DyCd(NiPt)2

High-Entropy Materials HEA

MP-ID: mp-3247802 · Space group: Imm2 (#44)

Materials Project API

Basic Information

Formula

DyCd(NiPt)2

MP-ID

mp-3247802

Elements

Sites

Density

13.4777

g/cm³

Volume

96.40

Å³

Cell a

5.0059

Cell b

5.1288

Cell c

5.1288

α Angle

63.33

β Angle

60.79

γ Angle

60.79

Space Group

Imm2

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
20.65	4.3020	3.0	(0,1,0)
21.67	4.1013	24.0	(1,1,1)
24.28	3.6664	1.2	(1,1,0)
24.90	3.5764	18.4	(0,1,1)
35.05	2.5601	15.9	(1,2,1)
35.05	2.5601	15.9	(1,1,2)
35.88	2.5030	27.6	(2,1,1)
40.06	2.2508	100.0	(1,1,-1)
41.42	2.1801	15.5	(0,2,1)
41.75	2.1634	6.7	(2,0,1)
41.75	2.1634	20.0	(2,2,1)
41.97	2.1526	40.5	(1,2,2)
42.00	2.1510	16.1	(0,2,0)
42.00	2.1510	16.1	(0,0,2)
44.17	2.0506	15.6	(2,2,2)
44.17	2.0506	15.6	(2,0,0)
49.74	1.8332	2.3	(2,0,2)
49.74	1.8332	2.3	(2,2,0)
51.08	1.7882	2.2	(0,2,2)
54.58	1.6813	2.7	(1,-2,0)
54.58	1.6813	2.7	(1,1,3)
56.40	1.6314	3.4	(2,-1,1)
56.40	1.6314	3.4	(2,1,3)
56.64	1.6250	2.0	(3,2,2)

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Energy Properties

Formation Energy/atom

-0.69277

eV/atom

Energy/atom

-30.53038

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-30.5304

eV/atom

Volume/atom

16.07

Å³

c/a Ratio

1.0246

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.6062

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.006290

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ni · 0.333

Element Family

3d-TM

Solute Fraction

0.667

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.3297

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

11.0548

J/mol·K

Ω Parameter

3.8539

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

12.319%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3637

smaller = more stable mixing

VEC

10.333

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-4.691

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9591

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahculm

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3247802

Reference Citation

The crystal structure and related material properties of DyCd(NiPt)2 were obtained from the Materials Project database (MP-ID: mp-3247802, 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_DyCd(NiPt)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.00589574
_cell_length_b   5.12877822
_cell_length_c   5.12877764
_cell_angle_alpha   63.33141652
_cell_angle_beta   60.78944749
_cell_angle_gamma   60.78945536
_symmetry_Int_Tables_number   1
_chemical_formula_structural   DyCd(NiPt)2
_chemical_formula_sum   'Dy1 Cd1 Ni2 Pt2'
_cell_volume   96.40461887
_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  0.24830981  0.25169019  0.25169019  1.0
  Cd  Cd1  1  0.00825601  0.99174399  0.99174399  1.0
  Ni  Ni2  1  0.12103791  0.62810256  0.62810256  1.0
  Ni  Ni3  1  0.62275797  0.62810256  0.62810256  1.0
  Pt  Pt4  1  0.62481965  0.62605595  0.12430674  1.0
  Pt  Pt5  1  0.62481965  0.12430674  0.62605595  1.0

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