DyHf4Pt15

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3296786 · Space group: P4/mmm (#123)

Materials Project API

Basic Information

Formula

DyHf4Pt15

MP-ID

mp-3296786

Elements

Sites

Density

19.4264

g/cm³

Volume

325.05

Å³

Cell a

4.0160

Cell b

4.0160

Cell c

20.1538

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

P4/mmm

Point Group

4/mmm

Crystal System

Tetragonal

Bravais Lattice

Stability

Yes

Packing Fraction

X-ray Diffraction

Diffraction Pattern

Target / Radiation

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

Diffraction Peaks (Top 8)

2θ	d (Å)	I	hkl
38.79	2.3215	100.0	(1,1,5)
44.98	2.0154	16.1	(0,0,10)
45.15	2.0080	33.1	(2,0,0)
65.63	1.4225	21.1	(2,0,10)
65.77	1.4199	10.9	(2,2,0)
78.80	1.2145	12.1	(1,1,15)
79.06	1.2113	25.9	(3,1,5)
83.24	1.1607	11.2	(2,2,10)

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Energy Properties

Formation Energy/atom

-1.18299

eV/atom

Energy/atom

-50.42815

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-50.4282

eV/atom

Volume/atom

16.25

Å³

c/a Ratio

5.0184

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0044

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000010

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Pt · 0.750

Element Family

5d-TM

Solute Fraction

0.250

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.6874

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

5.7153

J/mol·K

Ω Parameter

0.3665

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

7.281%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4316

smaller = more stable mixing

VEC

8.800

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-33.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.6257

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.664

Family

Pt-rich Multi-Component

Matrix Element

Pt · 0.750

Related Tasks

Related computation task IDs (1)

aaahfoxm

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3296786

Reference Citation

The crystal structure and related material properties of DyHf4Pt15 were obtained from the Materials Project database (MP-ID: mp-3296786, 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_DyHf4Pt15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.01603208
_cell_length_b   4.01603208
_cell_length_c   20.15382665
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   DyHf4Pt15
_chemical_formula_sum   'Dy1 Hf4 Pt15'
_cell_volume   325.05126875
_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  0.00000000  0.00000000  0.00000000  1.0
  Hf  Hf1  1  0.00000000  0.00000000  0.20111582  1.0
  Hf  Hf2  1  0.00000000  0.00000000  0.40057537  1.0
  Hf  Hf3  1  0.00000000  0.00000000  0.59942463  1.0
  Hf  Hf4  1  0.00000000  0.00000000  0.79888418  1.0
  Pt  Pt5  1  0.50000000  0.50000000  0.00000000  1.0
  Pt  Pt6  1  0.50000000  0.50000000  0.20411631  1.0
  Pt  Pt7  1  0.50000000  0.50000000  0.40126380  1.0
  Pt  Pt8  1  0.50000000  0.50000000  0.59873620  1.0
  Pt  Pt9  1  0.50000000  0.50000000  0.79588369  1.0
  Pt  Pt10  1  0.50000000  0.00000000  0.10574564  1.0
  Pt  Pt11  1  0.50000000  0.00000000  0.30247060  1.0
  Pt  Pt12  1  0.50000000  0.00000000  0.50000000  1.0
  Pt  Pt13  1  0.50000000  0.00000000  0.69752940  1.0
  Pt  Pt14  1  0.50000000  0.00000000  0.89425436  1.0
  Pt  Pt15  1  0.00000000  0.50000000  0.10574564  1.0
  Pt  Pt16  1  0.00000000  0.50000000  0.30247060  1.0
  Pt  Pt17  1  0.00000000  0.50000000  0.50000000  1.0
  Pt  Pt18  1  0.00000000  0.50000000  0.69752940  1.0
  Pt  Pt19  1  0.00000000  0.50000000  0.89425436  1.0

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