YMg14Si

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1028034 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

YMg14Si

MP-ID

mp-1028034

Elements

Sites

Density

2.0759

g/cm³

Volume

365.78

Å³

Cell a

6.3979

Cell b

6.3979

Cell c

10.3183

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
8.57	10.3183	8.5	(0,0,0,1)
16.00	5.5408	8.4	(1,0,-1,0)
16.00	5.5408	4.2	(0,1,-1,0)
17.19	5.1592	3.3	(0,0,0,2)
18.17	4.8815	11.6	(1,0,-1,1)
23.56	3.7758	8.0	(1,0,-1,2)
25.90	3.4394	1.6	(0,0,0,3)
27.89	3.1990	2.9	(2,-1,-1,0)
29.23	3.0555	5.0	(2,-1,-1,1)
30.59	2.9222	5.4	(1,0,-1,3)
32.31	2.7704	17.0	(2,0,-2,0)
32.31	2.7704	8.5	(0,2,-2,0)
32.95	2.7187	3.6	(2,-1,-1,2)
33.49	2.6756	2.1	(2,0,-2,1)
33.49	2.6756	1.1	(0,2,-2,1)
34.78	2.5796	25.6	(0,0,0,4)
36.82	2.4407	100.0	(2,0,-2,2)
38.43	2.3424	1.0	(2,-1,-1,3)
38.50	2.3386	2.6	(1,0,-1,4)
41.87	2.1575	1.2	(2,0,-2,3)
44.13	2.0524	1.8	(2,1,-3,1)
45.15	2.0081	1.5	(2,-1,-1,4)
46.82	1.9404	3.3	(3,-1,-2,2)
48.20	1.8879	15.7	(2,0,-2,4)

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Energy Properties

Formation Energy/atom

0.05464

eV/atom

Energy/atom

-2.11793

eV/atom

Energy above Hull

0.1611

eV/atom

Uncorrected Energy

-2.1224

eV/atom

Volume/atom

22.86

Å³

c/a Ratio

1.6128

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0008

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

0.063

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

0.4635

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

7.422%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1459

smaller = more stable mixing

VEC

2.188

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-8.525

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.800

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgmtu

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1028034

Reference Citation

The crystal structure and related material properties of YMg14Si were obtained from the Materials Project database (MP-ID: mp-1028034, 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_YMg14Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.39791476
_cell_length_b   6.39791424
_cell_length_c   10.31831485
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000270
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMg14Si
_chemical_formula_sum   'Y1 Mg14 Si1'
_cell_volume   365.77688691
_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  0.16666700  0.33333300  0.12500000  1.0
  Mg  Mg1  1  0.17811550  0.83905725  0.12500000  1.0
  Mg  Mg2  1  0.16094688  0.83047294  0.62500000  1.0
  Mg  Mg3  1  0.66094275  0.32188450  0.12500000  1.0
  Mg  Mg4  1  0.66952706  0.33905312  0.62500000  1.0
  Mg  Mg5  1  0.66094275  0.83905725  0.12500000  1.0
  Mg  Mg6  1  0.66952706  0.83047294  0.62500000  1.0
  Mg  Mg7  1  0.32989839  0.17010161  0.38437124  1.0
  Mg  Mg8  1  0.32989839  0.17010161  0.86562876  1.0
  Mg  Mg9  1  0.32989839  0.65979777  0.38437124  1.0
  Mg  Mg10  1  0.32989839  0.65979777  0.86562876  1.0
  Mg  Mg11  1  0.84020223  0.17010161  0.38437124  1.0
  Mg  Mg12  1  0.84020223  0.17010161  0.86562876  1.0
  Mg  Mg13  1  0.83333300  0.66666700  0.36558042  1.0
  Mg  Mg14  1  0.83333300  0.66666700  0.88441958  1.0
  Si  Si15  1  0.16666700  0.33333300  0.62500000  1.0

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