Ho(FeGe)2

High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-3065 · Space group: I4/mmm (#139)

Materials Project API

Basic Information

Formula

Ho(FeGe)2

MP-ID

mp-3065

Elements

Sites

Density

8.5001

g/cm³

Volume

82.42

Å³

Cell a

6.0863

Cell b

6.0863

Cell c

6.0863

α Angle

142.66

β Angle

142.66

γ Angle

53.84

Space Group

I4/mmm

Point Group

4/mmm

Crystal System

Tetragonal

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
16.33	5.4267	7.5	(1,1,-1)
24.27	3.6679	7.2	(1,0,-1)
32.49	2.7557	28.5	(1,-1,0)
33.01	2.7134	6.7	(2,2,-2)
33.81	2.6515	81.1	(2,1,-2)
36.57	2.4571	100.0	(2,0,-1)
46.61	1.9486	50.7	(1,-1,1)
47.00	1.9334	5.0	(3,1,-2)
47.97	1.8964	45.4	(3,2,-3)
49.72	1.8339	2.2	(2,0,-2)
53.23	1.7208	1.9	(2,-1,-1)
58.30	1.5827	5.0	(3,1,-3)
58.81	1.5702	32.9	(3,0,-2)
61.30	1.5122	11.1	(4,2,-3)
64.70	1.4407	3.0	(4,3,-4)
68.04	1.3779	15.8	(2,-2,0)
69.12	1.3590	30.2	(4,1,-3)
69.25	1.3567	6.7	(4,4,-4)
77.45	1.2324	5.1	(2,-2,1)
77.73	1.2285	2.0	(4,0,-2)
78.18	1.2226	7.2	(3,0,-3)
78.60	1.2172	3.9	(4,4,-5)
79.80	1.2018	19.4	(3,-1,-2)
83.44	1.1584	3.0	(5,2,-4)

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Energy Properties

Formation Energy/atom

-0.44137

eV/atom

Energy/atom

-6.59812

eV/atom

Energy above Hull

0.0025

eV/atom

Uncorrected Energy

-18.3624

eV/atom

Volume/atom

16.48

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

5.2797

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.064060

μB/Å³

Elastic Properties

K_VRH

108.973

GPa

G_VRH

26.204

GPa

Young's Modulus E

72.778

GPa

Poisson Ratio ν

0.389

Pugh Ratio K/G

4.159

Vickers Hardness Est.

0.000

GPa

Ductility

Brittle

Anisotropy

2.718

Lame λ

91.504

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Fe · 0.400

Element Family

3d-TM

Solute Fraction

0.600

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0549

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.7706

J/mol·K

Ω Parameter

2.5102

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

14.627%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2875

smaller = more stable mixing

VEC

7.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

5.436

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9602

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.605

Family

Fe-rich Multi-Component

Matrix Element

Fe · 0.400

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

2.7180

Homogeneous Poisson ν

0.3890

Debye Temperature

273.8

Sound Velocity

1,984.5

m/s

Homogeneity

0.3890

Related Tasks

Related computation task IDs (5)

aaadmkiu aaaeurge aaafajud aaafxhna aaagagnc

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3065

Reference Citation

The crystal structure and related material properties of Ho(FeGe)2 were obtained from the Materials Project database (MP-ID: mp-3065, 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_Ho(FeGe)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.08632882
_cell_length_b   6.08632882
_cell_length_c   6.08632882
_cell_angle_alpha   142.65521929
_cell_angle_beta   142.65521929
_cell_angle_gamma   53.84304643
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho(FeGe)2
_chemical_formula_sum   'Ho1 Fe2 Ge2'
_cell_volume   82.42033358
_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  0.00000000  0.00000000  -0.00000000  1.0
  Fe  Fe1  1  0.75000000  0.25000000  0.50000000  1.0
  Fe  Fe2  1  0.25000000  0.75000000  0.50000000  1.0
  Ge  Ge3  1  0.61377559  0.61377559  0.00000000  1.0
  Ge  Ge4  1  0.38622441  0.38622441  -0.00000000  1.0

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