YbPrCd2

High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-980044 · Space group: Fm-3m (#225)

Materials Project API

Basic Information

Formula

YbPrCd2

MP-ID

mp-980044

Elements

Sites

Density

8.3260

g/cm³

Volume

107.45

Å³

Cell a

5.3363

Cell b

5.3363

Cell c

5.3363

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
23.58	3.7734	2.7	(1,1,0)
33.59	2.6682	100.0	(2,1,1)
48.24	1.8867	17.9	(2,2,0)
54.37	1.6875	1.4	(3,2,1)
60.06	1.5405	36.7	(3,3,2)
70.60	1.3341	11.2	(4,2,2)
80.49	1.1932	15.7	(4,3,1)

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Energy Properties

Formation Energy/atom

-0.35500

eV/atom

Energy/atom

-26.89083

eV/atom

Energy above Hull

0.0151

eV/atom

Uncorrected Energy

-26.8908

eV/atom

Volume/atom

26.86

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0042

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000040

μB/Å³

Elastic Properties

K_VRH

41.352

GPa

G_VRH

21.500

GPa

Young's Modulus E

54.973

GPa

Poisson Ratio ν

0.278

Pugh Ratio K/G

1.923

Vickers Hardness Est.

2.600

GPa

Ductility

Brittle

Anisotropy

0.956

Lame λ

27.019

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Cd · 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

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

9.018%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2877

smaller = more stable mixing

VEC

10.250

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9464

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.419

Family

Cd-rich Multi-Component

Matrix Element

Cd · 0.500

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.9560

Homogeneous Poisson ν

0.2780

Debye Temperature

238.1

Sound Velocity

1,790.1

m/s

Homogeneity

0.2780

Related Tasks

Related computation task IDs (5)

aaadmfsm aaadwbal aaaeovah aaafsgyp aaahbavz

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-980044

Reference Citation

The crystal structure and related material properties of YbPrCd2 were obtained from the Materials Project database (MP-ID: mp-980044, 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_YbPrCd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33633916
_cell_length_b   5.33633916
_cell_length_c   5.33633916
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YbPrCd2
_chemical_formula_sum   'Yb1 Pr1 Cd2'
_cell_volume   107.45219101
_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
  Yb  Yb0  1  0.00000000  0.00000000  0.00000000  1.0
  Pr  Pr1  1  0.50000000  0.50000000  0.50000000  1.0
  Cd  Cd2  1  0.25000000  0.25000000  0.25000000  1.0
  Cd  Cd3  1  0.75000000  0.75000000  0.75000000  1.0

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