Dy2FeSi5Pt2

High-Entropy Materials HEA

MP-ID: mp-3292193 · Space group: Ibam (#72)

Materials Project API

Basic Information

Formula

Dy2FeSi5Pt2

MP-ID

mp-3292193

Elements

Sites

Density

9.3909

g/cm³

Volume

322.33

Å³

Cell a

8.0361

Cell b

8.0361

Cell c

8.0361

α Angle

137.77

β Angle

104.38

γ Angle

90.63

Space Group

Ibam

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
11.92	7.4266	56.1	(1,0,0)
15.68	5.6508	1.4	(1,1,-1)
18.01	4.9263	11.2	(1,-1,1)
23.96	3.7133	1.3	(2,0,0)
25.01	3.5608	51.5	(2,-1,0)
25.31	3.5188	21.0	(2,1,-1)
25.31	3.5188	21.0	(1,2,-2)
28.30	3.1537	20.5	(2,-1,1)
30.89	2.8947	67.4	(1,-1,-1)
31.67	2.8254	57.7	(2,2,-2)
33.22	2.6971	28.5	(1,0,-2)
33.72	2.6584	3.7	(1,2,-3)
34.82	2.5764	3.3	(2,0,-2)
35.20	2.5494	100.0	(2,0,1)
35.20	2.5494	100.0	(3,-1,0)
35.99	2.4958	43.7	(0,0,2)
36.29	2.4756	8.4	(3,0,0)
36.29	2.4756	8.4	(0,3,-3)
36.67	2.4509	37.7	(3,1,-1)
40.35	2.2355	25.9	(2,1,-3)
40.60	2.2223	11.8	(2,-1,2)
40.97	2.2031	3.7	(3,2,-2)
42.38	2.1326	2.7	(0,1,-3)
42.38	2.1326	2.7	(3,-2,0)

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Energy Properties

Formation Energy/atom

-0.91425

eV/atom

Energy/atom

-23.43638

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-23.4364

eV/atom

Volume/atom

16.12

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0078

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000020

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Si · 0.500

Element Family

Metalloid-Nonmetal

Solute Fraction

0.500

Interstitial Fraction

0.500

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.2206

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.1481

J/mol·K

Ω Parameter

1.2764

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

16.567%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3426

smaller = more stable mixing

VEC

6.800

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-14.063

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8805

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahficv

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3292193

Reference Citation

The crystal structure and related material properties of Dy2FeSi5Pt2 were obtained from the Materials Project database (MP-ID: mp-3292193, 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_Dy2FeSi5Pt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.03613638
_cell_length_b   8.03613599
_cell_length_c   8.03613671
_cell_angle_alpha   137.77334076
_cell_angle_beta   104.38451937
_cell_angle_gamma   90.63483843
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy2FeSi5Pt2
_chemical_formula_sum   'Dy4 Fe2 Si10 Pt4'
_cell_volume   322.32809396
_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  0.60087557  0.36937273  0.23150384  1.0
  Dy  Dy1  1  0.39912443  0.63062727  0.76849616  1.0
  Dy  Dy2  1  0.13786890  0.86937273  0.26849616  1.0
  Dy  Dy3  1  0.86213110  0.13062727  0.73150384  1.0
  Fe  Fe4  1  0.00000000  0.75000000  0.75000000  1.0
  Fe  Fe5  1  0.00000000  0.25000000  0.25000000  1.0
  Si  Si6  1  0.50000000  0.25000000  0.75000000  1.0
  Si  Si7  1  0.50000000  0.75000000  0.25000000  1.0
  Si  Si8  1  0.21839860  0.46839860  0.25000000  1.0
  Si  Si9  1  0.78160140  0.03160140  0.25000000  1.0
  Si  Si10  1  0.78160140  0.53160140  0.75000000  1.0
  Si  Si11  1  0.21839860  0.96839860  0.75000000  1.0
  Si  Si12  1  0.95284411  0.59732363  0.35552148  1.0
  Si  Si13  1  0.04715589  0.40267637  0.64447852  1.0
  Si  Si14  1  0.24180214  0.09732363  0.14447852  1.0
  Si  Si15  1  0.75819786  0.90267637  0.85552148  1.0
  Pt  Pt16  1  0.52420240  0.14036058  0.38384182  1.0
  Pt  Pt17  1  0.47579760  0.85963942  0.61615818  1.0
  Pt  Pt18  1  0.75651876  0.64036058  0.11615818  1.0
  Pt  Pt19  1  0.24348124  0.35963942  0.88384182  1.0

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