Dy4Ho(InSb)2

High-Entropy Materials HEA

MP-ID: mp-3294189 · Space group: Cmce (#64)

Materials Project API

Basic Information

Formula

Dy4Ho(InSb)2

MP-ID

mp-3294189

Elements

Sites

Density

8.3982

g/cm³

Volume

509.38

Å³

Cell a

8.7630

Cell b

8.7630

Cell c

8.1002

α Angle

90.00

β Angle

90.00

γ Angle

125.02

Space Group

Cmce

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
11.38	7.7738	7.7	(1,-1,0)
21.95	4.0501	1.0	(0,0,2)
22.88	3.8869	2.3	(2,-2,0)
24.60	3.6186	22.3	(1,1,1)
25.25	3.5271	10.3	(1,0,2)
27.18	3.2806	21.5	(2,0,1)
30.10	2.9686	100.0	(2,-1,2)
31.25	2.8619	44.7	(1,1,2)
31.91	2.8044	38.9	(2,-2,2)
31.93	2.8026	20.9	(1,-3,0)
31.93	2.8026	20.9	(3,-1,0)
32.78	2.7324	30.4	(3,-2,1)
33.84	2.6485	84.1	(3,-1,1)
34.62	2.5913	25.9	(3,-3,0)
35.52	2.5271	59.8	(1,0,3)
35.56	2.5245	61.5	(2,1,1)
38.15	2.3592	22.0	(3,-2,2)
39.09	2.3046	1.3	(3,-1,2)
39.24	2.2961	3.9	(2,-1,3)
39.27	2.2941	2.2	(0,3,1)
39.27	2.2941	2.2	(3,0,1)
40.16	2.2457	1.6	(1,1,3)
40.61	2.2215	4.0	(2,1,2)
41.87	2.1575	2.9	(2,0,3)

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Energy Properties

Formation Energy/atom

-0.93413

eV/atom

Energy/atom

-29.53173

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-29.5317

eV/atom

Volume/atom

28.30

Å³

c/a Ratio

0.9244

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

1.9638

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.003860

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Dy · 0.444

Element Family

Lanthanide

Solute Fraction

0.556

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.2730

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.5840

J/mol·K

Ω Parameter

4.4774

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

7.178%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3559

smaller = more stable mixing

VEC

7.444

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-2.921

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9183

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahflbp

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3294189

Reference Citation

The crystal structure and related material properties of Dy4Ho(InSb)2 were obtained from the Materials Project database (MP-ID: mp-3294189, 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_Dy4Ho(InSb)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.76302533
_cell_length_b   8.76302633
_cell_length_c   8.10022888
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   125.02459930
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy4Ho(InSb)2
_chemical_formula_sum   'Dy8 Ho2 In4 Sb4'
_cell_volume   509.37704946
_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  0.03330180  0.30586725  0.33371290  1.0
  Dy  Dy1  1  0.96669820  0.69413275  0.66628710  1.0
  Dy  Dy2  1  0.46669820  0.19413275  0.83371290  1.0
  Dy  Dy3  1  0.80586725  0.53330180  0.16628710  1.0
  Dy  Dy4  1  0.53330180  0.80586725  0.16628710  1.0
  Dy  Dy5  1  0.19413275  0.46669820  0.83371290  1.0
  Dy  Dy6  1  0.69413275  0.96669820  0.66628710  1.0
  Dy  Dy7  1  0.30586725  0.03330180  0.33371290  1.0
  Ho  Ho8  1  0.00000000  0.00000000  0.00000000  1.0
  Ho  Ho9  1  0.50000000  0.50000000  0.50000000  1.0
  In  In10  1  0.37131220  0.37131220  0.12814799  1.0
  In  In11  1  0.62868780  0.62868780  0.87185201  1.0
  In  In12  1  0.12868780  0.12868780  0.62814799  1.0
  In  In13  1  0.87131220  0.87131220  0.37185201  1.0
  Sb  Sb14  1  0.79684813  0.20315187  0.00000000  1.0
  Sb  Sb15  1  0.20315187  0.79684813  0.00000000  1.0
  Sb  Sb16  1  0.70315187  0.29684813  0.50000000  1.0
  Sb  Sb17  1  0.29684813  0.70315187  0.50000000  1.0

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