DyInPt2

High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-1025525 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

DyInPt2

MP-ID

mp-1025525

Elements

Sites

Density

13.2946

g/cm³

Volume

166.74

Å³

Cell a

4.7845

Cell b

4.7845

Cell c

8.4109

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P6_3/mmc

Point Group

6/mmm

Crystal System

Hexagonal

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 24)

2θ	d (Å)	I	hkl
21.13	4.2055	13.6	(0,0,0,2)
21.45	4.1435	7.6	(1,0,-1,0)
23.94	3.7170	8.5	(1,0,-1,1)
30.28	2.9516	15.7	(1,0,-1,2)
37.60	2.3923	100.0	(2,-1,-1,0)
38.78	2.3220	78.0	(1,0,-1,3)
43.52	2.0794	12.9	(2,-1,-1,2)
43.69	2.0718	1.2	(2,0,-2,0)
45.07	2.0116	1.1	(2,0,-2,1)
48.55	1.8751	11.5	(1,0,-1,4)
49.02	1.8585	4.1	(2,0,-2,2)
55.12	1.6662	9.4	(2,-2,0,3)
55.12	1.6662	18.8	(2,0,-2,3)
60.09	1.5396	1.0	(3,-1,-2,1)
62.98	1.4758	5.3	(2,0,-2,4)
63.37	1.4676	2.5	(3,-1,-2,2)
63.37	1.4676	1.2	(2,1,-3,2)
66.73	1.4018	1.5	(0,0,0,6)
67.86	1.3812	5.9	(3,-3,0,0)
67.86	1.3812	11.9	(3,0,-3,0)
68.64	1.3673	19.5	(3,-1,-2,3)
68.64	1.3673	9.7	(2,1,-3,3)
70.98	1.3279	11.7	(1,0,-1,6)
71.96	1.3122	1.0	(3,-3,0,2)

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Energy Properties

Formation Energy/atom

-0.96065

eV/atom

Energy/atom

-40.34461

eV/atom

Energy above Hull

0.1369

eV/atom

Uncorrected Energy

-5.6972

eV/atom

Volume/atom

20.84

Å³

c/a Ratio

1.7580

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0022

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000010

μB/Å³

Elastic Properties

K_VRH

118.146

GPa

G_VRH

1,859.482

GPa

Young's Modulus E

893.083

GPa

Poisson Ratio ν

-0.760

Pugh Ratio K/G

0.064

Vickers Hardness Est.

GPa

Ductility

Ductile

Anisotropy

-4.986

Lame λ

-1,121.509

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Pt · 0.500

Element Family

5d-TM

Solute Fraction

0.500

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0397

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.6442

J/mol·K

Ω Parameter

5.0818

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

10.483%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4374

smaller = more stable mixing

VEC

8.250

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-2.633

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9464

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.377

Family

Pt-rich Multi-Component

Matrix Element

Pt · 0.500

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

-4.9860

Homogeneous Poisson ν

-0.7600

Debye Temperature

1,471.2

Sound Velocity

12,395.3

m/s

Homogeneity

-0.7600

Related Tasks

Related computation task IDs (5)

aaadohqv aaadvsdu aaaeaebj aaaeqewr aaafbali

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1025525

Reference Citation

The crystal structure and related material properties of DyInPt2 were obtained from the Materials Project database (MP-ID: mp-1025525, 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…

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Raw CIF Data

# generated using pymatgen
data_DyInPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.78450039
_cell_length_b   4.78450039
_cell_length_c   8.41091000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000546
_symmetry_Int_Tables_number   1
_chemical_formula_structural   DyInPt2
_chemical_formula_sum   'Dy2 In2 Pt4'
_cell_volume   166.74268218
_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
  Dy  Dy0  1  0.00000000  0.00000000  0.00000000  1.0
  Dy  Dy1  1  0.00000000  0.00000000  0.50000000  1.0
  In  In2  1  0.33333300  0.66666700  0.25000000  1.0
  In  In3  1  0.66666700  0.33333300  0.75000000  1.0
  Pt  Pt4  1  0.33333300  0.66666700  0.59049500  1.0
  Pt  Pt5  1  0.66666700  0.33333300  0.40950500  1.0
  Pt  Pt6  1  0.66666700  0.33333300  0.09049500  1.0
  Pt  Pt7  1  0.33333300  0.66666700  0.90950500  1.0

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