YGa5Co

High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-1025375 · Space group: P4/mmm (#123)

Materials Project API

Basic Information

Formula

YGa5Co

MP-ID

mp-1025375

Elements

Sites

Density

6.9695

g/cm³

Volume

118.28

Å³

Cell a

4.1783

Cell b

4.1783

Cell c

6.7752

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
21.26	4.1783	9.5	(1,0,0)
25.04	3.5564	3.9	(1,0,1)
30.25	2.9545	2.7	(1,1,0)
33.08	2.7082	42.6	(1,1,1)
34.07	2.6314	5.4	(1,0,2)
39.92	2.2584	19.2	(0,0,3)
40.51	2.2266	100.0	(1,1,2)
43.31	2.0892	58.9	(2,0,0)
48.73	1.8686	1.9	(2,1,0)
50.68	1.8014	1.1	(2,1,1)
50.89	1.7943	7.6	(1,1,3)
54.15	1.6938	2.8	(0,0,4)
56.22	1.6362	2.4	(2,1,2)
58.83	1.5697	1.0	(1,0,4)
60.36	1.5336	22.2	(2,0,3)
62.91	1.4773	18.6	(2,2,0)
63.29	1.4695	6.7	(1,1,4)
71.74	1.3157	4.7	(2,0,4)
72.95	1.2969	8.3	(3,1,1)
77.16	1.2363	10.6	(2,2,3)
77.50	1.2317	10.5	(1,1,5)
77.55	1.2310	27.5	(3,1,2)
85.06	1.1405	3.2	(3,1,3)
85.39	1.1369	1.6	(2,0,5)

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Energy Properties

Formation Energy/atom

-0.46241

eV/atom

Energy/atom

-4.57427

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-13.4222

eV/atom

Volume/atom

16.90

Å³

c/a Ratio

1.6215

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

85.957

GPa

G_VRH

53.183

GPa

Young's Modulus E

132.270

GPa

Poisson Ratio ν

0.244

Pugh Ratio K/G

1.616

Vickers Hardness Est.

8.659

GPa

Ductility

Ductile

Anisotropy

0.070

Lame λ

50.502

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

0.3402

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

11.922%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2119

smaller = more stable mixing

VEC

3.857

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-14.128

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

0.0700

Homogeneous Poisson ν

0.2440

Debye Temperature

355.4

Sound Velocity

3,064.5

m/s

Homogeneity

0.2440

Related Tasks

Related computation task IDs (5)

aaadmqvu aaadsmsf aaaekvph aaaeuoia aaafilke

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1025375

Reference Citation

The crystal structure and related material properties of YGa5Co were obtained from the Materials Project database (MP-ID: mp-1025375, 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_YGa5Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.17832696
_cell_length_b   4.17832696
_cell_length_c   6.77519224
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YGa5Co
_chemical_formula_sum   'Y1 Ga5 Co1'
_cell_volume   118.28412586
_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  -0.00000000  0.00000000  0.00000000  1.0
  Ga  Ga1  1  -0.00000000  0.50000000  0.31221359  1.0
  Ga  Ga2  1  0.00000000  0.50000000  0.68778641  1.0
  Ga  Ga3  1  0.50000000  -0.00000000  0.31221359  1.0
  Ga  Ga4  1  0.50000000  -0.00000000  0.68778641  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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