DyCdNi4

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1071811 · Space group: F-43m (#216)

Materials Project API

Basic Information

Formula

DyCdNi4

MP-ID

mp-1071811

Elements

Sites

Density

10.0512

g/cm³

Volume

84.20

Å³

Cell a

4.9197

Cell b

4.9197

Cell c

4.9197

α Angle

60.00

β Angle

60.00

γ Angle

60.00

Space Group

F-43m

Point Group

-43m

Crystal System

Cubic

Bravais Lattice

Stability

Yes

Packing Fraction

0.7405

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
22.13	4.0171	12.6	(0,1,0)
22.13	4.0171	12.6	(0,0,1)
22.13	4.0171	12.6	(1,0,0)
22.13	4.0168	12.6	(1,1,1)
25.61	3.4788	8.8	(1,1,0)
25.61	3.4788	4.4	(1,0,1)
36.53	2.4600	57.0	(0,1,-1)
36.53	2.4600	57.0	(1,-1,0)
36.53	2.4600	57.0	(1,0,-1)
36.53	2.4598	57.0	(1,2,1)
36.53	2.4598	57.0	(1,1,2)
36.53	2.4598	57.0	(2,1,1)
43.12	2.0979	50.0	(1,-1,1)
43.12	2.0979	50.0	(1,1,-1)
43.12	2.0979	50.0	(1,-1,-1)
43.12	2.0978	50.0	(1,2,0)
43.12	2.0978	100.0	(1,0,2)
43.12	2.0978	50.0	(0,1,2)
43.12	2.0978	50.0	(2,0,1)
43.12	2.0978	50.0	(2,1,0)
43.12	2.0977	50.0	(1,2,2)
43.12	2.0977	50.0	(2,2,1)
43.12	2.0977	50.0	(2,1,2)
45.14	2.0086	28.5	(0,2,0)

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Energy Properties

Formation Energy/atom

-0.34708

eV/atom

Energy/atom

-5.13024

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-17.0012

eV/atom

Volume/atom

14.03

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.7252

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.008610

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ni · 0.667

Element Family

3d-TM

Solute Fraction

0.333

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.8676

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.2129

J/mol·K

Ω Parameter

8.7493

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

14.341%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2538

smaller = more stable mixing

VEC

10.333

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

1.262

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7897

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.711

Family

Ni-based Alloy

Matrix Element

Ni · 0.667

Related Tasks

Related computation task IDs (5)

aaacizpu aaadsrsy aaaemtaw aaaeqtnz aaafiljr

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1071811

Reference Citation

The crystal structure and related material properties of DyCdNi4 were obtained from the Materials Project database (MP-ID: mp-1071811, 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_DyCdNi4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.91965601
_cell_length_b   4.91966473
_cell_length_c   4.91966207
_cell_angle_alpha   60.00440090
_cell_angle_beta   60.00434847
_cell_angle_gamma   60.00436254
_symmetry_Int_Tables_number   1
_chemical_formula_structural   DyCdNi4
_chemical_formula_sum   'Dy1 Cd1 Ni4'
_cell_volume   84.20416047
_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  0.25000136  0.25000213  0.25000180  1.0
  Cd  Cd1  1  0.00000535  1.00000125  1.00000433  1.0
  Ni  Ni2  1  0.62616930  0.62616966  0.12148648  1.0
  Ni  Ni3  1  0.62616941  0.12148717  0.62616902  1.0
  Ni  Ni4  1  0.12148695  0.62616939  0.62616861  1.0
  Ni  Ni5  1  0.62616963  0.62617040  0.62616975  1.0

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