Tb2Dy8Tm3

Alexandria ALEX

Alex-ID: agm010225698 · 空间群: P-1 (#2)

Alexandria Database API

基础信息

化学式

Tb2Dy8Tm3

Alex-ID

agm010225698

元素数

位点数

空间群

P-1 (#2)

晶系

triclinic

体积

402.54

Å³

晶胞参数 a

6.1065

晶胞参数 b

6.1020

晶胞参数 c

11.1454

α 角

100.48

β 角

89.94

γ 角

99.54

组成

元素组成（原子分数）

组成信息

化学式

Tb2Dy8Tm3

2.00 · 15.4%

8.00 · 61.5%

3.00 · 23.1%

能量与稳定性

凸包上方能量

0.0279

eV/atom

形成能

0.0221

eV/atom

校正后总能量

-59.2216

原始总能量

-59.2216

电子结构

间接带隙

0.0000

直接带隙

0.0000

费米能级态密度

18.8331

总磁矩

0.0000

μB

其他信息

原型 ID

A2B3C8_356_spg2

分解产物

DyTm5 TbDy5 Tb5Dy

计算时间

2024-05-05 20:14:35.728621

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: agm010225698).

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 agm010225698
data_agm010225698
_cell_length_a     6.10646
_cell_length_b     6.10198
_cell_length_c     11.14543
_cell_angle_alpha  100.47791
_cell_angle_beta   89.94273
_cell_angle_gamma  99.54009
_cell_volume       402.54085
_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 0.76942 0.61536 0.46115 1.00000
  Tb2 Tb 0.23058 0.38464 0.53885 1.00000
  Dy1 Dy 0.07763 0.46139 0.84747 1.00000
  Dy2 Dy 0.92237 0.53861 0.15253 1.00000
  Dy3 Dy 0.15462 0.92304 0.69387 1.00000
  Dy4 Dy 0.84538 0.07696 0.30613 1.00000
  Dy5 Dy 0.38365 0.30771 0.22906 1.00000
  Dy6 Dy 0.30785 0.84629 0.38340 1.00000
  Dy7 Dy 0.69215 0.15371 0.61660 1.00000
  Dy8 Dy 0.61635 0.69229 0.77094 1.00000
  Tm1 Tm 0.00000 0.00000 0.00000 1.00000
  Tm2 Tm 0.46145 0.76945 0.07607 1.00000
  Tm3 Tm 0.53855 0.23055 0.92393 1.00000

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