Yb2Ga9Ir2Pd
High-Entropy Materials HEAMP-ID: mp-3292692 · Space group: Cmcm (#63)
Basic Information
Formula
Yb2Ga9Ir2Pd
MP-ID
mp-3292692
Elements
4
Sites
28
Density
10.5196
g/cm³
Volume
462.33
ų
Cell a
7.4430
Å
Cell b
7.4430
Å
Cell c
9.5175
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
118.73
°
Space Group
Cmcm
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
oC
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 |
|---|---|---|---|
| 13.83 | 6.4043 | 11.5 | (1,-1,0,0) |
| 16.47 | 5.3825 | 2.8 | (1,0,-1,1) |
| 18.65 | 4.7588 | 8.1 | (0,0,0,2) |
| 23.13 | 3.8452 | 7.9 | (1,0,-1,2) |
| 23.46 | 3.7925 | 6.1 | (1,1,-2,0) |
| 23.92 | 3.7206 | 10.8 | (2,-1,-1,0) |
| 25.28 | 3.5231 | 5.9 | (1,1,-2,1) |
| 25.71 | 3.4652 | 9.7 | (2,-1,-1,1) |
| 27.86 | 3.2022 | 7.1 | (2,-2,0,0) |
| 28.92 | 3.0869 | 11.7 | (2,0,-2,1) |
| 30.13 | 2.9659 | 25.0 | (1,1,-2,2) |
| 30.50 | 2.9311 | 56.8 | (2,-1,-1,2) |
| 31.35 | 2.8533 | 1.1 | (1,0,-1,3) |
| 33.29 | 2.6913 | 4.3 | (0,2,-2,2) |
| 33.29 | 2.6913 | 4.3 | (2,0,-2,2) |
| 33.74 | 2.6567 | 7.2 | (2,-2,0,2) |
| 36.21 | 2.4805 | 12.3 | (2,1,-3,0) |
| 36.94 | 2.4334 | 44.2 | (1,1,-2,3) |
| 37.04 | 2.4270 | 1.3 | (3,-2,-1,0) |
| 37.25 | 2.4141 | 88.2 | (2,-1,-1,3) |
| 37.47 | 2.4003 | 1.2 | (1,2,-3,1) |
| 37.47 | 2.4003 | 1.2 | (2,1,-3,1) |
| 37.81 | 2.3794 | 34.8 | (0,0,0,4) |
| 37.97 | 2.3696 | 9.5 | (1,-3,2,1) |
Energy Properties
Formation Energy/atom
-0.70146
eV/atom
Energy/atom
-22.39595
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-22.3960
eV/atom
Volume/atom
16.51
ų
c/a Ratio
1.2787
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0010
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ga · 0.643
Element Family
PostTransition-Noble
Solute Fraction
0.357
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0285
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.5511
J/mol·K
Ω Parameter
0.8314
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
9.853%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3229
smaller = more stable mixing
VEC
5.929
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-8.982
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7419
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3292692
Reference Citation
The crystal structure and related material properties of Yb2Ga9Ir2Pd were obtained from the Materials Project database (MP-ID: mp-3292692, 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_Yb2Ga9Ir2Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.44300618
_cell_length_b 7.44300675
_cell_length_c 9.51750511
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 118.73380836
_symmetry_Int_Tables_number 1
_chemical_formula_structural Yb2Ga9Ir2Pd
_chemical_formula_sum 'Yb4 Ga18 Ir4 Pd2'
_cell_volume 462.32936732
_cell_formula_units_Z 2
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 0.00127557 0.67543305 0.25000000 1.0
Yb Yb1 1 0.99872443 0.32456695 0.75000000 1.0
Yb Yb2 1 0.67543305 0.00127557 0.25000000 1.0
Yb Yb3 1 0.32456695 0.99872443 0.75000000 1.0
Ga Ga4 1 0.13408779 0.13408779 0.25000000 1.0
Ga Ga5 1 0.86591221 0.86591221 0.75000000 1.0
Ga Ga6 1 0.00388559 0.34133291 0.08005959 1.0
Ga Ga7 1 0.99611441 0.65866709 0.91994041 1.0
Ga Ga8 1 0.99611441 0.65866709 0.58005959 1.0
Ga Ga9 1 0.34133291 0.00388559 0.41994041 1.0
Ga Ga10 1 0.00388559 0.34133291 0.41994041 1.0
Ga Ga11 1 0.65866709 0.99611441 0.58005959 1.0
Ga Ga12 1 0.65866709 0.99611441 0.91994041 1.0
Ga Ga13 1 0.34133291 0.00388559 0.08005959 1.0
Ga Ga14 1 0.33662243 0.33662243 0.56814306 1.0
Ga Ga15 1 0.66337757 0.66337757 0.43185694 1.0
Ga Ga16 1 0.66337757 0.66337757 0.06814306 1.0
Ga Ga17 1 0.33662243 0.33662243 0.93185694 1.0
Ga Ga18 1 0.33767099 0.54973685 0.25000000 1.0
Ga Ga19 1 0.66232901 0.45026315 0.75000000 1.0
Ga Ga20 1 0.54973685 0.33767099 0.25000000 1.0
Ga Ga21 1 0.45026315 0.66232901 0.75000000 1.0
Ir Ir22 1 0.67239986 0.32760014 0.00000000 1.0
Ir Ir23 1 0.32760014 0.67239986 0.00000000 1.0
Ir Ir24 1 0.32760014 0.67239986 0.50000000 1.0
Ir Ir25 1 0.67239986 0.32760014 0.50000000 1.0
Pd Pd26 1 0.00000000 0.00000000 0.00000000 1.0
Pd Pd27 1 0.00000000 0.00000000 0.50000000 1.0
