ErInAg2

High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-30340 · Space group: Fm-3m (#225)

Materials Project API

Basic Information

Formula

ErInAg2

MP-ID

mp-30340

Elements

Sites

Density

10.0676

g/cm³

Volume

82.11

Å³

Cell a

4.8787

Cell b

4.8787

Cell c

4.8787

α Angle

60.00

β Angle

60.00

γ Angle

60.00

Space Group

Fm-3m

Point Group

m-3m

Crystal System

Cubic

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 12)

2θ	d (Å)	I	hkl
22.32	3.9834	2.1	(1,0,0)
25.83	3.4498	1.5	(1,1,0)
36.85	2.4393	100.0	(1,0,-1)
53.10	1.7249	5.7	(2,2,0)
53.10	1.7249	11.3	(2,0,2)
66.38	1.4084	11.4	(3,1,0)
66.38	1.4084	22.7	(2,-1,-1)
78.41	1.2197	8.8	(2,0,-2)
78.41	1.2197	1.8	(2,2,4)
89.93	1.0909	5.2	(3,2,-1)
89.93	1.0909	7.8	(3,-1,2)
89.93	1.0909	2.6	(3,1,4)

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Energy Properties

Formation Energy/atom

-0.35166

eV/atom

Energy/atom

-3.60485

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-25.2052

eV/atom

Volume/atom

20.53

Å³

c/a Ratio

1.0000

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

77.665

GPa

G_VRH

25.820

GPa

Young's Modulus E

69.732

GPa

Poisson Ratio ν

0.350

Pugh Ratio K/G

3.008

Vickers Hardness Est.

0.694

GPa

Ductility

Brittle

Anisotropy

2.933

Lame λ

60.452

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ag · 0.500

Element Family

4d-TM

Solute Fraction

0.500

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0397

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.6442

J/mol·K

Ω Parameter

5.0803

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

8.758%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2838

smaller = more stable mixing

VEC

9.250

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-2.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9464

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.634

Family

Ag-rich Multi-Component

Matrix Element

Ag · 0.500

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

2.9330

Homogeneous Poisson ν

0.3500

Debye Temperature

224.4

Sound Velocity

1,800.6

m/s

Homogeneity

0.3500

Related Tasks

Related computation task IDs (5)

aaadmron aaadsrue aaaehctj aaaeuphx aaafyhiw

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-30340

Reference Citation

The crystal structure and related material properties of ErInAg2 were obtained from the Materials Project database (MP-ID: mp-30340, 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_ErInAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87867566
_cell_length_b   4.87867573
_cell_length_c   4.87867483
_cell_angle_alpha   60.00000616
_cell_angle_beta   60.00000569
_cell_angle_gamma   59.99999621
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ErInAg2
_chemical_formula_sum   'Er1 In1 Ag2'
_cell_volume   82.10900717
_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
  Er  Er0  1  -0.00000000  0.00000000  0.00000000  1.0
  In  In1  1  0.50000000  0.50000000  0.50000000  1.0
  Ag  Ag2  1  0.75000000  0.75000000  0.75000000  1.0
  Ag  Ag3  1  0.25000000  0.25000000  0.25000000  1.0

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