RbNa2Ge17

HEA 稳定

MP-ID: mp-16126 · 空间群: Fd-3m (#227)

Materials Project API

基础信息

化学式
RbNa2Ge17
MP-ID
mp-16126
元素数
3
位点数
40
密度
4.8407
g/cm³
体积
937.40
ų
晶胞参数 a
10.9853
Å
晶胞参数 b
10.9853
Å
晶胞参数 c
10.9853
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
-0.06670
eV/atom
能量/原子
-4.17947
eV/atom
凸包距离
0.0000
eV/atom
未修正能量
-12.9083
eV/atom
体积/原子
23.43
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
N/A

磁性属性

磁性
No
总磁矩 (μB)
0.0000
磁有序
NM
磁性位点数
0
磁化强度/体积 (μB/ų)
0.00e+0

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-16126
关联任务 ID (6 个)
mp-16126 mp-997686 mp-2766297 mp-1847243 mp-2766074 mp-1369196

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_RbNa2Ge17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.98525025
_cell_length_b   10.98524892
_cell_length_c   10.98525395
_cell_angle_alpha   60.00084970
_cell_angle_beta   60.00084416
_cell_angle_gamma   60.00084376
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RbNa2Ge17
_chemical_formula_sum   'Rb2 Na4 Ge34'
_cell_volume   937.39641699
_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
  Rb  Rb0  1  0.25000035  0.24999958  0.25000057  1
  Rb  Rb1  1  -0.00000043  0.00000022  -0.00000019  1
  Na  Na2  1  0.12500036  0.62499981  0.62499993  1
  Na  Na3  1  0.62499989  0.62499988  0.12500040  1
  Na  Na4  1  0.62499984  0.12500038  0.62499986  1
  Na  Na5  1  0.62499963  0.62500011  0.62499975  1
  Ge  Ge6  1  0.38967764  0.99559257  0.61913434  1
  Ge  Ge7  1  0.38967752  0.99559406  0.99559354  1
  Ge  Ge8  1  0.61913772  0.99559248  0.99559269  1
  Ge  Ge9  1  0.86032217  0.63086405  0.25440827  1
  Ge  Ge10  1  0.25440813  0.63086126  0.25440820  1
  Ge  Ge11  1  0.63086411  0.25440811  0.86032213  1
  Ge  Ge12  1  0.25440704  0.25440698  0.86032248  1
  Ge  Ge13  1  0.63086423  0.86032202  0.25440820  1
  Ge  Ge14  1  0.86032199  0.25440843  0.63086414  1
  Ge  Ge15  1  0.25440807  0.25440794  0.63086104  1
  Ge  Ge16  1  0.25440715  0.86032279  0.25440704  1
  Ge  Ge17  1  0.61913400  0.99559261  0.38967778  1
  Ge  Ge18  1  0.99559371  0.99559419  0.38967743  1
  Ge  Ge19  1  0.99559248  0.38967795  0.61913421  1
  Ge  Ge20  1  0.99559267  0.61913405  0.38967781  1
  Ge  Ge21  1  0.38967789  0.61913432  0.99559232  1
  Ge  Ge22  1  0.99559276  0.61913766  0.99559282  1
  Ge  Ge23  1  0.86032279  0.25440718  0.25440690  1
  Ge  Ge24  1  0.63086081  0.25440807  0.25440802  1
  Ge  Ge25  1  0.25440831  0.86032204  0.63086407  1
  Ge  Ge26  1  0.40716554  0.77850223  0.40716532  1
  Ge  Ge27  1  0.84283463  0.84283479  0.47149783  1
  Ge  Ge28  1  0.47149764  0.84283488  0.84283463  1
  Ge  Ge29  1  0.84283197  0.84283206  0.84283219  1
  Ge  Ge30  1  0.77850211  0.40716540  0.40716535  1
  Ge  Ge31  1  0.40716793  0.40716797  0.40716814  1
  Ge  Ge32  1  0.40716531  0.40716539  0.77850200  1
  Ge  Ge33  1  0.84283474  0.47149762  0.84283474  1
  Ge  Ge34  1  0.49999942  0.49999940  0.49999939  1
  Ge  Ge35  1  0.75000053  0.75000075  0.75000077  1
  Ge  Ge36  1  0.61913430  0.38967758  0.99559271  1
  Ge  Ge37  1  0.99559252  0.99559278  0.61913774  1
  Ge  Ge38  1  0.25440844  0.63086418  0.86032179  1
  Ge  Ge39  1  0.99559410  0.38967724  0.99559365  1