YMgAg

High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-30737 · Space group: P-62m (#189)

Materials Project API

Basic Information

Formula

YMgAg

MP-ID

mp-30737

Elements

Sites

Density

5.2128

g/cm³

Volume

211.27

Å³

Cell a

7.7482

Cell b

7.7482

Cell c

4.0636

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P-62m

Point Group

-6m2

Crystal System

Hexagonal

Bravais Lattice

Stability

Yes

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
13.19	6.7101	3.9	(1,-1,0,0)
13.19	6.7101	2.0	(1,0,-1,0)
21.87	4.0636	3.1	(0,0,0,1)
22.96	3.8741	44.2	(1,1,-2,0)
22.96	3.8741	22.1	(2,-1,-1,0)
25.63	3.4759	32.8	(1,0,-1,1)
26.57	3.3551	12.4	(2,-2,0,0)
26.57	3.3551	6.2	(2,0,-2,0)
31.92	2.8040	95.0	(2,-1,-1,1)
34.67	2.5872	100.0	(2,-2,0,1)
34.67	2.5872	50.0	(2,0,-2,1)
35.39	2.5362	9.0	(2,-3,1,0)
35.39	2.5362	17.9	(3,-1,-2,0)
40.32	2.2367	19.4	(0,3,-3,0)
40.32	2.2367	19.4	(3,-3,0,0)
40.32	2.2367	19.4	(3,0,-3,0)
41.99	2.1515	8.7	(1,-3,2,1)
41.99	2.1515	26.2	(3,-2,-1,1)
41.99	2.1515	17.5	(3,-1,-2,1)
44.60	2.0318	31.6	(0,0,0,2)
46.90	1.9371	7.2	(2,-4,2,0)
46.90	1.9371	7.2	(2,2,-4,0)
46.90	1.9371	7.2	(4,-2,-2,0)
48.94	1.8611	5.4	(3,-4,1,0)

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Energy Properties

Formation Energy/atom

-0.26388

eV/atom

Energy/atom

-3.92471

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-15.5679

eV/atom

Volume/atom

23.47

Å³

c/a Ratio

0.5245

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

K_VRH

54.978

GPa

G_VRH

36.231

GPa

Young's Modulus E

89.117

GPa

Poisson Ratio ν

0.230

Pugh Ratio K/G

1.517

Vickers Hardness Est.

7.028

GPa

Ductility

Ductile

Anisotropy

-3.287

Lame λ

30.824

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Y · 0.333

Element Family

4d-TM

Solute Fraction

0.667

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0986

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.1339

J/mol·K

Ω Parameter

0.4015

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

9.128%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3156

smaller = more stable mixing

VEC

5.333

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-30.007

kJ/mol; negative = exothermic mixing

Entropy Norm

1.0000

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.430

Family

Y-rich Multi-Component

Matrix Element

Y · 0.333

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

-3.2870

Homogeneous Poisson ν

0.2300

Debye Temperature

303.5

Sound Velocity

2,920.1

m/s

Homogeneity

0.2300

Related Tasks

Related computation task IDs (3)

aaacbpia aaadtaah aaaelzle

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-30737

Reference Citation

The crystal structure and related material properties of YMgAg were obtained from the Materials Project database (MP-ID: mp-30737, 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_YMgAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.74818279
_cell_length_b   7.74818579
_cell_length_c   4.06362754
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000976
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMgAg
_chemical_formula_sum   'Y3 Mg3 Ag3'
_cell_volume   211.27317915
_cell_formula_units_Z   3
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  0.41303290  0.41303290  0.50000000  1.0
  Y  Y1  1  -0.00000000  0.58696710  0.50000000  1.0
  Y  Y2  1  0.58696710  0.00000000  0.50000000  1.0
  Mg  Mg3  1  0.75332970  0.75332970  -0.00000000  1.0
  Mg  Mg4  1  0.24667030  0.00000000  0.00000000  1.0
  Mg  Mg5  1  -0.00000000  0.24667030  0.00000000  1.0
  Ag  Ag6  1  0.66666800  0.33333400  0.00000000  1.0
  Ag  Ag7  1  0.33333200  0.66666700  -0.00000000  1.0
  Ag  Ag8  1  -0.00000000  0.99999900  0.50000000  1.0

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