Ac(Bi2Pt)4

Alexandria ALEX

Alex-ID: agm097870195 · 空间群: Pm (#6)

Alexandria Database API

基础信息

化学式

Ac(Bi2Pt)4

Alex-ID

agm097870195

元素数

位点数

空间群

Pm (#6)

晶系

monoclinic

体积

380.21

Å³

晶胞参数 a

4.1806

晶胞参数 b

10.6501

晶胞参数 c

9.9752

α 角

58.88

β 角

89.96

γ 角

89.97

组成

元素组成（原子分数）

组成信息

化学式

Ac(Bi2Pt)4

1.00 · 7.7%

8.00 · 61.5%

4.00 · 30.8%

能量与稳定性

凸包上方能量

0.1534

eV/atom

形成能

-0.2426

eV/atom

校正后总能量

-62.6619

原始总能量

-62.6619

电子结构

间接带隙

0.0000

直接带隙

0.0000

费米能级态密度

4.9360

总磁矩

0.0000

μB

其他信息

原型 ID

AB4C8_785_spg1

分解产物

Ac3Bi4Pt3 Bi2Pt Bi

计算时间

2025-06-18 04:30:00

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: agm097870195).

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 agm097870195
data_agm097870195
_cell_length_a     4.18063
_cell_length_b     10.65011
_cell_length_c     9.97522
_cell_angle_alpha  58.87808
_cell_angle_beta   89.96144
_cell_angle_gamma  89.97048
_cell_volume       380.21355
_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
  Ac1 Ac 0.26853 0.99937 0.03410 1.00000
  Bi1 Bi 0.27114 0.35372 0.01515 1.00000
  Bi2 Bi 0.76923 0.62494 0.30762 1.00000
  Bi3 Bi 0.26933 0.75046 0.53453 1.00000
  Bi4 Bi 0.76867 0.05089 0.68537 1.00000
  Bi5 Bi 0.76917 0.01850 0.32719 1.00000
  Bi6 Bi 0.26934 0.34457 0.34033 1.00000
  Bi7 Bi 0.76876 0.33441 0.72890 1.00000
  Bi8 Bi 0.26926 0.69191 0.89345 1.00000
  Pt1 Pt 0.76890 0.81840 0.99228 1.00000
  Pt2 Pt 0.76972 0.48914 0.11155 1.00000
  Pt3 Pt 0.26902 0.48641 0.51910 1.00000
  Pt4 Pt 0.26893 0.03729 0.51043 1.00000

获取直接链接