Li12Ge7
传统材料 TRAMP-ID: mp-1212365 · 空间群: Pnma (#62)
基础信息
化学式
Li12Ge7
MP-ID
mp-1212365
元素数
2
位点数
152
密度
3.0259
g/cm³
体积
2,597.99
ų
晶胞参数 a
8.8076
Å
晶胞参数 b
14.6538
Å
晶胞参数 c
20.1294
Å
α 角
90.00
°
β 角
90.00
°
γ 角
90.00
°
空间群
Pnma
点群
mmm
晶体系统
Orthorhombic
Bravais 格子
oP
稳定性
No
堆积分数
-
能量属性
形成能/原子
-0.31990
eV/atom
能量/原子
-3.22876
eV/atom
凸包距离
0.0068
eV/atom
未修正能量
-3.2288
eV/atom
体积/原子
17.09
ų
c/a 比
2.2855
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
0.0005
μB
磁有序
NM
磁性位点数
0
磁化强度/体积
0.000000
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
Li · 0.632
元素家族
N/A
溶质分数
0.368
间隙分数
0.000
ROM 混合特征雷达
评级与分类
评级 Tier
A
评分
0.678
家族
Binary Alloy
基质元素
Li · 0.632
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-1212365
参考引用
The crystal structure and related material properties of Li12Ge7 were obtained from the Materials Project database (MP-ID: mp-1212365, 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
|
拖拽旋转 · 滚轮缩放 · 右键平移
原始 CIF 数据
# generated using pymatgen
data_Li12Ge7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.80761884
_cell_length_b 14.65374768
_cell_length_c 20.12935861
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Li12Ge7
_chemical_formula_sum 'Li96 Ge56'
_cell_volume 2597.98810324
_cell_formula_units_Z 8
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
Li Li0 1 0.87857587 0.34071998 0.83496206 1.0
Li Li1 1 0.12142413 0.65928002 0.16503794 1.0
Li Li2 1 0.62142413 0.84071998 0.16503794 1.0
Li Li3 1 0.12142413 0.65928002 0.33496206 1.0
Li Li4 1 0.37857587 0.15928002 0.83496206 1.0
Li Li5 1 0.87857587 0.34071998 0.66503794 1.0
Li Li6 1 0.37857587 0.15928002 0.66503794 1.0
Li Li7 1 0.62142413 0.84071998 0.33496206 1.0
Li Li8 1 0.62615530 0.64031297 0.35394936 1.0
Li Li9 1 0.37384470 0.35968703 0.64605064 1.0
Li Li10 1 0.87384470 0.14031297 0.64605064 1.0
Li Li11 1 0.37384470 0.35968703 0.85394936 1.0
Li Li12 1 0.12615530 0.85968703 0.35394936 1.0
Li Li13 1 0.62615530 0.64031297 0.14605064 1.0
Li Li14 1 0.12615530 0.85968703 0.14605064 1.0
Li Li15 1 0.87384470 0.14031297 0.85394936 1.0
Li Li16 1 0.88897292 0.65589217 0.81327012 1.0
Li Li17 1 0.11102708 0.34410783 0.18672988 1.0
Li Li18 1 0.61102708 0.15589217 0.18672988 1.0
Li Li19 1 0.11102708 0.34410783 0.31327012 1.0
Li Li20 1 0.38897292 0.84410783 0.81327012 1.0
Li Li21 1 0.88897292 0.65589217 0.68672988 1.0
Li Li22 1 0.38897292 0.84410783 0.68672988 1.0
Li Li23 1 0.61102708 0.15589217 0.31327012 1.0
Li Li24 1 0.62939256 0.73605428 0.88725629 1.0
Li Li25 1 0.37060744 0.26394572 0.11274371 1.0
Li Li26 1 0.87060744 0.23605428 0.11274371 1.0
Li Li27 1 0.37060744 0.26394572 0.38725629 1.0
Li Li28 1 0.12939256 0.76394572 0.88725629 1.0
Li Li29 1 0.62939256 0.73605428 0.61274371 1.0
Li Li30 1 0.12939256 0.76394572 0.61274371 1.0
Li Li31 1 0.87060744 0.23605428 0.38725629 1.0
Li Li32 1 0.62935417 0.93296138 0.97271212 1.0
