NdDy3Ga20Pt11
High-Entropy Materials HEAMP-ID: mp-3294524 · Space group: Cm (#8)
Basic Information
Formula
NdDy3Ga20Pt11
MP-ID
mp-3294524
Elements
4
Sites
35
Density
11.6363
g/cm³
Volume
595.38
ų
Cell a
4.2432
Å
Cell b
10.8728
Å
Cell c
13.4178
Å
α Angle
81.74
°
β Angle
80.91
°
γ Angle
78.72
°
Space Group
Cm
Point Group
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 |
|---|---|---|---|
| 8.35 | 10.5904 | 6.9 | (0,1,0) |
| 10.09 | 8.7638 | 2.7 | (0,1,1) |
| 15.00 | 5.9055 | 2.5 | (0,1,2) |
| 16.67 | 5.3181 | 2.4 | (0,1,-2) |
| 16.74 | 5.2952 | 2.4 | (0,2,0) |
| 17.31 | 5.1233 | 20.0 | (0,2,1) |
| 18.78 | 4.7256 | 1.1 | (0,2,-1) |
| 20.25 | 4.3864 | 3.4 | (0,0,3) |
| 20.27 | 4.3819 | 7.7 | (0,2,2) |
| 22.83 | 3.8954 | 1.2 | (0,1,-3) |
| 23.88 | 3.7268 | 6.0 | (1,1,-1) |
| 23.88 | 3.7259 | 6.0 | (1,0,2) |
| 24.50 | 3.6329 | 3.4 | (1,2,1) |
| 24.51 | 3.6317 | 3.4 | (1,-1,0) |
| 24.80 | 3.5895 | 15.7 | (0,2,3) |
| 24.91 | 3.5744 | 1.4 | (1,2,0) |
| 24.92 | 3.5730 | 1.5 | (1,-1,1) |
| 25.23 | 3.5301 | 21.1 | (0,3,0) |
| 25.35 | 3.5135 | 2.4 | (0,3,1) |
| 25.95 | 3.4337 | 1.8 | (1,2,2) |
| 25.96 | 3.4329 | 1.9 | (1,-1,-1) |
| 27.01 | 3.3010 | 3.9 | (1,0,-2) |
| 27.01 | 3.3009 | 3.9 | (1,1,3) |
| 27.09 | 3.2912 | 11.3 | (1,2,-1) |
Energy Properties
Formation Energy/atom
-0.84974
eV/atom
Energy/atom
-27.15214
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-27.1521
eV/atom
Volume/atom
17.01
ų
c/a Ratio
3.1622
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0008
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 · 0.571
Element Family
PostTransition-Noble
Solute Fraction
0.429
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.9957
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.2783
J/mol·K
Ω Parameter
0.4261
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
9.407%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3256
smaller = more stable mixing
VEC
5.800
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-19.341
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7183
SS Former
0
Phase Tendency
AM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3294524
Reference Citation
The crystal structure and related material properties of NdDy3Ga20Pt11 were obtained from the Materials Project database (MP-ID: mp-3294524, 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_NdDy3Ga20Pt11
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.24316231
_cell_length_b 10.87278361
_cell_length_c 13.41777030
_cell_angle_alpha 81.74129993
_cell_angle_beta 80.90827317
_cell_angle_gamma 78.72425992
_symmetry_Int_Tables_number 1
_chemical_formula_structural NdDy3Ga20Pt11
_chemical_formula_sum 'Nd1 Dy3 Ga20 Pt11'
_cell_volume 595.37611043
_cell_formula_units_Z 1
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 0.12314699 0.08873880 0.66462326 1.0
Dy Dy1 1 0.87843929 0.91044439 0.33331594 1.0
Dy Dy2 1 0.77530628 0.63058950 0.81902523 1.0
Dy Dy3 1 0.22394889 0.36991300 0.18171053 1.0
Ga Ga4 1 0.00615790 0.07361696 0.91353333 1.0
Ga Ga5 1 0.99237166 0.92637292 0.08866046 1.0
Ga Ga6 1 0.06650922 0.67669860 0.19153128 1.0
Ga Ga7 1 0.93269639 0.32473950 0.80885298 1.0
Ga Ga8 1 0.10221686 0.34195430 0.45311307 1.0
Ga Ga9 1 0.89946887 0.65674836 0.54583178 1.0
Ga Ga10 1 0.19886981 0.60833301 0.99138733 1.0
Ga Ga11 1 0.80012642 0.39240590 0.00929196 1.0
Ga Ga12 1 0.26093968 0.78035840 0.69918597 1.0
Ga Ga13 1 0.74049909 0.21791199 0.29964046 1.0
Ga Ga14 1 0.30349582 0.89920711 0.49467380 1.0
Ga Ga15 1 0.70020013 0.09771418 0.50070202 1.0
Ga Ga16 1 0.38666266 0.52505528 0.70076464 1.0
Ga Ga17 1 0.61286023 0.47488105 0.30019782 1.0
Ga Ga18 1 0.39614690 0.20322548 0.00517257 1.0
Ga Ga19 1 0.60250787 0.79761290 0.99644201 1.0
Ga Ga20 1 0.54268525 0.28683119 0.62743592 1.0
Ga Ga21 1 0.45641954 0.71606088 0.37178727 1.0
Ga Ga22 1 0.63575259 0.93320002 0.79578386 1.0
Ga Ga23 1 0.36422885 0.06526757 0.20585709 1.0
Pt Pt24 1 0.49768642 0.50424944 0.50081071 1.0
Pt Pt25 1 0.02894954 0.57437168 0.36877413 1.0
Pt Pt26 1 0.97188996 0.42492877 0.63046160 1.0
Pt Pt27 1 0.13740005 0.83725426 0.88792812 1.0
Pt Pt28 1 0.86262833 0.16244007 0.11223563 1.0
Pt Pt29 1 0.24010582 0.12847258 0.39032274 1.0
Pt Pt30 1 0.76258298 0.86889276 0.60714517 1.0
Pt Pt31 1 0.34334986 0.42043033 0.89467481 1.0
Pt Pt32 1 0.65556034 0.58026176 0.10629803 1.0
Pt Pt33 1 0.50409013 0.17027328 0.82069343 1.0
Pt Pt34 1 0.49409637 0.83053979 0.18213504 1.0
