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Dy2ZnRuPt

High-Entropy Materials HEA

MP-ID: mp-3247856 · Space group: Imm2 (#44)

Materials Project API

Basic Information

Formula
Dy2ZnRuPt
MP-ID
mp-3247856
Elements
4
Sites
5
Density
11.4258
g/cm³
Volume
99.78
ų
Cell a
5.4556
Å
Cell b
5.4556
Å
Cell c
5.4556
Å
α Angle
135.29
°
β Angle
115.19
°
γ Angle
82.16
°
Space Group
Imm2
Point Group
mm2
Crystal System
Orthorhombic
Bravais Lattice
oI
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)
2θd (Å)Ihkl
18.62 4.7656 13.9 (0,1,-1)
21.61 4.1124 5.7 (1,1,-1)
24.02 3.7048 15.4 (0,1,0)
26.34 3.3840 39.7 (0,0,1)
30.58 2.9236 2.7 (1,-1,1)
34.32 2.6131 78.0 (0,2,-1)
34.32 2.6131 26.0 (2,0,-1)
36.19 2.4823 27.2 (1,2,-2)
37.75 2.3828 32.5 (0,2,-2)
37.75 2.3828 32.5 (2,0,0)
39.26 2.2950 100.0 (1,-2,1)
39.39 2.2874 53.6 (1,2,-1)
43.62 2.0748 43.2 (1,-1,-1)
44.04 2.0562 21.8 (2,2,-2)
47.81 1.9023 2.7 (1,0,-2)
47.97 1.8965 2.3 (1,-2,2)
49.19 1.8524 1.2 (0,2,0)
50.67 1.8015 2.2 (0,3,-2)
51.82 1.7641 13.7 (1,-1,2)
52.04 1.7572 1.7 (2,2,-1)
56.78 1.6213 8.2 (1,-3,2)
56.78 1.6213 2.7 (3,-1,0)
57.93 1.5919 3.5 (0,3,-1)
57.93 1.5919 10.4 (1,2,0)
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Energy Properties

Formation Energy/atom
-0.81416
eV/atom
Energy/atom
-30.77145
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-30.7715
eV/atom
Volume/atom
19.96
ų
c/a Ratio
1.0000

Electronic Properties

Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
No
Total Mag. Moment
0.0000
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
Dy · 0.400
Element Family
Lanthanide
Solute Fraction
0.600
Interstitial Fraction
0.000

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.3322
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
11.0757
J/mol·K
Ω Parameter
2.3375
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
12.784%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.4580
smaller = more stable mixing
VEC
10.000
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-8.245
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9610
SS Former
0
Phase Tendency
IM

Related Tasks

Related computation task IDs (1)
aaahcuno

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-3247856
Reference Citation

The crystal structure and related material properties of Dy2ZnRuPt were obtained from the Materials Project database (MP-ID: mp-3247856, 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

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data 
# generated using pymatgen
data_Dy2ZnRuPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.45562133
_cell_length_b   5.45562244
_cell_length_c   5.45562215
_cell_angle_alpha   135.29473327
_cell_angle_beta   115.19275527
_cell_angle_gamma   82.16043385
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy2ZnRuPt
_chemical_formula_sum   'Dy2 Zn1 Ru1 Pt1'
_cell_volume   99.78014631
_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
  Dy  Dy0  1  0.69959439  0.20382494  0.49577045  1.0
  Dy  Dy1  1  0.29194551  0.79617606  0.49577145  1.0
  Zn  Zn2  1  0.01176820  0.00000000  0.01176820  1.0
  Ru  Ru3  1  0.26569286  0.50000100  0.76569386  1.0
  Pt  Pt4  1  0.73099704  0.49999900  0.23099704  1.0
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