Li Li33 1 0.37064583 0.06703862 0.02728788 1.0
Li Li34 1 0.87064583 0.43296138 0.02728788 1.0
Li Li35 1 0.37064583 0.06703862 0.47271212 1.0
Li Li36 1 0.12935417 0.56703862 0.97271212 1.0
Li Li37 1 0.62935417 0.93296138 0.52728788 1.0
Li Li38 1 0.12935417 0.56703862 0.52728788 1.0
Li Li39 1 0.87064583 0.43296138 0.47271212 1.0
Li Li40 1 0.66149191 0.16871143 0.75000000 1.0
Li Li41 1 0.33850809 0.83128857 0.25000000 1.0
Li Li42 1 0.83850809 0.66871143 0.25000000 1.0
Li Li43 1 0.16149191 0.33128857 0.75000000 1.0
Li Li44 1 0.83877343 0.50550207 0.88688405 1.0
Li Li45 1 0.16122657 0.49449793 0.11311595 1.0
Li Li46 1 0.66122657 0.00550207 0.11311595 1.0
Li Li47 1 0.16122657 0.49449793 0.38688405 1.0
Li Li48 1 0.33877343 0.99449793 0.88688405 1.0
Li Li49 1 0.83877343 0.50550207 0.61311595 1.0
Li Li50 1 0.33877343 0.99449793 0.61311595 1.0
Li Li51 1 0.66122657 0.00550207 0.38688405 1.0
Li Li52 1 0.62793701 0.75730201 0.46858725 1.0
Li Li53 1 0.37206299 0.24269799 0.53141275 1.0
Li Li54 1 0.87206299 0.25730201 0.53141275 1.0
Li Li55 1 0.37206299 0.24269799 0.96858725 1.0
Li Li56 1 0.12793701 0.74269799 0.46858725 1.0
Li Li57 1 0.62793701 0.75730201 0.03141275 1.0
Li Li58 1 0.12793701 0.74269799 0.03141275 1.0
Li Li59 1 0.87206299 0.25730201 0.96858725 1.0
Li Li60 1 0.63682021 0.97764176 0.82776916 1.0
Li Li61 1 0.36317979 0.02235824 0.17223084 1.0
Li Li62 1 0.86317979 0.47764176 0.17223084 1.0
Li Li63 1 0.36317979 0.02235824 0.32776916 1.0
Li Li64 1 0.13682021 0.52235824 0.82776916 1.0
Li Li65 1 0.63682021 0.97764176 0.67223084 1.0
Li Li66 1 0.13682021 0.52235824 0.67223084 1.0
Li Li67 1 0.86317979 0.47764176 0.32776916 1.0
Li Li68 1 0.99157402 0.97379405 0.87442612 1.0
Li Li69 1 0.00842598 0.02620595 0.12557388 1.0
Li Li70 1 0.50842598 0.47379405 0.12557388 1.0
Li Li71 1 0.00842598 0.02620595 0.37442612 1.0
Li Li72 1 0.49157402 0.52620595 0.87442612 1.0
Li Li73 1 0.99157402 0.97379405 0.62557388 1.0
Li Li74 1 0.49157402 0.52620595 0.62557388 1.0
Li Li75 1 0.50842598 0.47379405 0.37442612 1.0
Li Li76 1 0.86241331 0.83920246 0.81168710 1.0
Li Li77 1 0.13758669 0.16079754 0.18831290 1.0
Li Li78 1 0.63758669 0.33920246 0.18831290 1.0
Li Li79 1 0.13758669 0.16079754 0.31168710 1.0
Li Li80 1 0.36241331 0.66079754 0.81168710 1.0
Li Li81 1 0.86241331 0.83920246 0.68831290 1.0
Li Li82 1 0.36241331 0.66079754 0.68831290 1.0
Li Li83 1 0.63758669 0.33920246 0.31168710 1.0
Li Li84 1 0.61422031 0.36974525 0.75000000 1.0
Li Li85 1 0.38577969 0.63025475 0.25000000 1.0
Li Li86 1 0.88577969 0.86974525 0.25000000 1.0
Li Li87 1 0.11422031 0.13025475 0.75000000 1.0
Li Li88 1 0.63190551 0.56788186 0.99542845 1.0
Li Li89 1 0.36809449 0.43211814 0.00457155 1.0
Li Li90 1 0.86809449 0.06788186 0.00457155 1.0
Li Li91 1 0.36809449 0.43211814 0.49542845 1.0
Li Li92 1 0.13190551 0.93211814 0.99542845 1.0
