Basic Information
Formula
Yb2Ge4Ru3
MP-ID
mp-642651
Elements
3
Sites
36
Density
10.4862
g/cm³
Volume
595.32
ų
Cell a
10.3290
Å
Cell b
10.3290
Å
Cell c
13.8615
Å
α Angle
53.20
°
β Angle
53.20
°
γ Angle
30.92
°
Space Group
C2/c
Point Group
2/m
Crystal System
Monoclinic
Bravais Lattice
mC
Stability
Yes
Packing Fraction
-
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 16.33 | 5.4297 | 1.4 | (0,0,2) |
| 17.96 | 4.9401 | 2.6 | (2,2,2) |
| 20.43 | 4.3476 | 3.4 | (1,0,-1) |
| 21.09 | 4.2133 | 3.7 | (1,0,2) |
| 25.23 | 3.5302 | 2.2 | (2,1,3) |
| 26.08 | 3.4163 | 7.4 | (1,0,-2) |
| 26.95 | 3.3079 | 3.3 | (1,0,3) |
| 27.26 | 3.2719 | 1.1 | (1,1,4) |
| 27.32 | 3.2647 | 3.8 | (3,3,2) |
| 28.29 | 3.1550 | 7.2 | (2,1,-1) |
| 28.50 | 3.1315 | 4.2 | (3,2,3) |
| 29.28 | 3.0497 | 5.6 | (3,2,1) |
| 30.66 | 2.9162 | 7.0 | (2,1,4) |
| 31.59 | 2.8325 | 6.0 | (3,2,4) |
| 32.52 | 2.7533 | 1.8 | (1,-1,0) |
| 32.96 | 2.7174 | 1.5 | (1,0,-3) |
| 32.99 | 2.7149 | 29.9 | (0,0,4) |
| 33.00 | 2.7144 | 6.5 | (3,2,0) |
| 33.58 | 2.6689 | 32.5 | (1,-1,1) |
| 33.80 | 2.6523 | 6.3 | (2,0,1) |
| 33.95 | 2.6406 | 10.2 | (1,0,4) |
| 34.49 | 2.6001 | 9.5 | (2,1,-2) |
| 35.73 | 2.5127 | 31.7 | (2,2,-2) |
| 36.37 | 2.4701 | 16.5 | (4,4,4) |
Energy Properties
Formation Energy/atom
-0.71217
eV/atom
Energy/atom
-23.46998
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-23.4700
eV/atom
Volume/atom
16.54
ų
c/a Ratio
1.3420
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0018
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ge · 0.444
Element Family
PostTransition-Noble
Solute Fraction
0.556
Interstitial Fraction
0.000
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0609
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.8200
J/mol·K
Ω Parameter
4.0389
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
14.076%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.4204
smaller = more stable mixing
VEC
7.556
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
3.606
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9656
SS Former
0
Phase Tendency
IM
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-642651
Reference Citation
The crystal structure and related material properties of Yb2Ge4Ru3 were obtained from the Materials Project database (MP-ID: mp-642651, database version v2026.04.13).
Literature Citation
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
3D Crystal Structure Rendering
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Raw CIF Data
# generated using pymatgen
data_Yb2Ge4Ru3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.32899492
_cell_length_b 10.32899492
_cell_length_c 13.86150249
_cell_angle_alpha 53.20149698
_cell_angle_beta 53.20149698
_cell_angle_gamma 30.91987238
_symmetry_Int_Tables_number 1
_chemical_formula_structural Yb2Ge4Ru3
_chemical_formula_sum 'Yb8 Ge16 Ru12'
_cell_volume 595.31821726
_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 0.29167851 0.56763303 0.64160069 1.0
Yb Yb1 1 0.71492726 0.95871211 0.85888441 1.0
Yb Yb2 1 0.28507274 0.04128789 0.14111559 1.0
Yb Yb3 1 0.43236697 0.70832149 0.85839931 1.0
Yb Yb4 1 0.04128789 0.28507274 0.64111559 1.0
Yb Yb5 1 0.56763303 0.29167851 0.14160069 1.0
Yb Yb6 1 0.95871211 0.71492726 0.35888441 1.0
Yb Yb7 1 0.70832149 0.43236697 0.35839931 1.0
Ge Ge8 1 0.03242532 0.74276379 0.10509876 1.0
Ge Ge9 1 0.61438350 0.85397724 0.60488777 1.0
Ge Ge10 1 0.96757468 0.25723621 0.89490124 1.0
Ge Ge11 1 0.38472568 0.61527432 0.25000000 1.0
Ge Ge12 1 0.38561650 0.14602276 0.39511223 1.0
Ge Ge13 1 0.56369754 0.09377762 0.06586156 1.0
Ge Ge14 1 0.14602276 0.38561650 0.89511223 1.0
Ge Ge15 1 0.25723621 0.96757468 0.39490124 1.0
Ge Ge16 1 0.09377762 0.56369754 0.56586156 1.0
Ge Ge17 1 0.43630246 0.90622238 0.93413844 1.0
Ge Ge18 1 0.12689455 0.87310545 0.75000000 1.0
Ge Ge19 1 0.74276379 0.03242532 0.60509876 1.0
Ge Ge20 1 0.87310545 0.12689455 0.25000000 1.0
Ge Ge21 1 0.61527432 0.38472568 0.75000000 1.0
Ge Ge22 1 0.90622238 0.43630246 0.43413844 1.0
Ge Ge23 1 0.85397724 0.61438350 0.10488777 1.0
Ru Ru24 1 0.14455997 0.89237951 0.08663546 1.0
Ru Ru25 1 0.16200702 0.35805699 0.21824660 1.0
Ru Ru26 1 0.35805699 0.16200702 0.71824660 1.0
Ru Ru27 1 0.83799298 0.64194301 0.78175340 1.0
Ru Ru28 1 0.51545739 0.23875941 0.43200298 1.0
Ru Ru29 1 0.85544003 0.10762049 0.91336454 1.0
Ru Ru30 1 0.64194301 0.83799298 0.28175340 1.0
Ru Ru31 1 0.23875941 0.51545739 0.93200298 1.0
Ru Ru32 1 0.76124059 0.48454261 0.06799702 1.0
Ru Ru33 1 0.10762049 0.85544003 0.41336454 1.0
Ru Ru34 1 0.89237951 0.14455997 0.58663546 1.0
Ru Ru35 1 0.48454261 0.76124059 0.56799702 1.0
