RbEu(WO4)2

Alexandria ALEX

Alex-ID: agm005288846 · 空间群: C2/c (#15)

Alexandria Database API

基础信息

化学式

RbEu(WO4)2

Alex-ID

agm005288846

元素数

位点数

空间群

C2/c (#15)

晶系

monoclinic

体积

351.57

Å³

晶胞参数 a

7.8224

晶胞参数 b

7.8224

晶胞参数 c

7.5384

α 角

62.52

β 角

62.52

γ 角

89.05

组成

元素组成（原子分数）

组成信息

化学式

RbEu(WO4)2

2.00 · 8.3%

4.00 · 16.7%

16.00 · 66.7%

能量与稳定性

凸包上方能量

0.0000

eV/atom

形成能

-2.4698

eV/atom

校正后总能量

-212.9023

原始总能量

-184.2617

电子结构

间接带隙

0.0000

直接带隙

0.0026

费米能级态密度

33.0719

总磁矩

11.9608

μB

其他信息

原型 ID

ABC2D8_2_spg15

分解产物

RbEu(WO4)2

计算时间

2022-12-13 00:00:39.375408

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: agm005288846).

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 agm005288846
data_agm005288846
_cell_length_a     7.82241
_cell_length_b     7.82241
_cell_length_c     7.53842
_cell_angle_alpha  62.51839
_cell_angle_beta   62.51839
_cell_angle_gamma  89.04904
_cell_volume       351.56835
_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
  Rb1 Rb 0.20724 0.79276 0.75000 1.00000
  Rb2 Rb 0.79276 0.20724 0.25000 1.00000
  Eu1 Eu 0.77489 0.22511 0.75000 1.00000
  Eu2 Eu 0.22511 0.77489 0.25000 1.00000
  W1 W 0.69842 0.68855 0.78892 1.00000
  W2 W 0.30158 0.31145 0.21108 1.00000
  W3 W 0.31145 0.30158 0.71108 1.00000
  W4 W 0.68855 0.69842 0.28892 1.00000
  O1 O 0.62692 0.74406 0.56178 1.00000
  O2 O 0.37308 0.25594 0.43822 1.00000
  O3 O 0.25594 0.37308 0.93822 1.00000
  O4 O 0.74406 0.62692 0.06178 1.00000
  O5 O 0.36082 0.06109 0.86773 1.00000
  O6 O 0.63918 0.93891 0.13227 1.00000
  O7 O 0.93891 0.63918 0.63227 1.00000
  O8 O 0.06109 0.36082 0.36773 1.00000
  O9 O 0.59188 0.37684 0.96689 1.00000
  O10 O 0.40812 0.62316 0.03311 1.00000
  O11 O 0.62316 0.40812 0.53311 1.00000
  O12 O 0.37684 0.59188 0.46689 1.00000
  O13 O 0.76532 0.95108 0.69731 1.00000
  O14 O 0.23468 0.04892 0.30269 1.00000
  O15 O 0.04892 0.23468 0.80269 1.00000
  O16 O 0.95108 0.76532 0.19731 1.00000

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