Y2Ga9PtRh2
High-Entropy Materials HEAMP-ID: mp-3292931 · Space group: C2/m (#12)
Basic Information
Formula
Y2Ga9PtRh2
MP-ID
mp-3292931
Elements
4
Sites
28
Density
8.6271
g/cm³
Volume
464.34
ų
Cell a
7.5228
Å
Cell b
7.5228
Å
Cell c
9.4579
Å
α Angle
89.95
°
β Angle
89.95
°
γ Angle
119.83
°
Space Group
C2/m
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 |
|---|---|---|---|
| 9.35 | 9.4579 | 9.3 | (0,0,0,1) |
| 13.57 | 6.5263 | 2.8 | (1,0,-1,0) |
| 16.49 | 5.3754 | 3.2 | (1,0,-1,1) |
| 16.53 | 5.3621 | 1.9 | (1,-1,0,1) |
| 18.76 | 4.7290 | 25.4 | (0,0,0,2) |
| 23.25 | 3.8259 | 1.9 | (1,-1,0,2) |
| 23.59 | 3.7712 | 8.5 | (1,1,-2,0) |
| 23.65 | 3.7614 | 16.4 | (2,-1,-1,0) |
| 25.41 | 3.5051 | 1.6 | (1,1,-2,1) |
| 25.48 | 3.4962 | 1.6 | (2,-1,-1,1) |
| 25.49 | 3.4941 | 3.9 | (2,-1,-1,-1) |
| 27.40 | 3.2546 | 4.4 | (2,-2,0,0) |
| 28.93 | 3.0861 | 7.3 | (2,0,-2,1) |
| 28.96 | 3.0833 | 1.1 | (2,0,-2,-1) |
| 30.29 | 2.9510 | 7.2 | (1,1,-2,2) |
| 30.34 | 2.9460 | 8.7 | (1,1,-2,-2) |
| 30.35 | 2.9450 | 17.7 | (2,-1,-1,2) |
| 30.38 | 2.9425 | 15.7 | (2,-1,-1,-2) |
| 33.34 | 2.6877 | 4.1 | (2,0,-2,2) |
| 33.39 | 2.6839 | 3.5 | (2,0,-2,-2) |
| 33.42 | 2.6810 | 3.9 | (2,-2,0,2) |
| 36.40 | 2.4685 | 8.1 | (2,1,-3,0) |
| 36.51 | 2.4612 | 3.2 | (3,-2,-1,0) |
| 37.14 | 2.4209 | 14.1 | (1,1,-2,3) |
Energy Properties
Formation Energy/atom
-0.78037
eV/atom
Energy/atom
-18.16411
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-18.1641
eV/atom
Volume/atom
16.58
ų
c/a Ratio
1.2572
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0015
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
0.3270
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
11.110%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3111
smaller = more stable mixing
VEC
4.357
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-23.981
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7419
SS Former
0
Phase Tendency
AM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3292931
Reference Citation
The crystal structure and related material properties of Y2Ga9PtRh2 were obtained from the Materials Project database (MP-ID: mp-3292931, 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_Y2Ga9PtRh2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.52281940
_cell_length_b 7.52281932
_cell_length_c 9.45792658
_cell_angle_alpha 89.94976511
_cell_angle_beta 89.94976799
_cell_angle_gamma 119.82722148
_symmetry_Int_Tables_number 1
_chemical_formula_structural Y2Ga9PtRh2
_chemical_formula_sum 'Y4 Ga18 Pt2 Rh4'
_cell_volume 464.34488196
_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
Y Y0 1 0.99763114 0.66751669 0.25010554 1.0
Y Y1 1 0.00236886 0.33248331 0.74989446 1.0
Y Y2 1 0.66751669 0.99763114 0.25010554 1.0
Y Y3 1 0.33248331 0.00236886 0.74989446 1.0
Ga Ga4 1 0.33215372 0.33215472 0.56408266 1.0
Ga Ga5 1 0.66784528 0.66784628 0.43591734 1.0
Ga Ga6 1 0.66964035 0.66964135 0.07227381 1.0
Ga Ga7 1 0.33035865 0.33035965 0.92772619 1.0
Ga Ga8 1 0.33895450 0.54342646 0.25412621 1.0
Ga Ga9 1 0.66104550 0.45657354 0.74587379 1.0
Ga Ga10 1 0.54342646 0.33895450 0.25412621 1.0
Ga Ga11 1 0.45657354 0.66104550 0.74587379 1.0
Ga Ga12 1 0.00210965 0.33009022 0.08096228 1.0
Ga Ga13 1 0.99789035 0.66990978 0.91903772 1.0
Ga Ga14 1 0.00014132 0.66634372 0.57688950 1.0
Ga Ga15 1 0.33365628 0.99985868 0.42311050 1.0
Ga Ga16 1 0.99985868 0.33365628 0.42311050 1.0
Ga Ga17 1 0.66634372 0.00014132 0.57688950 1.0
Ga Ga18 1 0.66990978 0.99789035 0.91903772 1.0
Ga Ga19 1 0.33009022 0.00210965 0.08096228 1.0
Ga Ga20 1 0.12610544 0.12610544 0.25081904 1.0
Ga Ga21 1 0.87389456 0.87389456 0.74918096 1.0
Pt Pt22 1 0.67111635 0.32888365 1.00000000 1.0
Pt Pt23 1 0.32888365 0.67111635 0.00000000 1.0
Rh Rh24 1 0.00000000 0.00000000 0.00000000 1.0
Rh Rh25 1 0.00000000 0.00000000 0.50000000 1.0
Rh Rh26 1 0.32883775 0.67116225 0.50000000 1.0
Rh Rh27 1 0.67116225 0.32883775 0.50000000 1.0
