La2MnSn3Pt4

Alexandria ALEX

Alex-ID: agm004516482 · 空间群: P-4m2 (#115)

Alexandria Database API

基础信息

化学式

La2MnSn3Pt4

Alex-ID

agm004516482

元素数

位点数

空间群

P-4m2 (#115)

晶系

tetragonal

体积

224.68

Å³

晶胞参数 a

4.5880

晶胞参数 b

4.5880

晶胞参数 c

10.6737

α 角

90.00

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

La2MnSn3Pt4

2.00 · 20.0%

1.00 · 10.0%

3.00 · 30.0%

4.00 · 40.0%

能量与稳定性

凸包上方能量

0.0551

eV/atom

形成能

-0.7859

eV/atom

校正后总能量

-63.2437

原始总能量

-63.2436

电子结构

间接带隙

0.0000

直接带隙

0.0000

费米能级态密度

6.5115

总磁矩

4.2640

μB

其他信息

原型 ID

AB2C3D4_52_spg115

分解产物

Mn2Pt La(SnPt)2 La15Pt32 LaSnPt

计算时间

2022-06-21 10:09:39.561655

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: agm004516482).

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 agm004516482
data_agm004516482
_cell_length_a     4.58799
_cell_length_b     4.58799
_cell_length_c     10.67372
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       224.67791
_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
  La1 La 0.50000 0.00000 0.25090 1.00000
  La2 La 0.00000 0.50000 0.74910 1.00000
  Mn1 Mn 0.50000 0.50000 0.50000 1.00000
  Sn1 Sn 0.00000 0.00000 0.50000 1.00000
  Sn2 Sn 0.50000 0.00000 0.87078 1.00000
  Sn3 Sn 0.00000 0.50000 0.12922 1.00000
  Pt1 Pt 0.50000 0.50000 0.00000 1.00000
  Pt2 Pt 0.00000 0.00000 0.00000 1.00000
  Pt3 Pt 0.50000 0.00000 0.62699 1.00000
  Pt4 Pt 0.00000 0.50000 0.37301 1.00000

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