Ho3Ga2Co9B4

High-Entropy Materials HEA

MP-ID: mp-3292562 · Space group: P6/mmm (#191)

Materials Project API

Basic Information

Formula

Ho3Ga2Co9B4

MP-ID

mp-3292562

Elements

Sites

Density

9.4491

g/cm³

Volume

212.27

Å³

Cell a

5.0951

Cell b

5.0948

Cell c

9.4421

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
9.37	9.4421	1.1	(0,0,0,1)
20.12	4.4126	27.3	(1,0,-1,0)
20.12	4.4124	27.3	(1,-1,0,0)
20.12	4.4123	27.3	(0,1,-1,0)
22.24	3.9976	1.1	(1,0,-1,-1)
22.24	3.9976	1.1	(1,0,-1,1)
22.24	3.9974	1.1	(1,-1,0,-1)
22.24	3.9974	1.1	(1,-1,0,1)
22.24	3.9974	2.1	(0,1,-1,1)
28.36	3.1474	12.3	(0,0,0,3)
35.02	2.5623	49.9	(1,0,-1,-3)
35.02	2.5623	49.9	(1,0,-1,3)
35.02	2.5623	50.0	(1,-1,0,-3)
35.02	2.5623	50.0	(1,-1,0,3)
35.02	2.5623	100.0	(0,1,-1,3)
35.23	2.5476	37.8	(2,-1,-1,0)
35.23	2.5475	37.8	(1,1,-2,0)
35.23	2.5474	37.8	(1,-2,1,0)
36.53	2.4596	3.1	(2,-1,-1,-1)
36.53	2.4596	3.1	(2,-1,-1,1)
36.53	2.4596	3.1	(1,1,-2,-1)
36.53	2.4596	3.1	(1,1,-2,1)
36.53	2.4595	3.1	(1,-2,1,-1)
36.53	2.4595	3.1	(1,-2,1,1)

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Energy Properties

Formation Energy/atom

-0.43806

eV/atom

Energy/atom

-15.43935

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-15.4394

eV/atom

Volume/atom

11.79

Å³

c/a Ratio

1.8532

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

2.0080

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.009460

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

0.222

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.2236

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.1728

J/mol·K

Ω Parameter

0.8355

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

20.846%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2649

smaller = more stable mixing

VEC

7.333

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-21.046

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8826

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfira

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3292562

Reference Citation

The crystal structure and related material properties of Ho3Ga2Co9B4 were obtained from the Materials Project database (MP-ID: mp-3292562, 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_Ho3Ga2Co9B4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09511734
_cell_length_b   5.09481526
_cell_length_c   9.44205484
_cell_angle_alpha   89.99996424
_cell_angle_beta   90.00008062
_cell_angle_gamma   119.99889224
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho3Ga2Co9B4
_chemical_formula_sum   'Ho3 Ga2 Co9 B4'
_cell_volume   212.26804967
_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
  Ho  Ho0  1  0.99998699  0.00000033  0.99991598  1.0
  Ho  Ho1  1  0.99999372  0.99999898  0.34055129  1.0
  Ho  Ho2  1  0.99999948  0.99999973  0.65948010  1.0
  Ga  Ga3  1  0.33345743  0.66675488  0.99998807  1.0
  Ga  Ga4  1  0.66652571  0.33324544  0.99998874  1.0
  Co  Co5  1  0.49999597  0.00000002  0.50001105  1.0
  Co  Co6  1  0.49999519  0.50000006  0.50001111  1.0
  Co  Co7  1  0.99999508  0.49999947  0.50001011  1.0
  Co  Co8  1  0.49999263  0.99999910  0.20760211  1.0
  Co  Co9  1  0.49999130  0.49999901  0.20759174  1.0
  Co  Co10  1  0.99999240  0.50000045  0.20755075  1.0
  Co  Co11  1  0.49999886  0.00000055  0.79240711  1.0
  Co  Co12  1  0.49999742  0.50000159  0.79241722  1.0
  Co  Co13  1  0.99999562  0.49999813  0.79245991  1.0
  B  B14  1  0.33330387  0.66665610  0.34973805  1.0
  B  B15  1  0.66668342  0.33334354  0.34973764  1.0
  B  B16  1  0.66668986  0.33334583  0.65026941  1.0
  B  B17  1  0.33330305  0.66665479  0.65026961  1.0

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