U(Zn10Co)2

HEA 稳定

MP-ID: mp-1202337 · 空间群: Fd-3m (#227)

Materials Project API

基础信息

化学式
U(Zn10Co)2
MP-ID
mp-1202337
元素数
3
位点数
46
密度
7.9564
g/cm³
体积
694.60
ų
晶胞参数 a
9.9407
Å
晶胞参数 b
9.9407
Å
晶胞参数 c
9.9407
Å
α 角
60.00
°
β 角
60.00
°
γ 角
60.00
°
晶体系统
Cubic
Bravais 格子
cF
点群
m-3m
堆积分数
0.7405

能量属性

形成能/原子
-0.09482
eV/atom
能量/原子
-2.30148
eV/atom
凸包距离
0.0000
eV/atom
未修正能量
-2.3015
eV/atom
体积/原子
15.10
ų
c/a 比
1.0000

电子属性

金属性
金属
带隙 (eV)
0
直接带隙
No
CBM
3.733

磁性属性

磁性
Yes
总磁矩 (μB)
4.5979
磁有序
FiM
磁性位点数
6
磁化强度/体积 (μB/ų)
6.62e-3

弹性数据不可用

引用与参考

Materials Project 官方页面
https://next-gen.materialsproject.org/materials/mp-1202337
关联任务 ID (4 个)
mp-1202337 mp-1373468 mp-1884321 mp-1682647

CIF 晶体结构 3D 渲染

加载 3D 结构...

样式: Ball & Stick
原始 CIF 数据 
# generated using pymatgen
data_U(Zn10Co)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.94069663
_cell_length_b   9.94069663
_cell_length_c   9.94069663
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   U(Zn10Co)2
_chemical_formula_sum   'U2 Zn40 Co4'
_cell_volume   694.60109464
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  U  U0  1  0.50000000  0.50000000  0.50000000  1
  U  U1  1  0.75000000  0.75000000  0.75000000  1
  Zn  Zn2  1  0.12500000  0.62500000  0.62500000  1
  Zn  Zn3  1  0.62500000  0.12500000  0.62500000  1
  Zn  Zn4  1  0.62500000  0.62500000  0.12500000  1
  Zn  Zn5  1  0.62500000  0.62500000  0.62500000  1
  Zn  Zn6  1  0.86374000  0.86374000  0.13626000  1
  Zn  Zn7  1  0.13626000  0.13626000  0.86374000  1
  Zn  Zn8  1  0.86374000  0.13626000  0.86374000  1
  Zn  Zn9  1  0.13626000  0.86374000  0.13626000  1
  Zn  Zn10  1  0.13626000  0.86374000  0.86374000  1
  Zn  Zn11  1  0.86374000  0.13626000  0.13626000  1
  Zn  Zn12  1  0.38626000  0.38626000  0.11374000  1
  Zn  Zn13  1  0.11374000  0.11374000  0.38626000  1
  Zn  Zn14  1  0.38626000  0.11374000  0.38626000  1
  Zn  Zn15  1  0.11374000  0.38626000  0.11374000  1
  Zn  Zn16  1  0.11374000  0.38626000  0.38626000  1
  Zn  Zn17  1  0.38626000  0.11374000  0.11374000  1
  Zn  Zn18  1  0.56888800  0.29985000  0.29985000  1
  Zn  Zn19  1  0.29985000  0.56888800  0.83141300  1
  Zn  Zn20  1  0.29985000  0.83141300  0.56888800  1
  Zn  Zn21  1  0.83141300  0.29985000  0.29985000  1
  Zn  Zn22  1  0.29985000  0.29985000  0.56888800  1
  Zn  Zn23  1  0.56888800  0.83141300  0.29985000  1
  Zn  Zn24  1  0.83141300  0.56888800  0.29985000  1
  Zn  Zn25  1  0.29985000  0.29985000  0.83141300  1
  Zn  Zn26  1  0.29985000  0.56888800  0.29985000  1
  Zn  Zn27  1  0.83141300  0.29985000  0.56888800  1
  Zn  Zn28  1  0.56888800  0.29985000  0.83141300  1
  Zn  Zn29  1  0.29985000  0.83141300  0.29985000  1
  Zn  Zn30  1  0.68111200  0.95015000  0.95015000  1
  Zn  Zn31  1  0.95015000  0.68111200  0.41858700  1
  Zn  Zn32  1  0.95015000  0.41858700  0.68111200  1
  Zn  Zn33  1  0.41858700  0.95015000  0.95015000  1
  Zn  Zn34  1  0.95015000  0.95015000  0.68111200  1
  Zn  Zn35  1  0.68111200  0.41858700  0.95015000  1
  Zn  Zn36  1  0.41858700  0.68111200  0.95015000  1
  Zn  Zn37  1  0.95015000  0.95015000  0.41858700  1
  Zn  Zn38  1  0.95015000  0.68111200  0.95015000  1
  Zn  Zn39  1  0.41858700  0.95015000  0.68111200  1
  Zn  Zn40  1  0.68111200  0.95015000  0.41858700  1
  Zn  Zn41  1  0.95015000  0.41858700  0.95015000  1
  Co  Co42  1  0.62500000  0.12500000  0.12500000  1
  Co  Co43  1  0.12500000  0.62500000  0.12500000  1
  Co  Co44  1  0.12500000  0.12500000  0.62500000  1
  Co  Co45  1  0.12500000  0.12500000  0.12500000  1