ErGa5Co

High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-1025225 · Space group: P4/mmm (#123)

Materials Project API

Basic Information

Formula

ErGa5Co

MP-ID

mp-1025225

Elements

Sites

Density

8.2226

g/cm³

Volume

116.08

Å³

Cell a

4.1564

Cell b

4.1564

Cell c

6.7195

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
13.18	6.7195	6.4	(0,0,1)
21.38	4.1564	12.0	(1,0,0)
21.38	4.1564	12.0	(0,1,0)
26.53	3.3598	2.2	(0,0,2)
33.27	2.6927	53.7	(1,1,1)
34.32	2.6129	7.2	(1,0,2)
34.32	2.6129	7.2	(0,1,2)
40.26	2.2398	19.2	(0,0,3)
40.79	2.2121	100.0	(1,1,2)
43.55	2.0782	27.6	(2,0,0)
43.55	2.0782	27.6	(0,2,0)
49.01	1.8588	2.6	(2,1,0)
49.01	1.8588	2.6	(1,2,0)
51.28	1.7815	1.4	(1,1,3)
54.63	1.6799	4.0	(0,0,4)
56.59	1.6265	3.4	(2,1,2)
56.59	1.6265	3.4	(1,2,2)
59.34	1.5575	1.5	(1,0,4)
59.34	1.5575	1.5	(0,1,4)
60.80	1.5234	11.3	(2,0,3)
60.80	1.5234	11.3	(0,2,3)
63.28	1.4695	17.6	(2,2,0)
63.82	1.4585	7.9	(1,1,4)
72.33	1.3064	3.4	(2,0,4)

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Energy Properties

Formation Energy/atom

-0.46327

eV/atom

Energy/atom

-4.29779

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-15.3710

eV/atom

Volume/atom

16.58

Å³

c/a Ratio

1.6167

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

86.188

GPa

G_VRH

52.911

GPa

Young's Modulus E

131.769

GPa

Poisson Ratio ν

0.245

Pugh Ratio K/G

1.629

Vickers Hardness Est.

8.518

GPa

Ductility

Ductile

Anisotropy

0.059

Lame λ

50.914

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

8.5810

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

10.757%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2050

smaller = more stable mixing

VEC

5.143

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-0.560

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7248

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.616

Family

Ga-rich Multi-Component

Matrix Element

Ga · 0.714

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.0590

Homogeneous Poisson ν

0.2450

Debye Temperature

368.4

Sound Velocity

2,814.6

m/s

Homogeneity

0.2450

Related Tasks

Related computation task IDs (5)

aaadmqkv aaadsrtj aaaemugn aaaeunmr aaafxhto

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1025225

Reference Citation

The crystal structure and related material properties of ErGa5Co were obtained from the Materials Project database (MP-ID: mp-1025225, 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_ErGa5Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.15635977
_cell_length_b   4.15635774
_cell_length_c   6.71951714
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ErGa5Co
_chemical_formula_sum   'Er1 Ga5 Co1'
_cell_volume   116.08179607
_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
  Er  Er0  1  -0.00000000  0.00000000  -0.00000000  1.0
  Ga  Ga1  1  0.00000000  0.50000000  0.31011805  1.0
  Ga  Ga2  1  -0.00000000  0.50000000  0.68988195  1.0
  Ga  Ga3  1  0.50000000  -0.00000000  0.31011805  1.0
  Ga  Ga4  1  0.50000000  0.00000000  0.68988195  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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