Cr11Ge19
传统材料 TRAMP-ID: mp-579963 · 空间群: P-4n2 (#118)
基础信息
化学式
Cr11Ge19
MP-ID
mp-579963
元素数
2
位点数
120
密度
7.3525
g/cm³
体积
1,763.52
ų
晶胞参数 a
5.8029
Å
晶胞参数 b
5.8029
Å
晶胞参数 c
52.3711
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
0.04354
eV/atom
能量/原子
-14.26894
eV/atom
凸包距离
0.0435
eV/atom
未修正能量
-6.4786
eV/atom
体积/原子
14.70
ų
c/a 比
9.0250
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
44.1546
μB
磁有序
FM
磁性位点数
44
磁化强度/体积
0.025040
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 · 0.633
元素家族
N/A
溶质分数
0.367
间隙分数
0.000
ROM 混合特征雷达
评级与分类
评级 Tier
A
评分
0.655
家族
Binary Alloy
基质元素
Ge · 0.633
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-579963
参考引用
The crystal structure and related material properties of Cr11Ge19 were obtained from the Materials Project database (MP-ID: mp-579963, 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_Cr11Ge19
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.80288777
_cell_length_b 5.80288777
_cell_length_c 52.37109513
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Cr11Ge19
_chemical_formula_sum 'Cr44 Ge76'
_cell_volume 1763.51841076
_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
Cr Cr0 1 0.00000000 0.50000000 0.52377061 1.0
Cr Cr1 1 0.50000000 0.00000000 0.38766835 1.0
Cr Cr2 1 0.50000000 0.50000000 0.86491185 1.0
Cr Cr3 1 0.00000000 0.00000000 0.54685400 1.0
Cr Cr4 1 0.50000000 0.50000000 0.40945955 1.0
Cr Cr5 1 0.00000000 0.50000000 0.06890765 1.0
Cr Cr6 1 0.50000000 0.00000000 0.93109235 1.0
Cr Cr7 1 0.00000000 0.50000000 0.88766835 1.0
Cr Cr8 1 0.50000000 0.00000000 0.47622939 1.0
Cr Cr9 1 0.00000000 0.50000000 0.15870873 1.0
Cr Cr10 1 0.50000000 0.50000000 0.59054045 1.0
Cr Cr11 1 0.50000000 0.50000000 0.04685400 1.0
Cr Cr12 1 0.00000000 0.00000000 0.90945955 1.0
Cr Cr13 1 0.00000000 0.00000000 0.45314600 1.0
Cr Cr14 1 0.00000000 0.00000000 0.36491185 1.0
Cr Cr15 1 0.00000000 0.50000000 0.61233165 1.0
Cr Cr16 1 0.50000000 0.00000000 0.56890765 1.0
Cr Cr17 1 0.50000000 0.50000000 0.95314600 1.0
Cr Cr18 1 0.00000000 0.00000000 0.63508815 1.0
Cr Cr19 1 0.00000000 0.50000000 0.97622939 1.0
Cr Cr20 1 0.50000000 0.50000000 0.77173187 1.0
Cr Cr21 1 0.50000000 0.00000000 0.75000000 1.0
Cr Cr22 1 0.00000000 0.50000000 0.79404219 1.0
Cr Cr23 1 0.50000000 0.50000000 0.22826813 1.0
Cr Cr24 1 0.00000000 0.50000000 0.34129127 1.0
Cr Cr25 1 0.50000000 0.00000000 0.02377061 1.0
Cr Cr26 1 0.50000000 0.00000000 0.11233165 1.0
Cr Cr27 1 0.00000000 0.00000000 0.81748732 1.0
Cr Cr28 1 0.00000000 0.50000000 0.43109235 1.0
Cr Cr29 1 0.50000000 0.00000000 0.84129127 1.0
Cr Cr30 1 0.00000000 0.00000000 0.00000000 1.0
Cr Cr31 1 0.50000000 0.50000000 0.50000000 1.0
Cr Cr32 1 0.50000000 0.00000000 0.20595781 1.0
Cr Cr33 1 0.50000000 0.50000000 0.13508815 1.0
Cr Cr34 1 0.50000000 0.00000000 0.65870873 1.0
Cr Cr35 1 0.50000000 0.00000000 0.29404219 1.0
Cr Cr36 1 0.50000000 0.50000000 0.68251268 1.0
Cr Cr37 1 0.00000000 0.50000000 0.25000000 1.0
Cr Cr38 1 0.00000000 0.00000000 0.27173187 1.0
Cr Cr39 1 0.00000000 0.50000000 0.70595781 1.0
Cr Cr40 1 0.50000000 0.50000000 0.31748732 1.0
Cr Cr41 1 0.00000000 0.00000000 0.18251268 1.0
Cr Cr42 1 0.00000000 0.00000000 0.72826813 1.0
Cr Cr43 1 0.00000000 0.00000000 0.09054045 1.0
Ge Ge44 1 0.83809337 0.81006343 0.22395710 1.0
Ge Ge45 1 0.82900233 0.67099767 0.75000000 1.0
Ge Ge46 1 0.83603887 0.31738836 0.93399973 1.0
Ge Ge47 1 0.72479590 0.65840233 0.64439169 1.0
