K3Ga13
传统材料 TRAMP-ID: mp-680682 · 空间群: Cmcm (#63)
基础信息
化学式
K3Ga13
MP-ID
mp-680682
元素数
2
位点数
64
密度
4.6733
g/cm³
体积
1,454.99
ų
晶胞参数 a
6.4024
Å
晶胞参数 b
8.6551
Å
晶胞参数 c
28.2608
Å
α 角
90.00
°
β 角
90.00
°
γ 角
111.71
°
空间群
Cmcm
点群
mmm
晶体系统
Orthorhombic
Bravais 格子
oC
稳定性
Yes
堆积分数
-
能量属性
形成能/原子
-0.15181
eV/atom
能量/原子
-2.82427
eV/atom
凸包距离
0.0000
eV/atom
未修正能量
-2.8243
eV/atom
体积/原子
22.73
ų
c/a 比
4.4141
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
Yes
总磁矩
0.0000
μB
磁有序
Unknown
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
Ga · 0.813
元素家族
N/A
溶质分数
0.188
间隙分数
0.000
ROM 混合特征雷达
评级与分类
评级 Tier
A
评分
0.640
家族
Binary Alloy
基质元素
Ga · 0.813
关联任务
引用参考
Materials Project 官方页面
https://materialsproject.org/materials/mp-680682
参考引用
The crystal structure and related material properties of K3Ga13 were obtained from the Materials Project database (MP-ID: mp-680682, 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
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样式: Ball & Stick
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原始 CIF 数据
# generated using pymatgen
data_K3Ga13
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.40243350
_cell_length_b 8.65512330
_cell_length_c 28.26080679
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 111.70721068
_symmetry_Int_Tables_number 1
_chemical_formula_structural K3Ga13
_chemical_formula_sum 'K12 Ga52'
_cell_volume 1454.98602449
_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
K K0 1 0.21334800 0.42669700 0.58606814 1.0
K K1 1 0.78665200 0.57330300 0.41393186 1.0
K K2 1 0.36324541 0.72649182 0.82040671 1.0
K K3 1 0.98721405 0.97442810 0.86088611 1.0
K K4 1 0.63675459 0.27350818 0.32040671 1.0
K K5 1 0.36324541 0.72649182 0.67959329 1.0
K K6 1 0.01278595 0.02557190 0.36088611 1.0
K K7 1 0.01278595 0.02557190 0.13911389 1.0
K K8 1 0.21334800 0.42669700 0.91393186 1.0
K K9 1 0.98721405 0.97442810 0.63911389 1.0
K K10 1 0.63675459 0.27350818 0.17959329 1.0
K K11 1 0.78665200 0.57330300 0.08606814 1.0
Ga Ga12 1 0.20171516 0.40343233 0.07297936 1.0
Ga Ga13 1 0.24349711 0.09921672 0.53534564 1.0
Ga Ga14 1 0.40590436 0.21987281 0.04702604 1.0
Ga Ga15 1 0.97196123 0.34458843 0.79678685 1.0
Ga Ga16 1 0.74225861 0.48451721 0.84308084 1.0
Ga Ga17 1 0.34269487 0.68538873 0.03166066 1.0
Ga Ga18 1 0.59409564 0.78012719 0.95297396 1.0
Ga Ga19 1 0.24349711 0.09921672 0.96465436 1.0
Ga Ga20 1 0.85571761 0.09921672 0.53534564 1.0
Ga Ga21 1 0.85571761 0.09921672 0.96465436 1.0
Ga Ga22 1 0.81396845 0.21987281 0.04702604 1.0
Ga Ga23 1 0.79828484 0.59656767 0.92702064 1.0
Ga Ga24 1 0.34269487 0.68538873 0.46833934 1.0
Ga Ga25 1 0.40590436 0.21987281 0.45297396 1.0
Ga Ga26 1 0.77338707 0.54677614 0.75000000 1.0
Ga Ga27 1 0.25698384 0.93567660 0.25000000 1.0
Ga Ga28 1 0.18603155 0.78012719 0.54702604 1.0
Ga Ga29 1 0.25774139 0.51548279 0.15691916 1.0
Ga Ga30 1 0.75650289 0.90078328 0.03534564 1.0
Ga Ga31 1 0.51632674 0.03265248 0.91039297 1.0
Ga Ga32 1 0.37262721 0.34458843 0.79678685 1.0
Ga Ga33 1 0.65730513 0.31461127 0.96833934 1.0
Ga Ga34 1 0.14428239 0.90078328 0.46465436 1.0
Ga Ga35 1 0.57434994 0.14870088 0.82842598 1.0
Ga Ga36 1 0.75650289 0.90078328 0.46465436 1.0
Ga Ga37 1 0.14428239 0.90078328 0.03534564 1.0
Ga Ga38 1 0.42565006 0.85129912 0.17157402 1.0
Ga Ga39 1 0.92627147 0.85254294 0.75000000 1.0
Ga Ga40 1 0.74301616 0.06432340 0.75000000 1.0
Ga Ga41 1 0.65730513 0.31461127 0.53166066 1.0
Ga Ga42 1 0.37262721 0.34458843 0.70321315 1.0
Ga Ga43 1 0.02803877 0.65541157 0.29678685 1.0
Ga Ga44 1 0.67869275 0.93567660 0.25000000 1.0
Ga Ga45 1 0.51632674 0.03265248 0.58960703 1.0
Ga Ga46 1 0.22661293 0.45322386 0.25000000 1.0
Ga Ga47 1 0.20171516 0.40343233 0.42702064 1.0
Ga Ga48 1 0.62737279 0.65541157 0.20321315 1.0
Ga Ga49 1 0.18603155 0.78012719 0.95297396 1.0
Ga Ga50 1 0.48367326 0.96734752 0.41039297 1.0
Ga Ga51 1 0.59409564 0.78012719 0.54702604 1.0
Ga Ga52 1 0.32130725 0.06432340 0.75000000 1.0
Ga Ga53 1 0.57434994 0.14870088 0.67157402 1.0
Ga Ga54 1 0.79828484 0.59656767 0.57297936 1.0
Ga Ga55 1 0.48367326 0.96734752 0.08960703 1.0
Ga Ga56 1 0.25774139 0.51548279 0.34308084 1.0
Ga Ga57 1 0.81396845 0.21987281 0.45297396 1.0
Ga Ga58 1 0.02803877 0.65541157 0.20321315 1.0
Ga Ga59 1 0.07372853 0.14745706 0.25000000 1.0
Ga Ga60 1 0.42565006 0.85129912 0.32842598 1.0
Ga Ga61 1 0.74225861 0.48451721 0.65691916 1.0
Ga Ga62 1 0.97196123 0.34458843 0.70321315 1.0
Ga Ga63 1 0.62737279 0.65541157 0.29678685 1.0