HfGa5Co

High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-1025193 · Space group: P4/mmm (#123)

Materials Project API

Basic Information

Formula

HfGa5Co

MP-ID

mp-1025193

Elements

Sites

Density

8.8901

g/cm³

Volume

109.46

Å³

Cell a

4.0962

Cell b

4.0962

Cell c

6.5240

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

P4/mmm

Point Group

4/mmm

Crystal System

Tetragonal

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
13.57	6.5240	10.2	(0,0,1)
21.70	4.0962	25.3	(1,0,0)
25.68	3.4691	1.8	(1,0,1)
27.34	3.2620	1.7	(0,0,2)
33.86	2.6473	49.0	(1,1,1)
35.17	2.5517	14.8	(1,0,2)
41.53	2.1747	16.5	(0,0,3)
41.70	2.1659	100.0	(1,1,2)
44.22	2.0481	52.7	(2,0,0)
46.47	1.9541	2.1	(2,0,1)
49.78	1.8319	5.5	(2,1,0)
52.78	1.7345	1.2	(2,0,2)
56.42	1.6310	4.9	(0,0,4)
57.72	1.5972	7.1	(2,1,2)
61.16	1.5153	3.0	(1,0,4)
62.27	1.4910	19.7	(2,0,3)
64.33	1.4482	16.7	(2,2,0)
65.70	1.4212	5.3	(1,1,4)
68.75	1.3654	1.0	(3,0,0)
74.35	1.2759	8.5	(2,0,4)
74.71	1.2705	10.0	(3,1,1)
75.48	1.2595	1.6	(3,0,2)
78.52	1.2181	2.9	(2,1,4)
79.52	1.2054	9.7	(2,2,3)

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Energy Properties

Formation Energy/atom

-0.35505

eV/atom

Energy/atom

-16.86927

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-16.8693

eV/atom

Volume/atom

15.64

Å³

c/a Ratio

1.5927

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

K_VRH

103.655

GPa

G_VRH

52.044

GPa

Young's Modulus E

133.748

GPa

Poisson Ratio ν

0.285

Pugh Ratio K/G

1.992

Vickers Hardness Est.

6.016

GPa

Ductility

Brittle

Anisotropy

0.176

Lame λ

68.959

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ga · 0.714

Element Family

PostTransition-Noble

Solute Fraction

0.286

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.7963

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

6.6205

J/mol·K

Ω Parameter

0.5719

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

7.023%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1841

smaller = more stable mixing

VEC

4.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-9.572

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7248

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.656

Family

Ga-rich Multi-Component

Matrix Element

Ga · 0.714

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.1760

Homogeneous Poisson ν

0.2850

Debye Temperature

321.1

Sound Velocity

2,697.5

m/s

Homogeneity

0.2850

Related Tasks

Related computation task IDs (5)

aaadomak aaadvrco aaaemlqd aaaesohk aaafblgd

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1025193

Reference Citation

The crystal structure and related material properties of HfGa5Co were obtained from the Materials Project database (MP-ID: mp-1025193, 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_HfGa5Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.09617121
_cell_length_b   4.09617121
_cell_length_c   6.52397661
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfGa5Co
_chemical_formula_sum   'Hf1 Ga5 Co1'
_cell_volume   109.46331517
_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
  Hf  Hf0  1  -0.00000000  0.00000000  -0.00000000  1.0
  Ga  Ga1  1  0.00000000  0.50000000  0.30351829  1.0
  Ga  Ga2  1  0.00000000  0.50000000  0.69648171  1.0
  Ga  Ga3  1  0.50000000  0.00000000  0.30351829  1.0
  Ga  Ga4  1  0.50000000  -0.00000000  0.69648171  1.0
  Ga  Ga5  1  0.50000000  0.50000000  -0.00000000  1.0
  Co  Co6  1  -0.00000000  0.00000000  0.50000000  1.0

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