Li Li93 1 0.63190551 0.56788186 0.50457155 1.0
Li Li94 1 0.13190551 0.93211814 0.50457155 1.0
Li Li95 1 0.86809449 0.06788186 0.49542845 1.0
Ge Ge96 1 0.88132521 0.66360229 0.94686314 1.0
Ge Ge97 1 0.11867479 0.33639771 0.05313686 1.0
Ge Ge98 1 0.61867479 0.16360229 0.05313686 1.0
Ge Ge99 1 0.11867479 0.33639771 0.44686314 1.0
Ge Ge100 1 0.38132521 0.83639771 0.94686314 1.0
Ge Ge101 1 0.88132521 0.66360229 0.55313686 1.0
Ge Ge102 1 0.38132521 0.83639771 0.55313686 1.0
Ge Ge103 1 0.61867479 0.16360229 0.44686314 1.0
Ge Ge104 1 0.88464953 0.48637860 0.75000000 1.0
Ge Ge105 1 0.11535047 0.51362140 0.25000000 1.0
Ge Ge106 1 0.61535047 0.98637860 0.25000000 1.0
Ge Ge107 1 0.38464953 0.01362140 0.75000000 1.0
Ge Ge108 1 0.87423244 0.75224713 0.36415135 1.0
Ge Ge109 1 0.12576756 0.24775287 0.63584865 1.0
Ge Ge110 1 0.62576756 0.25224713 0.63584865 1.0
Ge Ge111 1 0.12576756 0.24775287 0.86415135 1.0
Ge Ge112 1 0.37423244 0.74775287 0.36415135 1.0
Ge Ge113 1 0.87423244 0.75224713 0.13584865 1.0
Ge Ge114 1 0.37423244 0.74775287 0.13584865 1.0
Ge Ge115 1 0.62576756 0.25224713 0.86415135 1.0
Ge Ge116 1 0.86974613 0.88987165 0.43799324 1.0
Ge Ge117 1 0.13025387 0.11012835 0.56200676 1.0
Ge Ge118 1 0.63025387 0.38987165 0.56200676 1.0
Ge Ge119 1 0.13025387 0.11012835 0.93799324 1.0
Ge Ge120 1 0.36974613 0.61012835 0.43799324 1.0
Ge Ge121 1 0.86974613 0.88987165 0.06200676 1.0
Ge Ge122 1 0.36974613 0.61012835 0.06200676 1.0
Ge Ge123 1 0.63025387 0.38987165 0.93799324 1.0
Ge Ge124 1 0.88046529 0.83471480 0.94419368 1.0
Ge Ge125 1 0.11953471 0.16528520 0.05580632 1.0
Ge Ge126 1 0.61953471 0.33471480 0.05580632 1.0
Ge Ge127 1 0.11953471 0.16528520 0.44419368 1.0
Ge Ge128 1 0.38046529 0.66528520 0.94419368 1.0
Ge Ge129 1 0.88046529 0.83471480 0.55580632 1.0
Ge Ge130 1 0.38046529 0.66528520 0.55580632 1.0
Ge Ge131 1 0.61953471 0.33471480 0.44419368 1.0
Ge Ge132 1 0.62690446 0.74456826 0.75000000 1.0
Ge Ge133 1 0.37309554 0.25543174 0.25000000 1.0
Ge Ge134 1 0.87309554 0.24456826 0.25000000 1.0
Ge Ge135 1 0.12690446 0.75543174 0.75000000 1.0
Ge Ge136 1 0.63203617 0.57066562 0.75000000 1.0
Ge Ge137 1 0.36796383 0.42933438 0.25000000 1.0
Ge Ge138 1 0.86796383 0.07066562 0.25000000 1.0
Ge Ge139 1 0.13203617 0.92933438 0.75000000 1.0
Ge Ge140 1 0.89172904 0.61005623 0.43354027 1.0
Ge Ge141 1 0.10827096 0.38994377 0.56645973 1.0
Ge Ge142 1 0.60827096 0.11005623 0.56645973 1.0
Ge Ge143 1 0.10827096 0.38994377 0.93354027 1.0
Ge Ge144 1 0.39172904 0.88994377 0.43354027 1.0
Ge Ge145 1 0.89172904 0.61005623 0.06645973 1.0
Ge Ge146 1 0.39172904 0.88994377 0.06645973 1.0
Ge Ge147 1 0.60827096 0.11005623 0.93354027 1.0
Ge Ge148 1 0.37657937 0.48978010 0.75000000 1.0
Ge Ge149 1 0.62342063 0.51021990 0.25000000 1.0
Ge Ge150 1 0.12342063 0.98978010 0.25000000 1.0
Ge Ge151 1 0.87657937 0.01021990 0.75000000 1.0