MgCdAg2

High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-30727 · Space group: Fm-3m (#225)

Materials Project API

Basic Information

Formula

MgCdAg2

MP-ID

mp-30727

Elements

Sites

Density

7.9748

g/cm³

Volume

73.39

Å³

Cell a

4.6995

Cell b

4.6995

Cell c

4.6995

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 24)

2θ	d (Å)	I	hkl
23.18	3.8371	7.3	(0,1,0)
23.18	3.8371	21.9	(1,1,1)
26.83	3.3230	9.3	(1,0,1)
26.83	3.3230	4.6	(1,1,0)
38.31	2.3497	100.0	(1,-1,0)
38.31	2.3497	100.0	(1,0,-1)
45.25	2.0039	2.4	(0,2,1)
45.25	2.0039	9.7	(2,2,1)
45.25	2.0039	2.4	(1,1,-1)
47.38	1.9186	1.9	(0,2,0)
47.38	1.9186	1.9	(2,0,0)
55.29	1.6615	21.8	(2,0,2)
55.29	1.6615	10.9	(2,2,0)
60.74	1.5247	1.5	(1,-2,0)
60.74	1.5247	2.9	(3,2,2)
60.74	1.5247	1.5	(3,1,1)
62.50	1.4861	1.2	(1,3,2)
62.50	1.4861	1.9	(1,-1,2)
62.50	1.4861	1.2	(1,2,-1)
69.26	1.3566	10.8	(0,3,1)
69.26	1.3566	26.9	(3,2,3)
69.26	1.3566	16.1	(3,3,2)
69.26	1.3566	10.8	(1,1,-2)
74.13	1.2790	2.4	(3,0,2)

Get direct link

Energy Properties

Formation Energy/atom

-0.14649

eV/atom

Energy/atom

-2.21558

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-16.8957

eV/atom

Volume/atom

18.35

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

69.740

GPa

G_VRH

25.347

GPa

Young's Modulus E

67.824

GPa

Poisson Ratio ν

0.338

Pugh Ratio K/G

2.751

Vickers Hardness Est.

1.056

GPa

Ductility

Brittle

Anisotropy

4.904

Lame λ

52.842

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

0.6349

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

4.388%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2535

smaller = more stable mixing

VEC

9.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-13.571

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

4.9040

Homogeneous Poisson ν

0.3380

Debye Temperature

225.8

Sound Velocity

2,001.2

m/s

Homogeneity

0.3380

Related Tasks

Related computation task IDs (5)

aaadmqyb aaadrmrh aaaegzcm aaaeurso aaafsafq

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-30727

Reference Citation

The crystal structure and related material properties of MgCdAg2 were obtained from the Materials Project database (MP-ID: mp-30727, 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…

Style: Ball & Stick | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_MgCdAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.69946655
_cell_length_b   4.69946733
_cell_length_c   4.69946709
_cell_angle_alpha   59.99999441
_cell_angle_beta   59.99998881
_cell_angle_gamma   60.00000651
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCdAg2
_chemical_formula_sum   'Mg1 Cd1 Ag2'
_cell_volume   73.38896763
_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
  Cd  Cd1  1  -0.00000000  -0.00000000  0.00000000  1.0
  Ag  Ag2  1  0.75000000  0.75000000  0.75000000  1.0
  Ag  Ag3  1  0.25000000  0.25000000  0.25000000  1.0

Get direct link