基础信息
化学式
Yb3(GeAs2)2
MP-ID
mp-3317782
元素数
3
位点数
36
密度
7.4712
g/cm³
体积
857.11
ų
晶胞参数 a
17.7048
Å
晶胞参数 b
7.2150
Å
晶胞参数 c
7.2156
Å
α 角
68.42
°
β 角
90.00
°
γ 角
90.00
°
空间群
P2_1/c
点群
2/m
晶体系统
Monoclinic
Bravais 格子
mP
稳定性
No
堆积分数
-
能量属性
形成能/原子
-0.76043
eV/atom
能量/原子
-22.55623
eV/atom
凸包距离
0.4297
eV/atom
未修正能量
-22.5562
eV/atom
体积/原子
23.81
ų
c/a 比
0.4076
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
0.0001
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
As · 0.444
元素家族
N/A
溶质分数
0.556
间隙分数
0.000
ROM 混合特征雷达
评级与分类
评级 Tier
C
评分
0.234
家族
As-rich Multi-Component
基质元素
As · 0.444
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-3317782
参考引用
The crystal structure and related material properties of Yb3(GeAs2)2 were obtained from the Materials Project database (MP-ID: mp-3317782, 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_Yb3(GeAs2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 17.70480499
_cell_length_b 7.21500676
_cell_length_c 7.21562771
_cell_angle_alpha 68.41893678
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Yb3(GeAs2)2
_chemical_formula_sum 'Yb12 Ge8 As16'
_cell_volume 857.11159434
_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
Yb Yb0 1 0.31702702 0.48796728 0.22005028 1.0
Yb Yb1 1 0.81702702 0.01203272 0.77994972 1.0
Yb Yb2 1 0.68297298 0.51203272 0.77994972 1.0
Yb Yb3 1 0.18297298 0.98796728 0.22005028 1.0
Yb Yb4 1 0.05872604 0.48822952 0.25435960 1.0
Yb Yb5 1 0.55872604 0.01177048 0.74564040 1.0
Yb Yb6 1 0.94127396 0.51177048 0.74564040 1.0
Yb Yb7 1 0.44127396 0.98822952 0.25435960 1.0
Yb Yb8 1 0.56267224 0.49976643 0.26272476 1.0
Yb Yb9 1 0.06267224 0.00023357 0.73727524 1.0
Yb Yb10 1 0.43732776 0.50023357 0.73727524 1.0
Yb Yb11 1 0.93732776 0.99976643 0.26272476 1.0
Ge Ge12 1 0.87474236 0.46892123 0.20741181 1.0
Ge Ge13 1 0.37474236 0.03107877 0.79258819 1.0
Ge Ge14 1 0.12525764 0.53107877 0.79258819 1.0
Ge Ge15 1 0.62525764 0.96892123 0.20741181 1.0
Ge Ge16 1 0.74055402 0.08035166 0.31724680 1.0
Ge Ge17 1 0.24055402 0.41964834 0.68275320 1.0
Ge Ge18 1 0.25944598 0.91964834 0.68275320 1.0
Ge Ge19 1 0.75944598 0.58035166 0.31724680 1.0
As As20 1 0.55740717 0.25822543 0.00053202 1.0
As As21 1 0.05740717 0.24177457 0.99946798 1.0
As As22 1 0.44259283 0.74177457 0.99946798 1.0
As As23 1 0.94259283 0.75822543 0.00053202 1.0
As As24 1 0.81442661 0.27636007 0.02398834 1.0
As As25 1 0.31442661 0.22363993 0.97601166 1.0
As As26 1 0.18557339 0.72363993 0.97601166 1.0
As As27 1 0.68557339 0.77636007 0.02398834 1.0
As As28 1 0.93575218 0.25188093 0.50734024 1.0
As As29 1 0.43575218 0.24811907 0.49265976 1.0
As As30 1 0.06424782 0.74811907 0.49265976 1.0
As As31 1 0.56424782 0.75188093 0.50734024 1.0
As As32 1 0.69456202 0.26890926 0.51733567 1.0
As As33 1 0.19456202 0.23109074 0.48266433 1.0
As As34 1 0.30543798 0.73109074 0.48266433 1.0
As As35 1 0.80543798 0.76890926 0.51733567 1.0
