Ho20Cd5InNi2

High-Entropy Materials HEA

MP-ID: mp-3294329 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

Ho20Cd5InNi2

MP-ID

mp-3294329

Elements

Sites

Density

8.9078

g/cm³

Volume

762.97

Å³

Cell a

9.5909

Cell b

9.5909

Cell c

9.5962

α Angle

90.00

β Angle

90.00

γ Angle

120.19

Space Group

Amm2

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
21.38	4.1557	1.3	(1,-1,0,2)
21.40	4.1527	2.8	(1,0,-1,2)
26.27	3.3918	1.5	(2,-1,-1,2)
28.41	3.1418	8.2	(2,-2,0,2)
28.41	3.1411	15.4	(3,-2,-1,0)
28.45	3.1372	15.8	(3,-1,-2,0)
28.46	3.1366	18.1	(2,0,-2,2)
28.51	3.1307	15.8	(2,1,-3,0)
29.93	2.9854	25.1	(1,-1,0,3)
29.93	2.9852	2.1	(3,-2,-1,1)
29.94	2.9843	48.1	(1,0,-1,3)
29.97	2.9819	3.0	(3,-1,-2,1)
30.02	2.9763	2.1	(2,1,-3,1)
32.30	2.7713	11.1	(3,-3,0,0)
32.40	2.7633	11.6	(3,0,-3,0)
32.40	2.7633	11.6	(0,3,-3,0)
33.66	2.6625	51.6	(3,-3,0,1)
33.75	2.6554	100.0	(3,0,-3,1)
34.12	2.6280	65.5	(3,-2,-1,2)
34.15	2.6257	64.6	(3,-1,-2,2)
34.20	2.6219	31.9	(2,1,-3,2)
34.20	2.6219	31.9	(1,2,-3,2)
35.41	2.5351	25.1	(2,-2,0,3)
35.45	2.5323	51.5	(2,0,-2,3)

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Energy Properties

Formation Energy/atom

-0.30072

eV/atom

Energy/atom

-29.03979

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-29.0398

eV/atom

Volume/atom

27.25

Å³

c/a Ratio

1.0006

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.7641

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.001000

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ho · 0.714

Element Family

Lanthanide

Solute Fraction

0.286

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.8555

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.1125

J/mol·K

Ω Parameter

28.2979

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

8.963%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2429

smaller = more stable mixing

VEC

10.821

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-0.373

kJ/mol; negative = exothermic mixing

Entropy Norm

0.6171

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahflgz

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3294329

Reference Citation

The crystal structure and related material properties of Ho20Cd5InNi2 were obtained from the Materials Project database (MP-ID: mp-3294329, 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_Ho20Cd5InNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.59092153
_cell_length_b   9.59092114
_cell_length_c   9.59620293
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.19197538
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho20Cd5InNi2
_chemical_formula_sum   'Ho20 Cd5 In1 Ni2'
_cell_volume   762.96976464
_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
  Ho  Ho0  1  0.00259289  0.99740711  0.50292864  1.0
  Ho  Ho1  1  0.00259289  0.99740711  0.99707136  1.0
  Ho  Ho2  1  0.54305278  0.45694722  0.25000000  1.0
  Ho  Ho3  1  0.53906599  0.08884603  0.25000000  1.0
  Ho  Ho4  1  0.91115397  0.46093401  0.25000000  1.0
  Ho  Ho5  1  0.45487338  0.54512662  0.75000000  1.0
  Ho  Ho6  1  0.45641163  0.91261632  0.75000000  1.0
  Ho  Ho7  1  0.08738368  0.54358837  0.75000000  1.0
  Ho  Ho8  1  0.21167163  0.78832837  0.43643085  1.0
  Ho  Ho9  1  0.21040987  0.42136511  0.43536518  1.0
  Ho  Ho10  1  0.57863489  0.78959013  0.43536518  1.0
  Ho  Ho11  1  0.78916415  0.21083585  0.56304218  1.0
  Ho  Ho12  1  0.78807705  0.57747241  0.56521975  1.0
  Ho  Ho13  1  0.42252759  0.21192295  0.56521975  1.0
  Ho  Ho14  1  0.78916415  0.21083585  0.93695782  1.0
  Ho  Ho15  1  0.78807705  0.57747241  0.93478025  1.0
  Ho  Ho16  1  0.42252759  0.21192295  0.93478025  1.0
  Ho  Ho17  1  0.21167163  0.78832837  0.06356915  1.0
  Ho  Ho18  1  0.21040987  0.42136511  0.06463482  1.0
  Ho  Ho19  1  0.57863489  0.78959013  0.06463482  1.0
  Cd  Cd20  1  0.88481204  0.76975502  0.25000000  1.0
  Cd  Cd21  1  0.23024498  0.11518796  0.25000000  1.0
  Cd  Cd22  1  0.11689876  0.88310124  0.75000000  1.0
  Cd  Cd23  1  0.11517218  0.23134098  0.75000000  1.0
  Cd  Cd24  1  0.76865902  0.88482782  0.75000000  1.0
  In  In25  1  0.88434828  0.11565172  0.25000000  1.0
  Ni  Ni26  1  0.33348810  0.66651190  0.25000000  1.0
  Ni  Ni27  1  0.66828207  0.33171793  0.75000000  1.0

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