Nd2Ga9PdRh2
High-Entropy Materials HEAMP-ID: mp-3292718 · Space group: C2/m (#12)
Basic Information
Formula
Nd2Ga9PdRh2
MP-ID
mp-3292718
Elements
4
Sites
28
Density
8.5006
g/cm³
Volume
479.85
ų
Cell a
7.5901
Å
Cell b
7.5901
Å
Cell c
9.5984
Å
α Angle
89.97
°
β Angle
89.97
°
γ Angle
119.80
°
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 |
|---|---|---|---|
| 18.49 | 4.7992 | 3.0 | (0,0,0,2) |
| 23.44 | 3.7950 | 1.4 | (2,-1,-1,0) |
| 25.16 | 3.5399 | 2.1 | (1,1,-2,1) |
| 25.18 | 3.5372 | 2.1 | (1,1,-2,-1) |
| 25.23 | 3.5298 | 4.9 | (2,-1,-1,1) |
| 25.24 | 3.5285 | 5.3 | (2,-1,-1,-1) |
| 27.08 | 3.2933 | 1.2 | (2,0,-2,0) |
| 27.08 | 3.2933 | 1.2 | (0,2,-2,0) |
| 27.16 | 3.2832 | 6.0 | (2,-2,0,0) |
| 28.65 | 3.1159 | 3.4 | (2,0,-2,1) |
| 28.65 | 3.1159 | 3.4 | (0,2,-2,1) |
| 28.67 | 3.1141 | 6.2 | (2,0,-2,-1) |
| 29.94 | 2.9840 | 5.2 | (1,1,-2,2) |
| 29.98 | 2.9808 | 6.3 | (1,1,-2,-2) |
| 30.01 | 2.9776 | 12.9 | (2,-1,-1,2) |
| 30.03 | 2.9760 | 11.7 | (2,-1,-1,-2) |
| 32.97 | 2.7166 | 1.5 | (2,0,-2,2) |
| 32.97 | 2.7166 | 1.5 | (0,2,-2,2) |
| 33.00 | 2.7142 | 2.2 | (2,0,-2,-2) |
| 33.06 | 2.7098 | 9.4 | (2,-2,0,2) |
| 36.05 | 2.4917 | 4.6 | (2,1,-3,0) |
| 36.05 | 2.4917 | 4.6 | (1,2,-3,0) |
| 36.18 | 2.4830 | 3.3 | (3,-2,-1,0) |
| 36.18 | 2.4830 | 3.3 | (2,-3,1,0) |
Energy Properties
Formation Energy/atom
-0.74891
eV/atom
Energy/atom
-17.39562
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-17.3956
eV/atom
Volume/atom
17.14
ų
c/a Ratio
1.2646
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
0.3145
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
12.318%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3264
smaller = more stable mixing
VEC
4.357
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-22.568
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-3292718
Reference Citation
The crystal structure and related material properties of Nd2Ga9PdRh2 were obtained from the Materials Project database (MP-ID: mp-3292718, 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_Nd2Ga9PdRh2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.59005889
_cell_length_b 7.59005757
_cell_length_c 9.59837687
_cell_angle_alpha 89.96867305
_cell_angle_beta 89.96867752
_cell_angle_gamma 119.79675610
_symmetry_Int_Tables_number 1
_chemical_formula_structural Nd2Ga9PdRh2
_chemical_formula_sum 'Nd4 Ga18 Pd2 Rh4'
_cell_volume 479.84855698
_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
Nd Nd0 1 0.99747917 0.66739413 0.24926216 1.0
Nd Nd1 1 0.00252083 0.33260587 0.75073784 1.0
Nd Nd2 1 0.66739413 0.99747917 0.24926216 1.0
Nd Nd3 1 0.33260587 0.00252083 0.75073784 1.0
Ga Ga4 1 0.12875105 0.12875105 0.25081028 1.0
Ga Ga5 1 0.87124895 0.87124895 0.74918972 1.0
Ga Ga6 1 0.00598625 0.33106073 0.07841810 1.0
Ga Ga7 1 0.99401375 0.66893927 0.92158190 1.0
Ga Ga8 1 0.99791103 0.66624637 0.57399207 1.0
Ga Ga9 1 0.33375363 0.00208897 0.42600793 1.0
Ga Ga10 1 0.00208897 0.33375363 0.42600793 1.0
Ga Ga11 1 0.66624637 0.99791103 0.57399207 1.0
Ga Ga12 1 0.66893927 0.99401375 0.92158190 1.0
Ga Ga13 1 0.33106073 0.00598625 0.07841810 1.0
Ga Ga14 1 0.33373608 0.33373608 0.55845391 1.0
Ga Ga15 1 0.66626392 0.66626392 0.44154609 1.0
Ga Ga16 1 0.66625292 0.66625292 0.06643484 1.0
Ga Ga17 1 0.33374708 0.33374708 0.93356516 1.0
Ga Ga18 1 0.33993206 0.54252771 0.25432925 1.0
Ga Ga19 1 0.66006794 0.45747229 0.74567075 1.0
Ga Ga20 1 0.54252771 0.33993206 0.25432925 1.0
Ga Ga21 1 0.45747229 0.66006794 0.74567075 1.0
Pd Pd22 1 0.67031362 0.32968638 1.00000000 1.0
Pd Pd23 1 0.32968638 0.67031362 0.00000000 1.0
Rh Rh24 1 0.32924403 0.67075597 0.50000000 1.0
Rh Rh25 1 0.67075597 0.32924403 0.50000000 1.0
Rh Rh26 1 0.00000000 0.00000000 0.00000000 1.0
Rh Rh27 1 0.00000000 0.00000000 0.50000000 1.0
