Dy12InNi4Rh

High-Entropy Materials HEA

MP-ID: mp-3292622 · Space group: Immm (#71)

Materials Project API

Basic Information

Formula

Dy12InNi4Rh

MP-ID

mp-3292622

Elements

Sites

Density

9.1012

g/cm³

Volume

438.34

Å³

Cell a

8.2918

Cell b

8.2918

Cell c

8.2918

α Angle

111.50

β Angle

109.38

γ Angle

107.55

Space Group

Immm

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
13.10	6.7584	2.4	(1,0,-1)
13.24	6.6869	1.1	(0,0,1)
26.01	3.4262	2.0	(0,2,-2)
26.37	3.3792	9.4	(2,0,-2)
26.66	3.3434	3.7	(0,0,2)
28.88	3.0920	5.9	(1,2,-2)
28.88	3.0920	5.9	(2,1,-1)
28.96	3.0832	16.5	(2,1,-2)
29.40	3.0377	14.1	(1,-2,2)
29.40	3.0377	14.1	(2,-1,1)
29.55	3.0229	6.6	(1,-1,2)
30.14	2.9652	7.5	(2,-1,-2)
30.20	2.9591	36.2	(1,-1,-2)
32.42	2.7618	100.0	(3,-1,-1)
34.59	2.5930	2.5	(1,2,-3)
34.59	2.5930	2.5	(2,1,0)
34.81	2.5775	55.3	(2,1,-3)
34.87	2.5727	65.5	(0,2,-3)
35.25	2.5458	21.1	(0,1,-3)
35.25	2.5458	7.0	(3,-2,0)
35.44	2.5330	2.0	(2,0,-3)
35.60	2.5216	15.8	(1,0,-3)
35.60	2.5216	15.8	(2,-3,0)
36.68	2.4499	11.9	(2,2,-2)

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Energy Properties

Formation Energy/atom

-0.43648

eV/atom

Energy/atom

-27.01555

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-27.0156

eV/atom

Volume/atom

24.35

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0193

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000040

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Dy · 0.667

Element Family

Lanthanide

Solute Fraction

0.333

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9257

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.6963

J/mol·K

Ω Parameter

8.1111

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

13.576%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3556

smaller = more stable mixing

VEC

9.556

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-1.568

kJ/mol; negative = exothermic mixing

Entropy Norm

0.6678

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfiti

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3292622

Reference Citation

The crystal structure and related material properties of Dy12InNi4Rh were obtained from the Materials Project database (MP-ID: mp-3292622, 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_Dy12InNi4Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.29183989
_cell_length_b   8.29184048
_cell_length_c   8.29184125
_cell_angle_alpha   111.50328174
_cell_angle_beta   109.38039290
_cell_angle_gamma   107.55415823
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy12InNi4Rh
_chemical_formula_sum   'Dy12 In1 Ni4 Rh1'
_cell_volume   438.34202831
_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  0.40089260  0.20947585  0.19141775  1.0
  Dy  Dy1  1  0.59910740  0.79052415  0.80858225  1.0
  Dy  Dy2  1  0.01805810  0.20947585  0.80858225  1.0
  Dy  Dy3  1  0.98194190  0.79052415  0.19141775  1.0
  Dy  Dy4  1  0.18307509  0.29823565  0.48131074  1.0
  Dy  Dy5  1  0.81692491  0.70176435  0.51868926  1.0
  Dy  Dy6  1  0.18307509  0.70176435  0.88483744  1.0
  Dy  Dy7  1  0.81692491  0.29823565  0.11516256  1.0
  Dy  Dy8  1  0.32234362  0.62771688  0.30537326  1.0
  Dy  Dy9  1  0.67765638  0.37228312  0.69462674  1.0
  Dy  Dy10  1  0.32234362  0.01697036  0.69462674  1.0
  Dy  Dy11  1  0.67765638  0.98302964  0.30537326  1.0
  In  In12  1  0.50000000  0.50000000  0.00000000  1.0
  Ni  Ni13  1  0.36767776  0.00000000  0.36767776  1.0
  Ni  Ni14  1  0.63232224  0.00000000  0.63232224  1.0
  Ni  Ni15  1  0.12425122  0.62425122  0.50000000  1.0
  Ni  Ni16  1  0.87574878  0.37574878  0.50000000  1.0
  Rh  Rh17  1  0.00000000  0.00000000  0.00000000  1.0

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