MgAgSb
High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELAMP-ID: mp-1008903 · Space group: F-43m (#216)
Basic Information
Formula
MgAgSb
MP-ID
mp-1008903
Elements
3
Sites
3
Density
6.1044
g/cm³
Volume
69.08
ų
Cell a
4.6055
Å
Cell b
4.6055
Å
Cell c
4.6055
Å
α Angle
60.00
°
β Angle
60.00
°
γ Angle
60.00
°
Space Group
F-43m
Point Group
-43m
Crystal System
Cubic
Bravais Lattice
cF
Stability
Yes
Packing Fraction
0.7405
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 10)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 23.66 | 3.7604 | 81.1 | (1,1,1) |
| 27.39 | 3.2566 | 2.2 | (1,1,0) |
| 39.12 | 2.3028 | 100.0 | (2,1,1) |
| 46.23 | 1.9638 | 39.6 | (2,2,1) |
| 56.52 | 1.6283 | 16.4 | (2,2,0) |
| 62.12 | 1.4942 | 15.8 | (3,1,1) |
| 70.88 | 1.3295 | 32.7 | (3,3,2) |
| 75.91 | 1.2535 | 11.7 | (3,3,3) |
| 84.07 | 1.1514 | 10.4 | (4,2,2) |
| 88.89 | 1.1009 | 12.3 | (4,2,1) |
Energy Properties
Formation Energy/atom
-0.27853
eV/atom
Energy/atom
-3.14600
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-17.3413
eV/atom
Volume/atom
23.03
ų
c/a Ratio
1.0000
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.0000
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
KVRH
58.085
GPa
GVRH
16.306
GPa
Young's Modulus E
44.732
GPa
Poisson Ratio ν
0.372
Pugh Ratio K/G
3.562
Vickers Hardness Est.
0.000
GPa
Ductility
Brittle
Anisotropy
2.927
Lame λ
47.214
GPa
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Mg · 0.333
Element Family
Alkali-AlkEarth
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
0.3948
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
4.890%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3243
smaller = more stable mixing
VEC
6.000
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-23.610
kJ/mol; negative = exothermic mixing
Entropy Norm
1.0000
SS Former
0
Phase Tendency
IM
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
C
Score
0.595
Family
Mg-rich Multi-Component
Matrix Element
Mg · 0.333
Elasticity Features
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
2.9270
Homogeneous Poisson ν
0.3720
Debye Temperature
192.8
K
Sound Velocity
1,843.0
m/s
Homogeneity
0.3720
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1008903
Reference Citation
The crystal structure and related material properties of MgAgSb were obtained from the Materials Project database (MP-ID: mp-1008903, 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_MgAgSb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.60553692
_cell_length_b 4.60553692
_cell_length_c 4.60553692
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural MgAgSb
_chemical_formula_sum 'Mg1 Ag1 Sb1'
_cell_volume 69.07578161
_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 0.50000000 0.50000000 0.50000000 1.0
Ag Ag1 1 0.75000000 0.75000000 0.75000000 1.0
Sb Sb2 1 -0.00000000 -0.00000000 0.00000000 1.0
