YMg14Fe

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1028242 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

YMg14Fe

MP-ID

mp-1028242

Elements

Sites

Density

2.2710

g/cm³

Volume

354.65

Å³

Cell a

6.4313

Cell b

6.1440

Cell c

10.2162

α Angle

90.00

β Angle

90.00

γ Angle

118.53

Space Group

Amm2

Point Group

mm2

Crystal System

Orthorhombic

Bravais Lattice

Stability

Packing Fraction

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
8.66	10.2162	51.6	(0,0,1)
15.68	5.6502	14.6	(1,0,0)
16.42	5.3978	1.8	(1,-1,0)
17.36	5.1081	10.7	(0,0,2)
17.94	4.9444	18.2	(1,0,1)
18.59	4.7726	1.9	(1,-1,1)
23.48	3.7892	7.8	(1,0,2)
23.99	3.7101	2.5	(1,-1,2)
26.17	3.4054	2.2	(0,0,3)
29.07	3.0720	2.8	(1,-2,0)
29.15	3.0635	2.6	(2,-1,1)
30.38	2.9419	5.3	(1,-2,1)
30.65	2.9166	4.8	(1,0,3)
31.05	2.8801	4.7	(1,-1,3)
31.67	2.8251	9.8	(2,0,0)
32.89	2.7229	3.3	(2,0,1)
32.95	2.7187	1.8	(2,-1,2)
33.19	2.6989	35.3	(2,-2,0)
34.06	2.6326	3.9	(1,-2,2)
34.37	2.6094	3.5	(2,-2,1)
34.37	2.6094	3.5	(0,2,1)
35.14	2.5541	42.2	(0,0,4)
36.34	2.4722	67.4	(2,0,2)
37.70	2.3863	100.0	(2,-2,2)

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Energy Properties

Formation Energy/atom

0.12427

eV/atom

Energy/atom

-2.23859

eV/atom

Energy above Hull

0.1386

eV/atom

Uncorrected Energy

-2.2386

eV/atom

Volume/atom

22.17

Å³

c/a Ratio

1.5885

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0199

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000060

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

1.4642

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

6.173%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1292

smaller = more stable mixing

VEC

2.438

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-2.719

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.730

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgnbu

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1028242

Reference Citation

The crystal structure and related material properties of YMg14Fe were obtained from the Materials Project database (MP-ID: mp-1028242, 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_YMg14Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.43129410
_cell_length_b   6.14397434
_cell_length_c   10.21618396
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   118.53284385
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMg14Fe
_chemical_formula_sum   'Y1 Mg14 Fe1'
_cell_volume   354.64979317
_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
  Y  Y0  1  0.14156189  0.32078045  0.12500000  1.0
  Mg  Mg1  1  0.16963656  0.33481778  0.62500000  1.0
  Mg  Mg2  1  0.16063743  0.83031821  0.62500000  1.0
  Mg  Mg3  1  0.63596692  0.30773604  0.12500000  1.0
  Mg  Mg4  1  0.66262005  0.33564662  0.62500000  1.0
  Mg  Mg5  1  0.63596692  0.82822988  0.12500000  1.0
  Mg  Mg6  1  0.66262005  0.82697243  0.62500000  1.0
  Mg  Mg7  1  0.33737482  0.16245481  0.37157322  1.0
  Mg  Mg8  1  0.33737482  0.16245481  0.87842678  1.0
  Mg  Mg9  1  0.33737482  0.67492101  0.37157322  1.0
  Mg  Mg10  1  0.33737482  0.67492101  0.87842678  1.0
  Mg  Mg11  1  0.83737669  0.16868884  0.38692453  1.0
  Mg  Mg12  1  0.83737669  0.16868884  0.86307547  1.0
  Mg  Mg13  1  0.86540855  0.68270477  0.34621503  1.0
  Mg  Mg14  1  0.86540855  0.68270477  0.90378497  1.0
  Fe  Fe15  1  0.17592042  0.83795971  0.12500000  1.0

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