Ge23Mo13
传统材料 TRAMP-ID: mp-569901 · 空间群: P-4n2 (#118)
基础信息
化学式
Ge23Mo13
MP-ID
mp-569901
元素数
2
位点数
144
密度
8.3040
g/cm³
体积
2,333.97
ų
晶胞参数 a
6.0327
Å
晶胞参数 b
6.0327
Å
晶胞参数 c
64.1307
Å
α 角
90.00
°
β 角
90.00
°
γ 角
90.00
°
空间群
P-4n2
点群
-42m
晶体系统
Tetragonal
Bravais 格子
tP
稳定性
No
堆积分数
-
能量属性
形成能/原子
-0.11388
eV/atom
能量/原子
-18.39141
eV/atom
凸包距离
0.0373
eV/atom
未修正能量
-6.9980
eV/atom
体积/原子
16.21
ų
c/a 比
10.6305
电子属性
金属性
金属
带隙
0
eV
直接带隙
No
CBM
N/A
eV
磁性属性
磁性
No
总磁矩
0.0355
μB
磁有序
NM
磁性位点数
0
磁化强度/体积
0.000020
μB/ų
弹性属性
弹性数据暂不开放
特征分析
元素组成（原子分数）
组成信息
主元 / 基质元素
Ge · 0.639
元素家族
N/A
溶质分数
0.361
间隙分数
0.000
ROM 混合特征雷达
评级与分类
评级 Tier
A
评分
0.662
家族
Binary Alloy
基质元素
Ge · 0.639
关联任务
关联的计算任务 ID（1 个）
引用参考
Materials Project 官方页面
https://materialsproject.org/materials/mp-569901
参考引用
The crystal structure and related material properties of Ge23Mo13 were obtained from the Materials Project database (MP-ID: mp-569901, database version v2026.04.13).
文献引用
Horton, M.K., Huck, P., Yang, R.X. et al. Accelerated data-driven materials science with the Materials Project. Nat. Mater. 24, 1522–1532 (2025). https://doi.org/10.1038/s41563-025-02272-0
晶体结构 3D 渲染
加载 3D 结构...
样式: Ball & Stick
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原始 CIF 数据
# generated using pymatgen
data_Ge23Mo13
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.03274300
_cell_length_b 6.03274300
_cell_length_c 64.13074300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ge23Mo13
_chemical_formula_sum 'Ge92 Mo52'
_cell_volume 2333.97349785
_cell_formula_units_Z 4
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
Ge Ge0 1 0.16408800 0.84336300 0.42359100 1.0
Ge Ge1 1 0.20606700 0.14977100 0.96612800 1.0
Ge Ge2 1 0.81089400 0.14936400 0.11825700 1.0
Ge Ge3 1 0.83097300 0.65378700 0.40282000 1.0
Ge Ge4 1 0.28400100 0.14993100 0.35972400 1.0
Ge Ge5 1 0.34932100 0.25420700 0.83704800 1.0
Ge Ge6 1 0.78400100 0.35006900 0.85972400 1.0
Ge Ge7 1 0.84950500 0.77510100 0.18563600 1.0
Ge Ge8 1 0.15067900 0.75420700 0.33704800 1.0
Ge Ge9 1 0.85071000 0.69700100 0.79207800 1.0
Ge Ge10 1 0.35006900 0.21599900 0.14027600 1.0
Ge Ge11 1 0.14936400 0.18910600 0.88174300 1.0
Ge Ge12 1 0.65378700 0.16902700 0.59718000 1.0
Ge Ge13 1 0.32542400 0.65156900 0.77078700 1.0
Ge Ge14 1 0.65067900 0.74579300 0.83704800 1.0
Ge Ge15 1 0.34950500 0.72489900 0.68563600 1.0
Ge Ge16 1 0.19700100 0.35071000 0.70792200 1.0
Ge Ge17 1 0.68143700 0.84986800 0.05552000 1.0
Ge Ge18 1 0.35022900 0.29393300 0.53387200 1.0
Ge Ge19 1 0.64929000 0.19700100 0.29207800 1.0
Ge Ge20 1 0.27510100 0.34950500 0.31436400 1.0
Ge Ge21 1 0.84336300 0.83591200 0.57640900 1.0
Ge Ge22 1 0.72489900 0.65049500 0.31436400 1.0
Ge Ge23 1 0.69700100 0.14929000 0.20792200 1.0
Ge Ge24 1 0.22489900 0.84950500 0.81436400 1.0
Ge Ge25 1 0.84932100 0.24579300 0.33704800 1.0
