Mg17Al11Ag

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-865489 · Space group: Cm (#8)

Materials Project API

Basic Information

Formula

Mg17Al11Ag

MP-ID

mp-865489

Elements

Sites

Density

2.3308

g/cm³

Volume

582.66

Å³

Cell a

9.0829

Cell b

9.0829

Cell c

9.1430

α Angle

70.45

β Angle

70.45

γ Angle

109.03

Space Group

Point Group

Crystal System

Monoclinic

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
11.85	7.4709	33.4	(0,0,1)
11.89	7.4455	46.2	(1,0,0)
11.89	7.4442	63.7	(1,0,1)
11.97	7.3959	39.0	(1,-1,0)
16.82	5.2726	13.3	(1,1,1)
16.87	5.2560	25.8	(1,-1,1)
20.61	4.3087	24.6	(1,0,-1)
20.62	4.3083	13.4	(1,1,0)
20.62	4.3079	13.0	(1,0,2)
20.62	4.3073	8.0	(1,1,2)
20.69	4.2933	18.3	(2,0,1)
20.76	4.2795	26.8	(2,-1,0)
20.76	4.2792	23.9	(2,-1,1)
23.82	3.7354	11.6	(0,0,2)
23.90	3.7227	15.6	(2,0,0)
23.91	3.7221	23.9	(2,0,2)
26.74	3.3343	9.2	(1,-1,2)
26.74	3.3338	8.3	(2,1,1)
26.74	3.3335	8.5	(2,1,2)
26.81	3.3254	9.2	(2,-1,-1)
26.81	3.3251	7.6	(2,-1,2)
26.90	3.3142	8.2	(2,-2,1)
29.30	3.0484	1.5	(1,1,-1)
29.30	3.0477	3.2	(1,1,3)

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Energy Properties

Formation Energy/atom

-0.01863

eV/atom

Energy/atom

-2.49319

eV/atom

Energy above Hull

0.0058

eV/atom

Uncorrected Energy

-2.4932

eV/atom

Volume/atom

20.09

Å³

c/a Ratio

1.0066

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0012

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 · 0.586

Element Family

Alkali-AlkEarth

Solute Fraction

0.414

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.7969

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

6.6254

J/mol·K

Ω Parameter

0.8755

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

5.447%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1707

smaller = more stable mixing

VEC

2.690

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-7.096

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7254

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.827

Family

Mg-based Alloy

Matrix Element

Mg · 0.586

Related Tasks

Related computation task IDs (2)

aaachxxj aaaedswu

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-865489

Reference Citation

The crystal structure and related material properties of Mg17Al11Ag were obtained from the Materials Project database (MP-ID: mp-865489, 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_Mg17Al11Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.08290491
_cell_length_b   9.08290491
_cell_length_c   9.14300257
_cell_angle_alpha   70.44918918
_cell_angle_beta   70.44918918
_cell_angle_gamma   109.02903416
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg17Al11Ag
_chemical_formula_sum   'Mg17 Al11 Ag1'
_cell_volume   582.65987863
_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
  Mg  Mg0  1  0.99902200  0.99902200  0.65540400  1.0
  Mg  Mg1  1  0.68236600  0.68236600  0.71399200  1.0
  Mg  Mg2  1  0.65481400  0.65481400  0.34480800  1.0
  Mg  Mg3  1  0.39653300  0.39653300  0.28812700  1.0
  Mg  Mg4  1  0.00144800  0.00144800  0.99845500  1.0
  Mg  Mg5  1  0.59977900  0.31677100  0.99939400  1.0
  Mg  Mg6  1  0.71119300  0.39757200  0.60418100  1.0
  Mg  Mg7  1  0.31652000  0.00051300  0.39857700  1.0
  Mg  Mg8  1  0.34476600  0.00143900  0.99895900  1.0
  Mg  Mg9  1  0.68377800  0.28632900  0.31573200  1.0
  Mg  Mg10  1  0.00004300  0.60163300  0.68372300  1.0
  Mg  Mg11  1  0.60163300  0.00004300  0.68372300  1.0
  Mg  Mg12  1  0.28632900  0.68377800  0.31573200  1.0
  Mg  Mg13  1  0.00143900  0.34476600  0.99895900  1.0
  Mg  Mg14  1  0.00051300  0.31652000  0.39857700  1.0
  Mg  Mg15  1  0.39757200  0.71119300  0.60418100  1.0
  Mg  Mg16  1  0.31677100  0.59977900  0.99939400  1.0
  Al  Al17  1  0.18676900  0.18676900  0.18020500  1.0
  Al  Al18  1  0.81425600  0.63241600  0.00044500  1.0
  Al  Al19  1  0.36621900  0.18211800  0.63363900  1.0
  Al  Al20  1  0.00023300  0.81522200  0.36620100  1.0
  Al  Al21  1  0.99988800  0.63457700  0.18435900  1.0
  Al  Al22  1  0.18535400  0.82003300  0.81352200  1.0
  Al  Al23  1  0.82003300  0.18535400  0.81352200  1.0
  Al  Al24  1  0.63457700  0.99988800  0.18435900  1.0
  Al  Al25  1  0.81522200  0.00023300  0.36620100  1.0
  Al  Al26  1  0.18211800  0.36621900  0.63363900  1.0
  Al  Al27  1  0.63241600  0.81425600  0.00044500  1.0
  Ag  Ag28  1  0.36839800  0.36839800  0.82153700  1.0

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