Sr2Co2Ge2N

Alexandria ALEX

Alex-ID: agm004544331 · 空间群: C2/m (#12)

Alexandria Database API

基础信息

化学式

Sr2Co2Ge2N

Alex-ID

agm004544331

元素数

位点数

空间群

C2/m (#12)

晶系

monoclinic

体积

135.27

Å³

晶胞参数 a

4.0790

晶胞参数 b

6.1451

晶胞参数 c

7.2515

α 角

54.59

β 角

89.98

γ 角

70.58

组成

元素组成（原子分数）

组成信息

化学式

Sr2Co2Ge2N

2.00 · 28.6%

1.00 · 14.3%

能量与稳定性

凸包上方能量

0.0000

eV/atom

形成能

-0.5610

eV/atom

校正后总能量

-38.7405

原始总能量

-38.7405

电子结构

间接带隙

0.0000

直接带隙

0.0000

费米能级态密度

5.2634

总磁矩

-0.0003

μB

其他信息

原型 ID

AB2C2D2_67_spg12

分解产物

Sr2Co2Ge2N

计算时间

2022-06-22 22:51:34.270126

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: agm004544331).

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

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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 agm004544331
data_agm004544331
_cell_length_a     4.07901
_cell_length_b     6.14506
_cell_length_c     7.25152
_cell_angle_alpha  54.58946
_cell_angle_beta   89.98477
_cell_angle_gamma  70.57952
_cell_volume       135.26625
_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
  Sr1 Sr 0.55494 0.89044 0.80702 1.00000
  Sr2 Sr 0.44506 0.10956 0.19298 1.00000
  Co1 Co 0.82380 0.35347 0.74326 1.00000
  Co2 Co 0.17620 0.64653 0.25674 1.00000
  Ge1 Ge 0.80607 0.38775 0.38969 1.00000
  Ge2 Ge 0.19393 0.61225 0.61031 1.00000
  N1 N 0.00000 0.00000 0.00000 1.00000

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