YGa2Co3

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-30557 · Space group: P6/mmm (#191)

Materials Project API

Basic Information

Formula

YGa2Co3

MP-ID

mp-30557

Elements

Sites

Density

7.5714

g/cm³

Volume

266.57

Å³

Cell a

8.7717

Cell b

8.7713

Cell c

4.0007

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P6/mmm

Point Group

6/mmm

Crystal System

Hexagonal

Bravais Lattice

Stability

Yes

Packing Fraction

0.7405

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
20.25	4.3859	6.6	(2,-1,-1,0)
20.25	4.3858	6.6	(1,1,-2,0)
20.25	4.3856	6.6	(1,-2,1,0)
23.42	3.7983	1.4	(2,0,-2,0)
23.42	3.7982	1.4	(2,-2,0,0)
23.42	3.7981	1.5	(0,2,-2,0)
25.16	3.5398	2.5	(1,0,-1,-1)
25.16	3.5398	2.5	(1,0,-1,1)
25.16	3.5398	5.1	(1,-1,0,1)
25.16	3.5397	5.1	(0,1,-1,1)
32.50	2.7546	11.0	(2,0,-2,-1)
32.51	2.7546	11.0	(2,0,-2,1)
32.51	2.7545	22.0	(2,-2,0,1)
32.51	2.7545	22.0	(0,2,-2,1)
35.45	2.5322	29.0	(3,0,-3,0)
35.45	2.5321	29.0	(3,-3,0,0)
35.45	2.5321	29.0	(0,3,-3,0)
38.60	2.3327	9.2	(3,-1,-2,-1)
38.60	2.3327	9.2	(3,-1,-2,1)
38.60	2.3326	9.2	(2,1,-3,-1)
38.60	2.3326	9.2	(2,1,-3,1)
38.60	2.3326	9.3	(3,-2,-1,-1)
38.60	2.3326	9.3	(3,-2,-1,1)
38.60	2.3326	9.2	(1,2,-3,-1)

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Energy Properties

Formation Energy/atom

-0.34620

eV/atom

Energy/atom

-6.00712

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-14.1362

eV/atom

Volume/atom

14.81

Å³

c/a Ratio

0.4561

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

10.0068

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.037540

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Co · 0.500

Element Family

3d-TM

Solute Fraction

0.500

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0114

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.4088

J/mol·K

Ω Parameter

0.5709

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

14.200%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2376

smaller = more stable mixing

VEC

6.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-18.925

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9206

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.683

Family

Co-based Alloy

Matrix Element

Co · 0.500

Related Tasks

Related computation task IDs (5)

aaadmede aaadtfds aaaeskwb aaafygys aaagalfq

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-30557

Reference Citation

The crystal structure and related material properties of YGa2Co3 were obtained from the Materials Project database (MP-ID: mp-30557, 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

Loading 3D structure…

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Raw CIF Data

# generated using pymatgen
data_YGa2Co3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.77171564
_cell_length_b   8.77126625
_cell_length_c   4.00065150
_cell_angle_alpha   89.99999985
_cell_angle_beta   90.00001468
_cell_angle_gamma   119.99925103
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YGa2Co3
_chemical_formula_sum   'Y3 Ga6 Co9'
_cell_volume   266.57012103
_cell_formula_units_Z   3
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  0.00001512  0.00005459  -0.00000018  1.0
  Y  Y1  1  0.33334999  0.66666934  0.50000108  1.0
  Y  Y2  1  0.66662800  0.33328297  0.49999972  1.0
  Ga  Ga3  1  0.30826234  0.00005046  0.50000013  1.0
  Ga  Ga4  1  0.30826178  0.30817751  0.50000000  1.0
  Ga  Ga5  1  -0.00003097  0.69176516  0.49999986  1.0
  Ga  Ga6  1  -0.00003602  0.30819133  0.49999998  1.0
  Ga  Ga7  1  0.69176894  0.69177571  0.49999987  1.0
  Ga  Ga8  1  0.69177409  0.00002610  0.49999979  1.0
  Co  Co9  1  0.50001555  0.00003671  0.00000009  1.0
  Co  Co10  1  0.50002811  0.49996118  0.00000006  1.0
  Co  Co11  1  -0.00002657  0.49997222  0.00000005  1.0
  Co  Co12  1  0.18566624  0.37129609  -0.00000001  1.0
  Co  Co13  1  0.81430944  0.18565780  -0.00000016  1.0
  Co  Co14  1  0.37133632  0.18565395  0.00000022  1.0
  Co  Co15  1  0.62868333  0.81436103  -0.00000034  1.0
  Co  Co16  1  0.18566605  0.81438441  0.00000004  1.0
  Co  Co17  1  0.81432827  0.62868343  -0.00000020  1.0

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