Dy6Si4Ir3Pt

High-Entropy Materials HEA

MP-ID: mp-3248666 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

Dy6Si4Ir3Pt

MP-ID

mp-3248666

Elements

Sites

Density

11.0714

g/cm³

Volume

278.83

Å³

Cell a

5.5628

Cell b

5.5628

Cell c

13.2944

α Angle

90.00

β Angle

90.00

γ Angle

137.33

Space Group

Amm2

Point Group

mm2

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
13.32	6.6472	1.9	(0,0,2)
17.11	5.1815	1.6	(1,-1,0)
18.38	4.8278	2.5	(1,-1,1)
21.75	4.0866	7.2	(1,-1,2)
23.60	3.7704	13.8	(1,0,0)
26.47	3.3678	8.8	(1,-1,3)
26.82	3.3236	9.0	(0,0,4)
27.19	3.2796	2.1	(1,0,2)
31.15	2.8716	100.0	(1,0,3)
31.99	2.7976	41.2	(1,-1,4)
34.12	2.6276	78.2	(2,-1,0)
34.62	2.5908	33.3	(2,-2,0)
34.80	2.5777	6.8	(2,-1,1)
35.30	2.5429	1.1	(2,-2,1)
36.02	2.4932	42.0	(1,0,4)
36.78	2.4436	3.0	(2,-1,2)
38.04	2.3656	2.2	(1,-1,5)
39.89	2.2602	32.2	(2,-1,3)
40.33	2.2366	27.8	(2,-2,3)
40.72	2.2157	11.5	(0,0,6)
41.56	2.1729	11.5	(1,0,5)
43.93	2.0612	27.3	(2,-1,4)
44.33	2.0433	2.5	(2,-2,4)
44.47	2.0373	11.4	(1,-1,6)

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Energy Properties

Formation Energy/atom

-1.14459

eV/atom

Energy/atom

-32.25543

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-32.2554

eV/atom

Volume/atom

19.92

Å³

c/a Ratio

2.3899

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0001

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

Dy · 0.429

Element Family

Lanthanide

Solute Fraction

0.571

Interstitial Fraction

0.286

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.2397

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.3065

J/mol·K

Ω Parameter

3.9053

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

16.927%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4333

smaller = more stable mixing

VEC

8.071

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-5.106

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8942

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahcvss

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3248666

Reference Citation

The crystal structure and related material properties of Dy6Si4Ir3Pt were obtained from the Materials Project database (MP-ID: mp-3248666, 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_Dy6Si4Ir3Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.56276978
_cell_length_b   5.56276978
_cell_length_c   13.29438931
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   137.32889057
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy6Si4Ir3Pt
_chemical_formula_sum   'Dy6 Si4 Ir3 Pt1'
_cell_volume   278.83359035
_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  0.77772631  0.22227369  0.60576810  1.0
  Dy  Dy1  1  0.51285514  0.48714486  0.25000000  1.0
  Dy  Dy2  1  0.22155357  0.77844643  0.39929405  1.0
  Dy  Dy3  1  0.77772631  0.22227369  0.89423190  1.0
  Dy  Dy4  1  0.48736165  0.51263835  0.75000000  1.0
  Dy  Dy5  1  0.22155357  0.77844643  0.10070595  1.0
  Si  Si6  1  0.06484661  0.93515339  0.59019491  1.0
  Si  Si7  1  0.06484661  0.93515339  0.90980509  1.0
  Si  Si8  1  0.93653695  0.06346305  0.41301232  1.0
  Si  Si9  1  0.93653695  0.06346305  0.08698768  1.0
  Ir  Ir10  1  0.19156909  0.80843091  0.75000000  1.0
  Ir  Ir11  1  0.50165344  0.49834656  0.99968036  1.0
  Ir  Ir12  1  0.50165344  0.49834656  0.50031964  1.0
  Pt  Pt13  1  0.80358035  0.19641965  0.25000000  1.0

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