Pr2CdAg

High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-982010 · Space group: Fm-3m (#225)

Materials Project API

Basic Information

Formula

Pr2CdAg

MP-ID

mp-982010

Elements

Sites

Density

7.4678

g/cm³

Volume

111.65

Å³

Cell a

5.4049

Cell b

5.4049

Cell c

5.4049

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

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 7)

2θ	d (Å)	I	hkl
23.27	3.8218	1.4	(1,1,0)
33.15	2.7024	100.0	(2,1,1)
47.59	1.9109	17.9	(2,2,0)
59.22	1.5603	36.6	(3,3,2)
69.58	1.3512	11.2	(4,2,2)
79.27	1.2086	15.5	(4,3,1)
88.66	1.1033	4.0	(4,4,4)

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Energy Properties

Formation Energy/atom

-0.25452

eV/atom

Energy/atom

-3.60299

eV/atom

Energy above Hull

0.0071

eV/atom

Uncorrected Energy

-25.3570

eV/atom

Volume/atom

27.91

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.5770

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.005170

μB/Å³

Elastic Properties

K_VRH

50.574

GPa

G_VRH

17.421

GPa

Young's Modulus E

46.880

GPa

Poisson Ratio ν

0.346

Pugh Ratio K/G

2.903

Vickers Hardness Est.

0.059

GPa

Ductility

Brittle

Anisotropy

2.409

Lame λ

38.960

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Pr · 0.500

Element Family

Lanthanide

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

9.1741

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

11.376%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3504

smaller = more stable mixing

VEC

7.250

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-1.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9464

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.464

Family

Pr-rich Multi-Component

Matrix Element

Pr · 0.500

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

2.4090

Homogeneous Poisson ν

0.3460

Debye Temperature

221.6

Sound Velocity

1,716.2

m/s

Homogeneity

0.3460

Related Tasks

Related computation task IDs (5)

aaadmfyx aaadwcyp aaaeilvu aaaesmcn aaafshdn

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-982010

Reference Citation

The crystal structure and related material properties of Pr2CdAg were obtained from the Materials Project database (MP-ID: mp-982010, 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_Pr2CdAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.40488718
_cell_length_b   5.40488718
_cell_length_c   5.40488718
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr2CdAg
_chemical_formula_sum   'Pr2 Cd1 Ag1'
_cell_volume   111.64644590
_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
  Pr  Pr0  1  0.49999900  0.49999900  0.49999900  1.0
  Pr  Pr1  1  -0.00000000  -0.00000000  -0.00000000  1.0
  Cd  Cd2  1  0.75000000  0.75000000  0.75000000  1.0
  Ag  Ag3  1  0.25000100  0.25000100  0.25000100  1.0

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