Ag(NO3)2

Alexandria ALEX

Alex-ID: agm005686635 · 空间群: C2/c (#15)

Alexandria Database API

基础信息

化学式

Ag(NO3)2

Alex-ID

agm005686635

元素数

位点数

空间群

C2/c (#15)

晶系

monoclinic

体积

287.69

Å³

晶胞参数 a

7.9318

晶胞参数 b

6.4151

晶胞参数 c

6.4151

α 角

89.72

β 角

70.43

γ 角

70.44

组成

元素组成（原子分数）

组成信息

化学式

Ag(NO3)2

2.00 · 11.1%

4.00 · 22.2%

12.00 · 66.7%

能量与稳定性

凸包上方能量

0.0000

eV/atom

形成能

-0.7727

eV/atom

校正后总能量

-110.9204

原始总能量

-102.4929

电子结构

间接带隙

0.0000

直接带隙

0.0152

费米能级态密度

4.5663

总磁矩

0.0000

μB

其他信息

原型 ID

AB2C6_1419_spg15

分解产物

Ag(NO3)2

计算时间

2023-07-09 00:55:05.341681

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: agm005686635).

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 agm005686635
data_agm005686635
_cell_length_a     7.93184
_cell_length_b     6.41508
_cell_length_c     6.41508
_cell_angle_alpha  89.72178
_cell_angle_beta   70.43498
_cell_angle_gamma  70.43501
_cell_volume       287.69186
_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
  Ag1 Ag 0.25000 0.11181 0.88819 1.00000
  Ag2 Ag 0.75000 0.88819 0.11181 1.00000
  N1 N 0.28114 0.60709 0.87346 1.00000
  N2 N 0.21886 0.12654 0.39291 1.00000
  N3 N 0.71886 0.39291 0.12654 1.00000
  N4 N 0.78114 0.87346 0.60709 1.00000
  O1 O 0.45375 0.54968 0.77354 1.00000
  O2 O 0.04625 0.22646 0.45032 1.00000
  O3 O 0.54625 0.45032 0.22646 1.00000
  O4 O 0.95375 0.77354 0.54968 1.00000
  O5 O 0.68846 0.93108 0.47423 1.00000
  O6 O 0.81154 0.52577 0.06892 1.00000
  O7 O 0.31154 0.06892 0.52577 1.00000
  O8 O 0.18846 0.47423 0.93108 1.00000
  O9 O 0.16844 0.81317 0.93470 1.00000
  O10 O 0.33156 0.06530 0.18683 1.00000
  O11 O 0.83156 0.18683 0.06530 1.00000
  O12 O 0.66844 0.93470 0.81317 1.00000

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