DyInPt4

High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-1025113 · Space group: F-43m (#216)

Materials Project API

Basic Information

Formula

DyInPt4

MP-ID

mp-1025113

Elements

Sites

Density

15.7112

g/cm³

Volume

111.78

Å³

Cell a

5.4071

Cell b

5.4071

Cell c

5.4071

α Angle

60.00

β Angle

60.00

γ Angle

60.00

Space Group

F-43m

Point Group

-43m

Crystal System

Cubic

Bravais Lattice

Stability

Packing Fraction

0.7405

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 14)

2θ	d (Å)	I	hkl
20.11	4.4149	18.6	(1,1,1)
33.14	2.7036	17.9	(2,1,1)
39.07	2.3056	100.0	(2,2,1)
40.88	2.2075	51.6	(2,2,2)
47.56	1.9117	10.4	(2,2,0)
52.14	1.7543	4.9	(3,2,2)
59.19	1.5609	6.7	(3,3,2)
63.18	1.4716	32.8	(3,3,3)
69.54	1.3518	30.1	(4,2,2)
73.23	1.2926	3.7	(4,3,2)
79.23	1.2091	2.9	(4,3,1)
82.77	1.1661	11.7	(4,4,3)
83.94	1.1528	20.3	(4,4,2)
88.61	1.1037	2.6	(4,4,4)

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Energy Properties

Formation Energy/atom

-0.90358

eV/atom

Energy/atom

-44.32212

eV/atom

Energy above Hull

0.0336

eV/atom

Uncorrected Energy

-6.0690

eV/atom

Volume/atom

18.63

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0003

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

K_VRH

165.870

GPa

G_VRH

59.703

GPa

Young's Modulus E

159.922

GPa

Poisson Ratio ν

0.339

Pugh Ratio K/G

2.778

Vickers Hardness Est.

3.619

GPa

Ductility

Brittle

Anisotropy

0.531

Lame λ

126.068

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Pt · 0.667

Element Family

5d-TM

Solute Fraction

0.333

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.8676

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.2129

J/mol·K

Ω Parameter

5.2769

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

10.196%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4017

smaller = more stable mixing

VEC

8.833

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-2.340

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7897

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.563

Family

Pt-rich Multi-Component

Matrix Element

Pt · 0.667

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.5310

Homogeneous Poisson ν

0.3390

Debye Temperature

259.8

Sound Velocity

2,188.6

m/s

Homogeneity

0.3390

Related Tasks

Related computation task IDs (5)

aaadfyrj aaadmwgy aaadsnap aaaeulyf aaafwyco

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1025113

Reference Citation

The crystal structure and related material properties of DyInPt4 were obtained from the Materials Project database (MP-ID: mp-1025113, 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_DyInPt4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.40711828
_cell_length_b   5.40711828
_cell_length_c   5.40711828
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   DyInPt4
_chemical_formula_sum   'Dy1 In1 Pt4'
_cell_volume   111.78476310
_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  0.25000000  0.25000000  0.25000000  1.0
  In  In1  1  0.00000000  0.00000000  0.00000000  1.0
  Pt  Pt2  1  0.62534000  0.62534000  0.62534000  1.0
  Pt  Pt3  1  0.62534000  0.62534000  0.12398100  1.0
  Pt  Pt4  1  0.62534000  0.12398100  0.62534000  1.0
  Pt  Pt5  1  0.12398100  0.62534000  0.62534000  1.0

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