Ho3GaC

High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-10279 · Space group: Pm-3m (#221)

Materials Project API

Basic Information

Formula

Ho3GaC

MP-ID

mp-10279

Elements

Sites

Density

6.5243

g/cm³

Volume

146.73

Å³

Cell a

5.2745

Cell b

5.2745

Cell c

5.2745

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

Pm-3m

Point Group

m-3m

Crystal System

Cubic

Bravais Lattice

Stability

Packing Fraction

0.5236

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 19)

2θ	d (Å)	I	hkl
16.81	5.2745	79.0	(1,0,0)
23.86	3.7296	8.1	(1,1,0)
29.33	3.0452	100.0	(1,1,1)
33.99	2.6372	92.2	(2,0,0)
38.15	2.3588	42.0	(2,1,0)
41.96	2.1533	4.0	(2,1,1)
48.84	1.8648	66.3	(2,2,0)
52.01	1.7582	21.7	(2,2,1)
55.06	1.6679	1.9	(3,1,0)
57.99	1.5903	44.1	(3,1,1)
60.84	1.5226	22.8	(2,2,2)
63.60	1.4629	9.5	(3,2,0)
66.31	1.4097	2.3	(3,2,1)
71.56	1.3186	10.5	(4,0,0)
74.12	1.2792	12.1	(3,2,2)
76.65	1.2432	1.2	(3,3,0)
79.15	1.2100	18.0	(3,3,1)
81.64	1.1794	29.6	(4,2,0)
84.10	1.1510	8.8	(4,2,1)

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Energy Properties

Formation Energy/atom

1.19718

eV/atom

Energy/atom

-4.01324

eV/atom

Energy above Hull

1.6187

eV/atom

Uncorrected Energy

-4.0132

eV/atom

Volume/atom

29.35

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0000

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

K_VRH

45.194

GPa

G_VRH

20.445

GPa

Young's Modulus E

53.298

GPa

Poisson Ratio ν

0.303

Pugh Ratio K/G

2.211

Vickers Hardness Est.

1.620

GPa

Ductility

Brittle

Anisotropy

7.797

Lame λ

31.564

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ho · 0.600

Element Family

Lanthanide

Solute Fraction

0.400

Interstitial Fraction

0.200

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9503

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.9005

J/mol·K

Ω Parameter

2.4459

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

26.091%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.5209

smaller = more stable mixing

VEC

8.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-6.026

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8650

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.374

Family

Interstitial Alloy

Matrix Element

Ho · 0.600

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

7.7970

Homogeneous Poisson ν

0.3030

Debye Temperature

366.1

Sound Velocity

1,978.2

m/s

Homogeneity

0.3030

Related Tasks

Related computation task IDs (5)

aaadmvuk aaadreyy aaaeukuu aaafakpf aaafbwhg

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-10279

Reference Citation

The crystal structure and related material properties of Ho3GaC were obtained from the Materials Project database (MP-ID: mp-10279, 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_Ho3GaC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27444600
_cell_length_b   5.27444600
_cell_length_c   5.27444600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho3GaC
_chemical_formula_sum   'Ho3 Ga1 C1'
_cell_volume   146.73393054
_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  0.00000000  0.50000000  0.50000000  1.0
  Ho  Ho1  1  0.50000000  0.00000000  0.50000000  1.0
  Ho  Ho2  1  0.50000000  0.50000000  0.00000000  1.0
  Ga  Ga3  1  0.50000000  0.50000000  0.50000000  1.0
  C  C4  1  0.00000000  0.00000000  0.00000000  1.0

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