HfMg14Cr

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1026470 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

HfMg14Cr

MP-ID

mp-1026470

Elements

Sites

Density

2.6766

g/cm³

Volume

354.10

Å³

Cell a

6.3468

Cell b

6.3468

Cell c

10.1505

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
8.71	10.1505	24.9	(0,0,0,1)
16.13	5.4965	48.3	(1,0,-1,0)
17.47	5.0752	12.8	(0,0,0,2)
18.36	4.8333	30.4	(1,0,-1,1)
23.86	3.7288	35.3	(1,0,-1,2)
26.34	3.3835	2.3	(0,0,0,3)
28.12	3.1734	12.4	(2,-1,-1,0)
29.49	3.0288	10.2	(2,-1,-1,1)
31.04	2.8813	9.1	(1,0,-1,3)
32.58	2.7482	29.7	(2,0,-2,0)
33.30	2.6907	15.9	(2,-1,-1,2)
33.79	2.6527	4.8	(2,0,-2,1)
33.79	2.6527	2.4	(0,2,-2,1)
35.37	2.5376	24.9	(0,0,0,4)
37.21	2.4167	100.0	(2,0,-2,2)
38.91	2.3146	4.7	(2,-1,-1,3)
39.10	2.3039	10.8	(1,0,-1,4)
42.37	2.1332	2.6	(2,0,-2,3)
42.37	2.1332	1.3	(0,2,-2,3)
43.57	2.0775	6.8	(3,-1,-2,0)
44.52	2.0353	6.9	(3,-1,-2,1)
45.78	1.9819	6.6	(2,-1,-1,4)
47.28	1.9226	8.7	(3,-1,-2,2)
47.28	1.9226	4.4	(1,2,-3,2)

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Energy Properties

Formation Energy/atom

0.14801

eV/atom

Energy/atom

-2.50429

eV/atom

Energy above Hull

0.1577

eV/atom

Uncorrected Energy

-2.5043

eV/atom

Volume/atom

22.13

Å³

c/a Ratio

1.5993

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

5.0583

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.014280

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

0.8783

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

4.897%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.0849

smaller = more stable mixing

VEC

2.375

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-4.828

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.757

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgklq

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1026470

Reference Citation

The crystal structure and related material properties of HfMg14Cr were obtained from the Materials Project database (MP-ID: mp-1026470, 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_HfMg14Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.34677000
_cell_length_b   6.34676949
_cell_length_c   10.15044892
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000267
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMg14Cr
_chemical_formula_sum   'Hf1 Mg14 Cr1'
_cell_volume   354.09627283
_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  0.16667836  0.83333868  0.12500000  1.0
  Mg  Mg2  1  0.17209417  0.83604659  0.62500000  1.0
  Mg  Mg3  1  0.66666132  0.33332164  0.12500000  1.0
  Mg  Mg4  1  0.66395341  0.32790583  0.62500000  1.0
  Mg  Mg5  1  0.66666132  0.83333868  0.12500000  1.0
  Mg  Mg6  1  0.66395341  0.83604659  0.62500000  1.0
  Mg  Mg7  1  0.32946208  0.17053792  0.37361055  1.0
  Mg  Mg8  1  0.32946208  0.17053792  0.87638945  1.0
  Mg  Mg9  1  0.32946208  0.65892516  0.37361055  1.0
  Mg  Mg10  1  0.32946208  0.65892516  0.87638945  1.0
  Mg  Mg11  1  0.84107484  0.17053792  0.37361055  1.0
  Mg  Mg12  1  0.84107484  0.17053792  0.87638945  1.0
  Mg  Mg13  1  0.83333300  0.66666700  0.37741249  1.0
  Mg  Mg14  1  0.83333300  0.66666700  0.87258751  1.0
  Cr  Cr15  1  0.16666700  0.33333300  0.12500000  1.0

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