HfMg14Ga

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1026405 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

HfMg14Ga

MP-ID

mp-1026405

Elements

Sites

Density

2.7550

g/cm³

Volume

354.70

Å³

Cell a

6.3555

Cell b

6.3555

Cell c

10.1398

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P-6m2

Point Group

-6m2

Crystal System

Hexagonal

Bravais Lattice

Stability

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
8.72	10.1398	17.4	(0,0,0,1)
16.10	5.5040	54.7	(1,0,-1,0)
17.49	5.0699	14.4	(0,0,0,2)
18.34	4.8373	13.5	(1,0,-1,1)
18.34	4.8373	6.8	(0,1,-1,1)
23.86	3.7290	39.8	(1,0,-1,2)
26.37	3.3799	1.4	(0,0,0,3)
28.08	3.1777	14.2	(2,-1,-1,0)
29.46	3.0323	6.9	(2,-1,-1,1)
31.05	2.8802	6.2	(1,0,-1,3)
32.54	2.7520	30.5	(2,0,-2,0)
33.28	2.6926	6.1	(2,-1,-1,2)
33.28	2.6926	12.2	(1,1,-2,2)
33.75	2.6559	4.6	(2,0,-2,1)
35.41	2.5350	24.6	(0,0,0,4)
37.17	2.4187	100.0	(2,0,-2,2)
38.90	2.3152	2.9	(2,-1,-1,3)
39.12	2.3025	8.3	(1,0,-1,4)
39.12	2.3025	4.2	(0,1,-1,4)
42.35	2.1341	2.6	(2,0,-2,3)
43.50	2.0803	7.9	(3,-1,-2,0)
44.46	2.0379	4.4	(3,-1,-2,1)
45.79	1.9817	7.6	(2,-1,-1,4)
47.23	1.9246	15.4	(3,-1,-2,2)

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Energy Properties

Formation Energy/atom

0.04548

eV/atom

Energy/atom

-2.19276

eV/atom

Energy above Hull

0.1088

eV/atom

Uncorrected Energy

-2.1928

eV/atom

Volume/atom

22.17

Å³

c/a Ratio

1.5954

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0006

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Mg · 0.875

Element Family

Alkali-AlkEarth

Solute Fraction

0.125

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.4634

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

3.8528

J/mol·K

Ω Parameter

0.7358

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

3.814%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1212

smaller = more stable mixing

VEC

2.188

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-5.148

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.790

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgkjd

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1026405

Reference Citation

The crystal structure and related material properties of HfMg14Ga were obtained from the Materials Project database (MP-ID: mp-1026405, 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_HfMg14Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.35547312
_cell_length_b   6.35547261
_cell_length_c   10.13978689
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000264
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMg14Ga
_chemical_formula_sum   'Hf1 Mg14 Ga1'
_cell_volume   354.69509721
_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
  Hf  Hf0  1  0.16666700  0.33333300  0.62500000  1.0
  Mg  Mg1  1  0.16489804  0.83244852  0.12500000  1.0
  Mg  Mg2  1  0.17176185  0.83588043  0.62500000  1.0
  Mg  Mg3  1  0.66755148  0.33510196  0.12500000  1.0
  Mg  Mg4  1  0.66411957  0.32823815  0.62500000  1.0
  Mg  Mg5  1  0.66755148  0.83244852  0.12500000  1.0
  Mg  Mg6  1  0.66411957  0.83588043  0.62500000  1.0
  Mg  Mg7  1  0.32877741  0.17122259  0.37441290  1.0
  Mg  Mg8  1  0.32877741  0.17122259  0.87558710  1.0
  Mg  Mg9  1  0.32877741  0.65755582  0.37441290  1.0
  Mg  Mg10  1  0.32877741  0.65755582  0.87558710  1.0
  Mg  Mg11  1  0.84244418  0.17122259  0.37441290  1.0
  Mg  Mg12  1  0.84244418  0.17122259  0.87558710  1.0
  Mg  Mg13  1  0.83333300  0.66666700  0.38031908  1.0
  Mg  Mg14  1  0.83333300  0.66666700  0.86968092  1.0
  Ga  Ga15  1  0.16666700  0.33333300  0.12500000  1.0

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