Ge Ge48 1 0.65770301 0.74454871 0.17116301 1.0
Ge Ge49 1 0.66190663 0.31006343 0.72395710 1.0
Ge Ge50 1 0.68261164 0.83603887 0.06600027 1.0
Ge Ge51 1 0.34176372 0.76510536 0.98664543 1.0
Ge Ge52 1 0.74454871 0.34229699 0.82883699 1.0
Ge Ge53 1 0.79362928 0.84040803 0.96015257 1.0
Ge Ge54 1 0.16060787 0.30211032 0.11808944 1.0
Ge Ge55 1 0.66060787 0.19788968 0.61808944 1.0
Ge Ge56 1 0.65932908 0.78464202 0.80229111 1.0
Ge Ge57 1 0.16190663 0.18993657 0.22395710 1.0
Ge Ge58 1 0.34040803 0.29362928 0.53984743 1.0
Ge Ge59 1 0.15823628 0.26510536 0.48664543 1.0
Ge Ge60 1 0.83321297 0.17626839 0.40801605 1.0
Ge Ge61 1 0.81006343 0.16190663 0.77604290 1.0
Ge Ge62 1 0.80211032 0.66060787 0.38191056 1.0
Ge Ge63 1 0.15959197 0.79362928 0.03984743 1.0
Ge Ge64 1 0.25545129 0.65770301 0.82883699 1.0
Ge Ge65 1 0.65959197 0.70637072 0.53984743 1.0
Ge Ge66 1 0.76510536 0.65823628 0.01335457 1.0
Ge Ge67 1 0.84159767 0.77520410 0.85560831 1.0
Ge Ge68 1 0.15770301 0.75545129 0.67116301 1.0
Ge Ge69 1 0.33321297 0.32373161 0.90801605 1.0
Ge Ge70 1 0.29362928 0.65959197 0.46015257 1.0
Ge Ge71 1 0.33603887 0.18261164 0.43399973 1.0
Ge Ge72 1 0.18993657 0.83809337 0.77604290 1.0
Ge Ge73 1 0.18261164 0.66396113 0.56600027 1.0
Ge Ge74 1 0.83939213 0.69788968 0.11808944 1.0
Ge Ge75 1 0.65840233 0.27520410 0.35560831 1.0
Ge Ge76 1 0.70637072 0.34040803 0.46015257 1.0
Ge Ge77 1 0.66678703 0.67626839 0.90801605 1.0
Ge Ge78 1 0.65823628 0.23489464 0.98664543 1.0
Ge Ge79 1 0.34067092 0.21535798 0.80229111 1.0
Ge Ge80 1 0.77520410 0.15840233 0.14439169 1.0
Ge Ge81 1 0.15840233 0.22479590 0.85560831 1.0
Ge Ge82 1 0.84229699 0.24454871 0.67116301 1.0
Ge Ge83 1 0.34229699 0.25545129 0.17116301 1.0
Ge Ge84 1 0.69788968 0.16060787 0.88191056 1.0
Ge Ge85 1 0.31738836 0.16396113 0.06600027 1.0
Ge Ge86 1 0.84067092 0.28464202 0.30229111 1.0
Ge Ge87 1 0.27520410 0.34159767 0.64439169 1.0
Ge Ge88 1 0.34159767 0.72479590 0.35560831 1.0
Ge Ge89 1 0.32373161 0.66678703 0.09198395 1.0
Ge Ge90 1 0.15932908 0.71535798 0.30229111 1.0
Ge Ge91 1 0.16678703 0.82373161 0.40801605 1.0
Ge Ge92 1 0.75545129 0.84229699 0.32883699 1.0
Ge Ge93 1 0.31006343 0.33809337 0.27604290 1.0
Ge Ge94 1 0.28464202 0.15932908 0.69770889 1.0
Ge Ge95 1 0.20637072 0.15959197 0.96015257 1.0
Ge Ge96 1 0.73489464 0.15823628 0.51335457 1.0
Ge Ge97 1 0.32900233 0.82900233 0.25000000 1.0
Ge Ge98 1 0.16396113 0.68261164 0.93399973 1.0
Ge Ge99 1 0.68993657 0.66190663 0.27604290 1.0
Ge Ge100 1 0.67626839 0.33321297 0.09198395 1.0
Ge Ge101 1 0.23489464 0.34176372 0.01335457 1.0
Ge Ge102 1 0.30211032 0.83939213 0.88191056 1.0
Ge Ge103 1 0.82373161 0.83321297 0.59198395 1.0
Ge Ge104 1 0.81738836 0.33603887 0.56600027 1.0
Ge Ge105 1 0.67099767 0.17099767 0.25000000 1.0
Ge Ge106 1 0.33809337 0.68993657 0.72395710 1.0
Ge Ge107 1 0.26510536 0.84176372 0.51335457 1.0
Ge Ge108 1 0.84176372 0.73489464 0.48664543 1.0
Ge Ge109 1 0.21535798 0.65932908 0.19770889 1.0
Ge Ge110 1 0.33939213 0.80211032 0.61808944 1.0
Ge Ge111 1 0.24454871 0.15770301 0.32883699 1.0
Ge Ge112 1 0.84040803 0.20637072 0.03984743 1.0
Ge Ge113 1 0.22479590 0.84159767 0.14439169 1.0
Ge Ge114 1 0.78464202 0.34067092 0.19770889 1.0
Ge Ge115 1 0.17626839 0.16678703 0.59198395 1.0
Ge Ge116 1 0.71535798 0.84067092 0.69770889 1.0
Ge Ge117 1 0.19788968 0.33939213 0.38191056 1.0
Ge Ge118 1 0.66396113 0.81738836 0.43399973 1.0
Ge Ge119 1 0.17099767 0.32900233 0.75000000 1.0