Ge Ge26 1 0.65036800 0.23486300 0.98859800 1.0
Ge Ge27 1 0.18143700 0.65013200 0.55552000 1.0
Ge Ge28 1 0.84963200 0.73486300 0.48859800 1.0
Ge Ge29 1 0.85006900 0.28400100 0.64027600 1.0
Ge Ge30 1 0.66408800 0.65663700 0.92359100 1.0
Ge Ge31 1 0.75420700 0.84932100 0.66295200 1.0
Ge Ge32 1 0.80299900 0.64929000 0.70792200 1.0
Ge Ge33 1 0.24579300 0.15067900 0.66295200 1.0
Ge Ge34 1 0.64977100 0.70606700 0.53387200 1.0
Ge Ge35 1 0.79393300 0.85022900 0.96612800 1.0
Ge Ge36 1 0.15049500 0.22489900 0.18563600 1.0
Ge Ge37 1 0.84843100 0.17457600 0.72921300 1.0
Ge Ge38 1 0.15987700 0.65987700 0.25000000 1.0
Ge Ge39 1 0.34843100 0.32542400 0.22921300 1.0
Ge Ge40 1 0.82542400 0.84843100 0.27078700 1.0
Ge Ge41 1 0.65013200 0.81856300 0.44448000 1.0
Ge Ge42 1 0.23486300 0.34963200 0.01140200 1.0
Ge Ge43 1 0.15663700 0.16408800 0.57640900 1.0
Ge Ge44 1 0.70606700 0.35022900 0.46612800 1.0
Ge Ge45 1 0.34963200 0.76513700 0.98859800 1.0
Ge Ge46 1 0.17457600 0.15156900 0.27078700 1.0
Ge Ge47 1 0.29393300 0.64977100 0.46612800 1.0
Ge Ge48 1 0.66902700 0.15378700 0.90282000 1.0
Ge Ge49 1 0.73486300 0.15036800 0.51140200 1.0
Ge Ge50 1 0.34621300 0.83097300 0.59718000 1.0
Ge Ge51 1 0.85063600 0.81089400 0.88174300 1.0
Ge Ge52 1 0.81856300 0.34986800 0.55552000 1.0
Ge Ge53 1 0.34336300 0.66408800 0.07640900 1.0
Ge Ge54 1 0.83591200 0.15663700 0.42359100 1.0
Ge Ge55 1 0.15036800 0.26513700 0.48859800 1.0
Ge Ge56 1 0.25420700 0.65067900 0.16295200 1.0
Ge Ge57 1 0.74579300 0.34932100 0.16295200 1.0
Ge Ge58 1 0.84986800 0.31856300 0.94448000 1.0
Ge Ge59 1 0.15156900 0.82542400 0.72921300 1.0
Ge Ge60 1 0.15378700 0.33097300 0.09718000 1.0
Ge Ge61 1 0.67457600 0.34843100 0.77078700 1.0
Ge Ge62 1 0.77510100 0.15049500 0.81436400 1.0
Ge Ge63 1 0.16902700 0.34621300 0.40282000 1.0
Ge Ge64 1 0.71599900 0.85006900 0.35972400 1.0
Ge Ge65 1 0.21599900 0.64993100 0.85972400 1.0
Ge Ge66 1 0.30299900 0.85071000 0.20792200 1.0
Ge Ge67 1 0.33591200 0.34336300 0.92359100 1.0
Ge Ge68 1 0.76513700 0.65036800 0.01140200 1.0
Ge Ge69 1 0.34012300 0.15987700 0.75000000 1.0
Ge Ge70 1 0.31089400 0.35063600 0.61825700 1.0
Ge Ge71 1 0.26513700 0.84963200 0.51140200 1.0
Ge Ge72 1 0.64936400 0.31089400 0.38174300 1.0
Ge Ge73 1 0.15013200 0.68143700 0.94448000 1.0
Ge Ge74 1 0.35063600 0.68910600 0.38174300 1.0
Ge Ge75 1 0.18910600 0.85063600 0.11825700 1.0
Ge Ge76 1 0.85022900 0.20606700 0.03387200 1.0
Ge Ge77 1 0.33097300 0.84621300 0.90282000 1.0
Ge Ge78 1 0.14929000 0.30299900 0.79207800 1.0
Ge Ge79 1 0.14993100 0.71599900 0.64027600 1.0
Ge Ge80 1 0.68910600 0.64936400 0.61825700 1.0
Ge Ge81 1 0.65049500 0.27510100 0.68563600 1.0
Ge Ge82 1 0.35071000 0.80299900 0.29207800 1.0
Ge Ge83 1 0.65987700 0.84012300 0.75000000 1.0
Ge Ge84 1 0.31856300 0.15013200 0.05552000 1.0
