YMg14Ni

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1028247 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

YMg14Ni

MP-ID

mp-1028247

Elements

Sites

Density

2.2443

g/cm³

Volume

360.97

Å³

Cell a

6.4913

Cell b

6.1919

Cell c

10.2179

α Angle

90.00

β Angle

90.00

γ Angle

118.49

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
8.65	10.2179	56.3	(0,0,1)
15.53	5.7055	15.5	(1,0,0)
16.29	5.4423	2.1	(1,-1,0)
17.36	5.1089	11.9	(0,0,2)
17.81	4.9815	19.3	(1,0,1)
18.47	4.8034	1.3	(1,-1,1)
23.37	3.8060	8.5	(1,0,2)
23.89	3.7248	1.8	(1,-1,2)
26.16	3.4060	2.4	(0,0,3)
28.84	3.0960	3.2	(1,-2,0)
28.90	3.0893	3.8	(2,-1,1)
30.16	2.9629	6.3	(1,-2,1)
30.57	2.9245	5.6	(1,0,3)
30.97	2.8872	5.5	(1,-1,3)
31.36	2.8527	9.0	(2,0,0)
32.59	2.7477	2.7	(2,0,1)
32.72	2.7368	1.9	(2,-1,2)
32.72	2.7368	1.9	(1,1,2)
32.92	2.7212	36.2	(2,-2,0)
33.86	2.6477	4.6	(1,-2,2)
34.10	2.6295	7.3	(2,-2,1)
35.13	2.5545	41.5	(0,0,4)
36.06	2.4907	65.3	(2,0,2)
37.45	2.4017	100.0	(2,-2,2)

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Energy Properties

Formation Energy/atom

0.03400

eV/atom

Energy/atom

-2.16074

eV/atom

Energy above Hull

0.0886

eV/atom

Uncorrected Energy

-2.1607

eV/atom

Volume/atom

22.56

Å³

c/a Ratio

1.5741

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

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

0.4747

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

6.445%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1483

smaller = more stable mixing

VEC

2.563

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-8.344

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.803

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgnbz

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1028247

Reference Citation

The crystal structure and related material properties of YMg14Ni were obtained from the Materials Project database (MP-ID: mp-1028247, 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_YMg14Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.49131213
_cell_length_b   6.19191846
_cell_length_c   10.21785650
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   118.48567178
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMg14Ni
_chemical_formula_sum   'Y1 Mg14 Ni1'
_cell_volume   360.97321314
_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  0.13051302  0.31525601  0.12500000  1.0
  Mg  Mg1  1  0.16764268  0.33382084  0.62500000  1.0
  Mg  Mg2  1  0.16150398  0.83075149  0.62500000  1.0
  Mg  Mg3  1  0.62344648  0.29737390  0.12500000  1.0
  Mg  Mg4  1  0.66386383  0.33641113  0.62500000  1.0
  Mg  Mg5  1  0.62344648  0.82607158  0.12500000  1.0
  Mg  Mg6  1  0.66386383  0.82745170  0.62500000  1.0
  Mg  Mg7  1  0.33926648  0.16621701  0.37313933  1.0
  Mg  Mg8  1  0.33926648  0.16621701  0.87686067  1.0
  Mg  Mg9  1  0.33926648  0.67305047  0.37313933  1.0
  Mg  Mg10  1  0.33926648  0.67305047  0.87686067  1.0
  Mg  Mg11  1  0.83319707  0.16659903  0.38664007  1.0
  Mg  Mg12  1  0.83319707  0.16659903  0.86335993  1.0
  Mg  Mg13  1  0.87141062  0.68570581  0.34046734  1.0
  Mg  Mg14  1  0.87141062  0.68570581  0.90953266  1.0
  Ni  Ni15  1  0.19943840  0.84971870  0.12500000  1.0

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