Dy5Ni2Sb

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-9353 · Space group: I4/mcm (#140)

Materials Project API

Basic Information

Formula

Dy5Ni2Sb

MP-ID

mp-9353

Elements

Sites

Density

9.0993

g/cm³

Volume

383.83

Å³

Cell a

7.6281

Cell b

7.6281

Cell c

8.5199

α Angle

116.58

β Angle

116.58

γ Angle

90.01

Space Group

I4/mcm

Point Group

4/mmm

Crystal System

Tetragonal

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
13.42	6.5965	8.2	(0,0,1)
26.99	3.3031	24.5	(2,-1,0)
26.99	3.3030	24.5	(2,-1,-1)
27.00	3.3026	24.4	(2,1,-1)
27.00	3.3023	24.4	(2,1,-2)
27.00	3.3020	2.0	(2,0,0)
27.01	3.3017	2.0	(2,0,-2)
27.03	3.2982	9.6	(0,0,2)
31.80	2.8140	26.3	(1,1,1)
31.80	2.8140	52.6	(1,-1,2)
31.80	2.8136	26.3	(1,1,-3)
33.22	2.6973	19.7	(2,-2,0)
33.22	2.6966	19.7	(2,2,-2)
33.24	2.6957	72.1	(2,-1,1)
33.24	2.6956	72.1	(2,-1,-2)
33.24	2.6955	72.1	(2,1,0)
33.24	2.6951	72.0	(2,1,-3)
36.00	2.4949	58.1	(2,0,1)
36.00	2.4947	29.0	(0,2,-3)
36.00	2.4947	29.0	(2,0,-3)
37.27	2.4124	100.0	(3,-1,-1)
37.28	2.4120	100.0	(3,1,-2)
41.05	2.1988	14.5	(0,0,3)
43.34	2.0880	4.9	(2,-2,2)

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Energy Properties

Formation Energy/atom

-0.55207

eV/atom

Energy/atom

-5.39971

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-26.7782

eV/atom

Volume/atom

23.99

Å³

c/a Ratio

1.1169

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

μB

Mag. Ordering

Unknown

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 · 0.625

Element Family

Lanthanide

Solute Fraction

0.375

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9003

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.4847

J/mol·K

Ω Parameter

4.7752

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

13.973%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3589

smaller = more stable mixing

VEC

9.375

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-2.500

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8194

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.600

Family

Dy-rich Multi-Component

Matrix Element

Dy · 0.625

Related Tasks

Related computation task IDs (5)

aaadnnsx aaadtavv aaaelssu aaaetpxt aaafcfoy

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-9353

Reference Citation

The crystal structure and related material properties of Dy5Ni2Sb were obtained from the Materials Project database (MP-ID: mp-9353, 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_Dy5Ni2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.62805259
_cell_length_b   7.62805302
_cell_length_c   8.51989807
_cell_angle_alpha   116.58110116
_cell_angle_beta   116.58109939
_cell_angle_gamma   90.01403391
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy5Ni2Sb
_chemical_formula_sum   'Dy10 Ni4 Sb2'
_cell_volume   383.83057058
_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  0.20762094  0.02006360  0.72770081  1.0
  Dy  Dy1  1  0.02003793  0.52003793  0.72770272  1.0
  Dy  Dy2  1  0.70763219  0.20763219  0.72768000  1.0
  Dy  Dy3  1  0.97996207  0.47996207  0.27229728  1.0
  Dy  Dy4  1  0.52006360  0.70762094  0.72770081  1.0
  Dy  Dy5  1  0.79237906  0.97993640  0.27229919  1.0
  Dy  Dy6  1  0.47993640  0.29237906  0.27229919  1.0
  Dy  Dy7  1  0.29236781  0.79236781  0.27232000  1.0
  Dy  Dy8  1  0.50000000  0.50000000  -0.00000000  1.0
  Dy  Dy9  1  0.00000000  0.00000000  -0.00000000  1.0
  Ni  Ni10  1  0.36992758  0.86992758  0.00009061  1.0
  Ni  Ni11  1  0.13010900  0.36989100  0.00000000  1.0
  Ni  Ni12  1  0.63007242  0.13007242  0.99990939  1.0
  Ni  Ni13  1  0.86989100  0.63010900  -0.00000000  1.0
  Sb  Sb14  1  0.25000975  0.24999025  0.50000000  1.0
  Sb  Sb15  1  0.74999025  0.75000975  0.50000000  1.0

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