Ge Ge85 1 0.65663700 0.33591200 0.07640900 1.0
Ge Ge86 1 0.84012300 0.34012300 0.25000000 1.0
Ge Ge87 1 0.84621300 0.66902700 0.09718000 1.0
Ge Ge88 1 0.65156900 0.67457600 0.22921300 1.0
Ge Ge89 1 0.64993100 0.78400100 0.14027600 1.0
Ge Ge90 1 0.34986800 0.18143700 0.44448000 1.0
Ge Ge91 1 0.14977100 0.79393300 0.03387200 1.0
Mo Mo92 1 0.00000000 0.50000000 0.82662700 1.0
Mo Mo93 1 0.50000000 0.00000000 0.17337300 1.0
Mo Mo94 1 0.50000000 0.00000000 0.78690600 1.0
Mo Mo95 1 0.50000000 0.50000000 0.03988300 1.0
Mo Mo96 1 0.00000000 0.00000000 0.76776200 1.0
Mo Mo97 1 0.00000000 0.00000000 0.46011700 1.0
Mo Mo98 1 0.50000000 0.50000000 0.42247800 1.0
Mo Mo99 1 0.50000000 0.00000000 0.86660600 1.0
Mo Mo100 1 0.00000000 0.00000000 0.84668500 1.0
Mo Mo101 1 0.00000000 0.00000000 0.23223800 1.0
Mo Mo102 1 0.50000000 0.00000000 0.63339400 1.0
Mo Mo103 1 0.00000000 0.50000000 0.21309400 1.0
Mo Mo104 1 0.00000000 0.50000000 0.36660600 1.0
Mo Mo105 1 0.50000000 0.50000000 0.65331500 1.0
Mo Mo106 1 0.00000000 0.00000000 0.30666300 1.0
Mo Mo107 1 0.00000000 0.50000000 0.13339400 1.0
Mo Mo108 1 0.50000000 0.50000000 0.73223800 1.0
Mo Mo109 1 0.50000000 0.00000000 0.32662700 1.0
Mo Mo110 1 0.50000000 0.00000000 0.25000000 1.0
Mo Mo111 1 0.00000000 0.50000000 0.67337300 1.0
Mo Mo112 1 0.00000000 0.00000000 0.07752200 1.0
Mo Mo113 1 0.50000000 0.50000000 0.11374100 1.0
Mo Mo114 1 0.00000000 0.50000000 0.75000000 1.0
Mo Mo115 1 0.50000000 0.50000000 0.57752200 1.0
Mo Mo116 1 0.00000000 0.00000000 0.15331500 1.0
Mo Mo117 1 0.50000000 0.00000000 0.09503100 1.0
Mo Mo118 1 0.00000000 0.50000000 0.44071100 1.0
Mo Mo119 1 0.00000000 0.50000000 0.05928900 1.0
Mo Mo120 1 0.50000000 0.00000000 0.02000200 1.0
Mo Mo121 1 0.50000000 0.50000000 0.88625900 1.0
Mo Mo122 1 0.50000000 0.00000000 0.94071100 1.0
Mo Mo123 1 0.50000000 0.50000000 0.34668500 1.0
Mo Mo124 1 0.50000000 0.50000000 0.96011700 1.0
Mo Mo125 1 0.00000000 0.50000000 0.97999800 1.0
Mo Mo126 1 0.00000000 0.50000000 0.59503100 1.0
Mo Mo127 1 0.50000000 0.50000000 0.26776200 1.0
Mo Mo128 1 0.50000000 0.50000000 0.80666300 1.0
Mo Mo129 1 0.00000000 0.00000000 0.00000000 1.0
Mo Mo130 1 0.00000000 0.00000000 0.69333700 1.0
Mo Mo131 1 0.50000000 0.00000000 0.71309400 1.0
Mo Mo132 1 0.00000000 0.50000000 0.90496900 1.0
Mo Mo133 1 0.00000000 0.50000000 0.52000200 1.0
Mo Mo134 1 0.00000000 0.00000000 0.53988300 1.0
Mo Mo135 1 0.50000000 0.00000000 0.55928900 1.0
Mo Mo136 1 0.00000000 0.50000000 0.28690600 1.0
Mo Mo137 1 0.50000000 0.00000000 0.40496900 1.0
Mo Mo138 1 0.50000000 0.00000000 0.47999800 1.0
Mo Mo139 1 0.50000000 0.50000000 0.19333700 1.0
Mo Mo140 1 0.00000000 0.00000000 0.61374100 1.0
Mo Mo141 1 0.50000000 0.50000000 0.50000000 1.0
Mo Mo142 1 0.00000000 0.00000000 0.92247800 1.0
Mo Mo143 1 0.00000000 0.00000000 0.38625900 1.0