom
形成能
-0.4491
eV/atom
校正后总能量
-60.0322
eV
原始总能量
-60.0322
eV

电子结构

间接带隙
0.0000
eV
直接带隙
0.0152
eV
费米能级态密度
9.5730
总磁矩
-0.0001
μB

其他信息

原型 ID

AB2C8_133_spg12

分解产物

Tm3Rh Tm5Ge3 Tm

计算时间

2023-10-19 07:27:54.118348

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: agm006010489).

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 agm006010489
data_agm006010489
_cell_length_a     5.82689
_cell_length_b     7.50721
_cell_length_c     7.50721
_cell_angle_alpha  113.04354
_cell_angle_beta   99.62196
_cell_angle_gamma  99.62197
_cell_volume       287.98332
_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
  Ge1 Ge 0.14853 0.00482 0.00482 1.00000
  Tm1 Tm 0.57966 0.33838 0.07828 1.00000
  Tm2 Tm 0.57966 0.07828 0.33838 1.00000
  Tm3 Tm 0.18005 0.37645 0.37645 1.00000
  Tm4 Tm 0.98490 0.22479 0.77555 1.00000
  Tm5 Tm 0.98490 0.77555 0.22479 1.00000
  Tm6 Tm 0.80171 0.63920 0.63920 1.00000
  Tm7 Tm 0.37523 0.92667 0.66090 1.00000
  Tm8 Tm 0.37523 0.66090 0.92667 1.00000
  Rh1 Rh 0.49489 0.69206 0.31683 1.00000
  Rh2 Rh 0.49489 0.31683 0.69206 1.00000
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