HfGa4Co

High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-1018712 · Space group: P4/mmm (#123)

Materials Project API

Basic Information

Formula

HfGa4Co

MP-ID

mp-1018712

Elements

Sites

Density

7.9760

g/cm³

Volume

107.49

Å³

Cell a

4.0959

Cell b

4.0959

Cell c

6.4074

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

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
13.82	6.4074	1.5	(0,0,1)
21.70	4.0959	66.6	(1,0,0)
25.82	3.4510	19.2	(1,0,1)
30.87	2.8962	1.6	(1,1,0)
33.97	2.6392	27.8	(1,1,1)
35.58	2.5235	37.7	(1,0,2)
42.06	2.1484	100.0	(1,1,2)
42.32	2.1358	11.1	(0,0,3)
44.23	2.0480	51.0	(2,0,0)
48.04	1.8938	3.8	(1,0,3)
49.78	1.8317	14.4	(2,1,0)
51.92	1.7612	6.2	(2,1,1)
53.29	1.7189	1.9	(1,1,3)
57.54	1.6018	5.7	(0,0,4)
58.00	1.5902	18.1	(2,1,2)
62.23	1.4918	7.3	(1,0,4)
62.87	1.4782	13.7	(2,0,3)
64.33	1.4481	16.2	(2,2,0)
66.73	1.4017	1.1	(1,1,4)
67.35	1.3904	2.9	(2,1,3)
68.76	1.3653	2.7	(3,0,0)
70.53	1.3353	1.3	(3,0,1)
74.78	1.2696	5.9	(3,1,1)
75.32	1.2617	10.1	(2,0,4)

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Energy Properties

Formation Energy/atom

-0.24091

eV/atom

Energy/atom

-17.60037

eV/atom

Energy above Hull

0.1454

eV/atom

Uncorrected Energy

-5.1098

eV/atom

Volume/atom

17.92

Å³

c/a Ratio

1.5643

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0001

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

K_VRH

94.047

GPa

G_VRH

54.445

GPa

Young's Modulus E

136.914

GPa

Poisson Ratio ν

0.257

Pugh Ratio K/G

1.727

Vickers Hardness Est.

7.935

GPa

Ductility

Ductile

Anisotropy

1.046

Lame λ

57.750

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ga · 0.667

Element Family

PostTransition-Noble

Solute Fraction

0.333

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.8676

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.2129

J/mol·K

Ω Parameter

0.5871

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

7.540%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1969

smaller = more stable mixing

VEC

4.167

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-11.233

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7897

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.529

Family

Ga-rich Multi-Component

Matrix Element

Ga · 0.667

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

1.0460

Homogeneous Poisson ν

0.2570

Debye Temperature

330.2

Sound Velocity

2,903.1

m/s

Homogeneity

0.2570

Related Tasks

Related computation task IDs (5)

aaadmszq aaadrbdm aaaeftef aaaeujzw aaafxhdd

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1018712

Reference Citation

The crystal structure and related material properties of HfGa4Co were obtained from the Materials Project database (MP-ID: mp-1018712, 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_HfGa4Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.09590300
_cell_length_b   4.09590300
_cell_length_c   6.40737200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfGa4Co
_chemical_formula_sum   'Hf1 Ga4 Co1'
_cell_volume   107.49277265
_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  0.50000000  0.00000000  0.70678800  1.0
  Ga  Ga2  1  0.00000000  0.50000000  0.70678800  1.0
  Ga  Ga3  1  0.50000000  0.00000000  0.29321200  1.0
  Ga  Ga4  1  0.00000000  0.50000000  0.29321200  1.0
  Co  Co5  1  0.00000000  0.00000000  0.50000000  1.0

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