HfMg14Ti

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1026394 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

HfMg14Ti

MP-ID

mp-1026394

Elements

Sites

Density

2.6513

g/cm³

Volume

354.89

Å³

Cell a

6.3693

Cell b

6.3693

Cell c

10.1013

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
8.75	10.1013	27.3	(0,0,0,1)
16.07	5.5160	45.7	(1,0,-1,0)
17.56	5.0507	12.0	(0,0,0,2)
18.33	4.8412	34.6	(1,0,-1,1)
23.89	3.7250	33.7	(1,0,-1,2)
26.47	3.3671	2.6	(0,0,0,3)
28.02	3.1847	11.8	(2,-1,-1,0)
29.41	3.0373	11.6	(2,-1,-1,1)
31.12	2.8740	10.1	(1,0,-1,3)
32.46	2.7580	29.6	(2,0,-2,0)
33.26	2.6939	15.1	(2,-1,-1,2)
33.69	2.6606	5.5	(2,0,-2,1)
33.69	2.6606	2.7	(0,2,-2,1)
35.55	2.5253	24.4	(0,0,0,4)
37.14	2.4206	100.0	(2,0,-2,2)
38.93	2.3137	5.4	(2,-1,-1,3)
39.24	2.2961	10.0	(1,0,-1,4)
42.36	2.1336	4.3	(2,0,-2,3)
43.40	2.0849	6.7	(3,-1,-2,0)
44.37	2.0418	7.8	(3,-1,-2,1)
45.86	1.9787	6.2	(2,-1,-1,4)
47.16	1.9271	4.1	(3,-1,-2,2)
47.16	1.9271	8.2	(2,1,-3,2)
47.96	1.8970	3.1	(1,0,-1,5)

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Energy Properties

Formation Energy/atom

0.13321

eV/atom

Energy/atom

-2.40924

eV/atom

Energy above Hull

0.1332

eV/atom

Uncorrected Energy

-2.4092

eV/atom

Volume/atom

22.18

Å³

c/a Ratio

1.5859

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

2.3449

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.006610

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

5.4306

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

1.973%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.0559

smaller = more stable mixing

VEC

2.250

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.770

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.774

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgkis

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1026394

Reference Citation

The crystal structure and related material properties of HfMg14Ti were obtained from the Materials Project database (MP-ID: mp-1026394, 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_HfMg14Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.36931269
_cell_length_b   6.36931217
_cell_length_c   10.10130202
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000263
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMg14Ti
_chemical_formula_sum   'Hf1 Mg14 Ti1'
_cell_volume   354.88944416
_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  0.16850048  0.83424974  0.12500000  1.0
  Mg  Mg2  1  0.17054379  0.83527139  0.62500000  1.0
  Mg  Mg3  1  0.66575026  0.33149952  0.12500000  1.0
  Mg  Mg4  1  0.66472861  0.32945621  0.62500000  1.0
  Mg  Mg5  1  0.66575026  0.83424974  0.12500000  1.0
  Mg  Mg6  1  0.66472861  0.83527139  0.62500000  1.0
  Mg  Mg7  1  0.33044879  0.16955121  0.37372613  1.0
  Mg  Mg8  1  0.33044879  0.16955121  0.87627387  1.0
  Mg  Mg9  1  0.33044879  0.66089858  0.37372613  1.0
  Mg  Mg10  1  0.33044879  0.66089858  0.87627387  1.0
  Mg  Mg11  1  0.83910142  0.16955121  0.37372613  1.0
  Mg  Mg12  1  0.83910142  0.16955121  0.87627387  1.0
  Mg  Mg13  1  0.83333300  0.66666700  0.37578495  1.0
  Mg  Mg14  1  0.83333300  0.66666700  0.87421505  1.0
  Ti  Ti15  1  0.16666700  0.33333300  0.12500000  1.0

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