DyHoCuPt5

High-Entropy Materials HEA

MP-ID: mp-3251764 · Space group: Immm (#71)

Materials Project API

Basic Information

Formula

DyHoCuPt5

MP-ID

mp-3251764

Elements

Sites

Density

16.8812

g/cm³

Volume

134.41

Å³

Cell a

5.7313

Cell b

5.7313

Cell c

5.7919

α Angle

59.65

β Angle

59.65

γ Angle

60.61

Space Group

Immm

Point Group

mmm

Crystal System

Orthorhombic

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 24)

2θ	d (Å)	I	hkl
18.90	4.6964	4.9	(1,1,1)
18.91	4.6921	4.5	(1,0,0)
22.16	4.0122	3.6	(1,1,0)
30.88	2.8960	1.6	(1,1,2)
30.92	2.8919	1.6	(1,-1,0)
36.46	2.4644	1.3	(2,1,2)
36.49	2.4625	1.5	(1,-1,1)
38.33	2.3482	50.1	(2,2,2)
38.33	2.3482	50.1	(0,0,2)
38.37	2.3460	100.0	(2,0,0)
44.26	2.0463	67.1	(2,0,2)
45.20	2.0061	31.6	(2,2,0)
50.04	1.8229	1.8	(3,1,2)
64.34	1.4480	11.1	(2,2,4)
64.44	1.4460	11.1	(2,-2,0)
65.12	1.4325	21.4	(4,2,2)
65.12	1.4325	21.4	(2,0,-2)
77.46	1.2322	26.2	(4,2,4)
77.53	1.2313	6.5	(4,0,2)
77.53	1.2313	19.6	(2,-2,2)
78.83	1.2142	6.3	(4,4,2)
78.83	1.2142	6.3	(2,2,-2)
78.85	1.2139	12.5	(4,2,0)
82.08	1.1741	5.7	(4,4,4)

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Energy Properties

Formation Energy/atom

-1.04350

eV/atom

Energy/atom

-42.68706

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-42.6871

eV/atom

Volume/atom

16.80

Å³

c/a Ratio

1.0106

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0000

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Pt · 0.625

Element Family

5d-TM

Solute Fraction

0.375

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0735

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.9254

J/mol·K

Ω Parameter

2.9706

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

11.432%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4466

smaller = more stable mixing

VEC

10.250

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-5.625

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7744

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahdahw

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3251764

Reference Citation

The crystal structure and related material properties of DyHoCuPt5 were obtained from the Materials Project database (MP-ID: mp-3251764, 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_DyHoCuPt5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.73127315
_cell_length_b   5.73127289
_cell_length_c   5.79191733
_cell_angle_alpha   59.64934540
_cell_angle_beta   59.64934693
_cell_angle_gamma   60.60828180
_symmetry_Int_Tables_number   1
_chemical_formula_structural   DyHoCuPt5
_chemical_formula_sum   'Dy1 Ho1 Cu1 Pt5'
_cell_volume   134.40714089
_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  0.50000000  1.0
  Ho  Ho1  1  0.50000000  0.50000000  0.00000000  1.0
  Cu  Cu2  1  0.50000000  0.50000000  0.50000000  1.0
  Pt  Pt3  1  0.00000000  0.00000000  0.00000000  1.0
  Pt  Pt4  1  0.00000000  0.50000000  0.00000000  1.0
  Pt  Pt5  1  0.50000000  0.00000000  0.00000000  1.0
  Pt  Pt6  1  0.00000000  0.50000000  0.50000000  1.0
  Pt  Pt7  1  0.50000000  0.00000000  0.50000000  1.0

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