HoGa2Co3

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1105905 · Space group: P6/mmm (#191)

Materials Project API

Basic Information

Formula

HoGa2Co3

MP-ID

mp-1105905

Elements

Sites

Density

9.0908

g/cm³

Volume

263.68

Å³

Cell a

8.7323

Cell b

8.7323

Cell c

3.9929

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
20.34	4.3661	1.7	(2,-1,-1,0)
20.34	4.3661	3.4	(1,1,-2,0)
23.53	3.7812	1.5	(2,0,-2,0)
25.22	3.5310	36.3	(1,0,-1,1)
30.33	2.9465	6.0	(2,-1,-1,1)
31.29	2.8583	1.5	(3,-1,-2,0)
32.62	2.7455	56.9	(2,0,-2,1)
35.62	2.5208	66.5	(3,0,-3,0)
38.74	2.3242	87.1	(3,-1,-2,1)
41.36	2.1831	55.2	(4,-2,-2,0)
42.41	2.1316	100.0	(3,0,-3,1)
45.43	1.9965	50.3	(0,0,0,2)
47.47	1.9155	33.9	(4,-2,-2,1)
48.13	1.8906	1.9	(4,0,-4,0)
49.06	1.8568	5.9	(4,-1,-3,1)
50.25	1.8157	1.3	(2,-1,-1,2)
52.76	1.7349	7.3	(5,-2,-3,0)
53.64	1.7087	3.4	(4,0,-4,1)
55.70	1.6502	2.3	(5,-1,-4,0)
57.96	1.5912	3.5	(5,-2,-3,1)
57.96	1.5912	6.9	(3,2,-5,1)
59.02	1.5651	31.2	(3,0,-3,2)
60.73	1.5251	1.8	(5,-1,-4,1)
63.10	1.4733	30.1	(4,-2,-2,2)

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Energy Properties

Formation Energy/atom

-0.36418

eV/atom

Energy/atom

-5.70653

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-16.2421

eV/atom

Volume/atom

14.65

Å³

c/a Ratio

0.4573

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

9.8510

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.037360

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

11.7034

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

12.964%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2339

smaller = more stable mixing

VEC

7.333

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-0.915

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9206

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.656

Family

Co-based Alloy

Matrix Element

Co · 0.500

Related Tasks

Related computation task IDs (1)

aaagjrss

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1105905

Reference Citation

The crystal structure and related material properties of HoGa2Co3 were obtained from the Materials Project database (MP-ID: mp-1105905, 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_HoGa2Co3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.73225759
_cell_length_b   8.73225719
_cell_length_c   3.99291114
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000156
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HoGa2Co3
_chemical_formula_sum   'Ho3 Ga6 Co9'
_cell_volume   263.67765458
_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
  Ho  Ho0  1  -0.00000000  0.00000000  -0.00000000  1.0
  Ho  Ho1  1  0.66666700  0.33333300  0.50000000  1.0
  Ho  Ho2  1  0.33333300  0.66666700  0.50000000  1.0
  Ga  Ga3  1  0.69143622  0.69143622  0.50000000  1.0
  Ga  Ga4  1  0.30856378  0.00000000  0.50000000  1.0
  Ga  Ga5  1  0.00000000  0.30856378  0.50000000  1.0
  Ga  Ga6  1  0.30856378  0.30856378  0.50000000  1.0
  Ga  Ga7  1  0.69143622  0.00000000  0.50000000  1.0
  Ga  Ga8  1  1.00000000  0.69143622  0.50000000  1.0
  Co  Co9  1  0.50000000  0.50000000  -0.00000000  1.0
  Co  Co10  1  0.50000000  0.00000000  -0.00000000  1.0
  Co  Co11  1  -0.00000000  0.50000000  -0.00000000  1.0
  Co  Co12  1  0.81457938  0.18542062  -0.00000000  1.0
  Co  Co13  1  0.81457938  0.62915977  -0.00000000  1.0
  Co  Co14  1  0.37084023  0.18542062  0.00000000  1.0
  Co  Co15  1  0.18542062  0.81457938  0.00000000  1.0
  Co  Co16  1  0.62915977  0.81457938  -0.00000000  1.0
  Co  Co17  1  0.18542062  0.37084023  0.00000000  1.0

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