EuO4

Alexandria ALEX

Alex-ID: agm083221981 · 空间群: Imma (#74)

Alexandria Database API

基础信息

化学式

EuO4

Alex-ID

agm083221981

元素数

位点数

空间群

Imma (#74)

晶系

orthorhombic

体积

278.03

Å³

晶胞参数 a

5.7198

晶胞参数 b

6.6854

晶胞参数 c

7.2708

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

EuO4

4.00 · 20.0%

16.00 · 80.0%

能量与稳定性

凸包上方能量

0.0000

eV/atom

形成能

-1.7869

eV/atom

校正后总能量

-156.1661

原始总能量

-144.9295

电子结构

间接带隙

0.0000

直接带隙

0.0012

费米能级态密度

12.7388

总磁矩

19.9511

μB

其他信息

原型 ID

AB4_2298_spg7

分解产物

EuO4

计算时间

2025-02-25 13:57:19

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: agm083221981).

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 agm083221981
data_agm083221981
_cell_length_a     5.71982
_cell_length_b     6.68540
_cell_length_c     7.27077
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       278.02935
_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
  Eu1 Eu 0.99931 0.25008 0.74993 1.00000
  Eu2 Eu 0.49931 0.74992 0.74993 1.00000
  Eu3 Eu 0.49931 0.74992 0.25007 1.00000
  Eu4 Eu 0.99931 0.25008 0.25007 1.00000
  O1 O 0.75075 0.99889 0.40615 1.00000
  O2 O 0.24845 0.50072 0.09386 1.00000
  O3 O 0.74845 0.49928 0.09386 1.00000
  O4 O 0.25075 0.00111 0.40615 1.00000
  O5 O 0.25075 0.00111 0.59385 1.00000
  O6 O 0.74845 0.49928 0.90614 1.00000
  O7 O 0.24845 0.50072 0.90614 1.00000
  O8 O 0.75075 0.99889 0.59385 1.00000
  O9 O 0.74626 0.60204 0.50000 1.00000
  O10 O 0.25199 0.89745 0.00000 1.00000
  O11 O 0.75199 0.10255 0.00000 1.00000
  O12 O 0.24626 0.39796 0.50000 1.00000
  O13 O 0.75056 0.39569 0.50000 1.00000
  O14 O 0.24745 0.10374 0.00000 1.00000
  O15 O 0.74745 0.89626 0.00000 1.00000
  O16 O 0.25056 0.60431 0.50000 1.00000

获取直接链接