Y5Ho15(Cd3Fe)2

High-Entropy Materials HEA

MP-ID: mp-3292847 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

Y5Ho15(Cd3Fe)2

MP-ID

mp-3292847

Elements

Sites

Density

8.0522

g/cm³

Volume

763.98

Å³

Cell a

9.4802

Cell b

9.4802

Cell c

9.8096

α Angle

90.00

β Angle

90.00

γ Angle

119.94

Space Group

Amm2

Point Group

mm2

Crystal System

Orthorhombic

Bravais Lattice

Stability

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
10.77	8.2150	1.6	(0,1,-1,0)
10.77	8.2150	1.6	(1,0,-1,0)
10.78	8.2076	7.9	(1,-1,0,0)
14.06	6.2982	12.4	(1,0,-1,1)
14.07	6.2949	5.2	(1,-1,0,1)
18.09	4.9048	2.6	(0,0,0,2)
18.70	4.7444	1.8	(1,1,-2,0)
21.64	4.1075	2.1	(2,0,-2,0)
21.66	4.1038	1.3	(2,-2,0,0)
26.14	3.4085	2.9	(2,-1,-1,2)
28.34	3.1491	13.0	(2,0,-2,2)
28.36	3.1474	5.9	(2,-2,0,2)
28.74	3.1058	23.6	(2,1,-3,0)
28.76	3.1038	28.6	(3,-1,-2,0)
28.77	3.1026	26.2	(3,-2,-1,0)
29.40	3.0381	57.1	(1,0,-1,3)
29.40	3.0377	29.2	(1,-1,0,3)
32.70	2.7384	12.5	(0,3,-3,0)
32.70	2.7384	12.5	(3,0,-3,0)
32.73	2.7359	11.6	(3,-3,0,0)
33.99	2.6375	100.0	(3,0,-3,1)
34.02	2.6353	51.1	(3,-3,0,1)
34.17	2.6240	91.3	(2,1,-3,2)
34.19	2.6228	79.2	(3,-1,-2,2)

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Energy Properties

Formation Energy/atom

-0.17316

eV/atom

Energy/atom

-26.75334

eV/atom

Energy above Hull

0.0030

eV/atom

Uncorrected Energy

-26.7533

eV/atom

Volume/atom

27.28

Å³

c/a Ratio

1.0348

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

3.3888

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.004440

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ho · 0.536

Element Family

Lanthanide

Solute Fraction

0.464

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.1606

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.6493

J/mol·K

Ω Parameter

4.5381

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

9.250%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2271

smaller = more stable mixing

VEC

9.571

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-3.204

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8372

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfjbz

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3292847

Reference Citation

The crystal structure and related material properties of Y5Ho15(Cd3Fe)2 were obtained from the Materials Project database (MP-ID: mp-3292847, 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_Y5Ho15(Cd3Fe)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.48019658
_cell_length_b   9.48019767
_cell_length_c   9.80961962
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.94012324
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y5Ho15(Cd3Fe)2
_chemical_formula_sum   'Y5 Ho15 Cd6 Fe2'
_cell_volume   763.97518806
_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
  Y  Y0  1  0.54142878  0.08347535  0.25000000  1.0
  Y  Y1  1  0.91652465  0.45857122  0.25000000  1.0
  Y  Y2  1  0.45853651  0.54146349  0.75000000  1.0
  Y  Y3  1  0.45856440  0.91736499  0.75000000  1.0
  Y  Y4  1  0.08263501  0.54143560  0.75000000  1.0
  Ho  Ho5  1  0.00013217  0.99986783  0.49985034  1.0
  Ho  Ho6  1  0.00013217  0.99986783  0.00014966  1.0
  Ho  Ho7  1  0.54104610  0.45895390  0.25000000  1.0
  Ho  Ho8  1  0.21194407  0.78805593  0.43724892  1.0
  Ho  Ho9  1  0.21254383  0.42366202  0.43687429  1.0
  Ho  Ho10  1  0.57633798  0.78745617  0.43687429  1.0
  Ho  Ho11  1  0.78821690  0.21178310  0.56289544  1.0
  Ho  Ho12  1  0.78757773  0.57607232  0.56217911  1.0
  Ho  Ho13  1  0.42392768  0.21242227  0.56217911  1.0
  Ho  Ho14  1  0.78821690  0.21178310  0.93710456  1.0
  Ho  Ho15  1  0.78757773  0.57607232  0.93782089  1.0
  Ho  Ho16  1  0.42392768  0.21242227  0.93782089  1.0
  Ho  Ho17  1  0.21194407  0.78805593  0.06275108  1.0
  Ho  Ho18  1  0.21254383  0.42366202  0.06312571  1.0
  Ho  Ho19  1  0.57633798  0.78745617  0.06312571  1.0
  Cd  Cd20  1  0.88707718  0.11292282  0.25000000  1.0
  Cd  Cd21  1  0.88576344  0.77326024  0.25000000  1.0
  Cd  Cd22  1  0.22673976  0.11423656  0.25000000  1.0
  Cd  Cd23  1  0.11296710  0.88703290  0.75000000  1.0
  Cd  Cd24  1  0.11298876  0.22579288  0.75000000  1.0
  Cd  Cd25  1  0.77420712  0.88701124  0.75000000  1.0
  Fe  Fe26  1  0.33363765  0.66636235  0.25000000  1.0
  Fe  Fe27  1  0.66652284  0.33347716  0.75000000  1.0

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