Mn2Ag2SbO6

Alexandria ALEX

Alex-ID: agm033137965 · 空间群: C2/m (#12)

Alexandria Database API

基础信息

化学式

Mn2Ag2SbO6

Alex-ID

agm033137965

元素数

位点数

空间群

C2/m (#12)

晶系

monoclinic

体积

168.49

Å³

晶胞参数 a

5.4672

晶胞参数 b

5.4672

晶胞参数 c

6.5149

α 角

84.43

β 角

84.43

γ 角

118.22

组成

元素组成（原子分数）

组成信息

化学式

Mn2Ag2SbO6

2.00 · 18.2%

1.00 · 9.1%

6.00 · 54.5%

能量与稳定性

凸包上方能量

0.0497

eV/atom

形成能

-1.5241

eV/atom

校正后总能量

-74.6781

原始总能量

-67.1027

电子结构

间接带隙

0.0327

直接带隙

0.0327

费米能级态密度

3.1410

总磁矩

9.0000

μB

其他信息

原型 ID

AB2C2D6_30_spg12

分解产物

Mn4Ag3O8 MnSbO4 Ag

计算时间

2024-10-31 16:19:58.172729

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: agm033137965).

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 agm033137965
data_agm033137965
_cell_length_a     5.46719
_cell_length_b     5.46719
_cell_length_c     6.51490
_cell_angle_alpha  84.43484
_cell_angle_beta   84.43484
_cell_angle_gamma  118.22184
_cell_volume       168.49345
_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
  Mn1 Mn 0.33563 0.66437 0.00000 1.00000
  Mn2 Mn 0.66437 0.33563 0.00000 1.00000
  Ag1 Ag 0.83656 0.16344 0.50000 1.00000
  Ag2 Ag 0.16344 0.83656 0.50000 1.00000
  Sb1 Sb 0.00000 0.00000 0.00000 1.00000
  O1 O 0.34812 0.34812 0.85462 1.00000
  O2 O 0.73429 0.06213 0.82973 1.00000
  O3 O 0.65188 0.65188 0.14538 1.00000
  O4 O 0.06213 0.73429 0.82973 1.00000
  O5 O 0.26571 0.93787 0.17027 1.00000
  O6 O 0.93787 0.26571 0.17027 1.00000

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