Tb24Fe3CoBi8

Alexandria ALEX

Alex-ID: agm005221224 · 空间群: Pm (#6)

Alexandria Database API

基础信息

化学式

Tb24Fe3CoBi8

Alex-ID

agm005221224

元素数

位点数

空间群

Pm (#6)

晶系

monoclinic

体积

1,019.47

Å³

晶胞参数 a

4.1573

晶胞参数 b

8.4144

晶胞参数 c

29.1432

α 角

89.89

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

Tb24Fe3CoBi8

24.00 · 66.7%

3.00 · 8.3%

1.00 · 2.8%

8.00 · 22.2%

能量与稳定性

凸包上方能量

0.0226

eV/atom

形成能

-0.4297

eV/atom

校正后总能量

-190.2062

原始总能量

-190.2061

电子结构

间接带隙

0.0000

直接带隙

0.0029

费米能级态密度

32.5432

总磁矩

1.0987

μB

其他信息

原型 ID

AB3C8D24_8_spg6

分解产物

Tb5CoBi2 Tb5FeBi2 Tb

计算时间

2024-10-04 12:37:27

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: agm005221224).

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 | 拖拽旋转 · 滚轮缩放 · 右键平移

原始 CIF 数据

# CIF generated by HEAS from Alexandria entry agm005221224
data_agm005221224
_cell_length_a     4.15733
_cell_length_b     8.41438
_cell_length_c     29.14323
_cell_angle_alpha  89.88597
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       1019.46866
_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 0.00000 0.37550 0.19303 1.00000
  Tb2 Tb 0.00000 0.87061 0.44248 1.00000
  Tb3 Tb 0.00000 0.37091 0.69309 1.00000
  Tb4 Tb 0.00000 0.87163 0.94235 1.00000
  Tb5 Tb 0.50000 0.09410 0.25027 1.00000
  Tb6 Tb 0.50000 0.59178 0.50069 1.00000
  Tb7 Tb 0.50000 0.09075 0.75053 1.00000
  Tb8 Tb 0.50000 0.59477 0.00078 1.00000
  Tb9 Tb 0.50000 0.69015 0.15127 1.00000
  Tb10 Tb 0.50000 0.18410 0.40205 1.00000
  Tb11 Tb 0.50000 0.68452 0.65144 1.00000
  Tb12 Tb 0.50000 0.18284 0.90310 1.00000
  Tb13 Tb 0.50000 0.19394 0.10113 1.00000
  Tb14 Tb 0.50000 0.68431 0.34887 1.00000
  Tb15 Tb 0.50000 0.18460 0.59962 1.00000
  Tb16 Tb 0.50000 0.68202 0.84859 1.00000
  Tb17 Tb 0.00000 0.22502 0.00126 1.00000
  Tb18 Tb 0.00000 0.72056 0.25041 1.00000
  Tb19 Tb 0.00000 0.21892 0.50065 1.00000
  Tb20 Tb 0.00000 0.71606 0.75035 1.00000
  Tb21 Tb 0.00000 0.88062 0.05702 1.00000
  Tb22 Tb 0.00000 0.37087 0.30880 1.00000
  Tb23 Tb 0.00000 0.87173 0.55818 1.00000
  Tb24 Tb 0.00000 0.36769 0.80928 1.00000
  Fe1 Fe 0.50000 0.48857 0.25216 1.00000
  Fe2 Fe 0.50000 0.98750 0.49980 1.00000
  Fe3 Fe 0.50000 0.48342 0.75202 1.00000
  Co1 Co 0.50000 0.99922 0.99458 1.00000
  Bi1 Bi 0.00000 0.99022 0.16676 1.00000
  Bi2 Bi 0.00000 0.48709 0.41726 1.00000
  Bi3 Bi 0.00000 0.98643 0.66719 1.00000
  Bi4 Bi 0.00000 0.48866 0.91751 1.00000
  Bi5 Bi 0.00000 0.49516 0.08411 1.00000
  Bi6 Bi 0.00000 0.98731 0.33377 1.00000
  Bi7 Bi 0.00000 0.48679 0.58410 1.00000
  Bi8 Bi 0.00000 0.98418 0.83385 1.00000

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