CdPPt5

High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-1025187 · Space group: P4/mmm (#123)

Materials Project API

Basic Information

Formula

CdPPt5

MP-ID

mp-1025187

Elements

Sites

Density

16.8303

g/cm³

Volume

110.39

Å³

Cell a

3.9416

Cell b

3.9416

Cell c

7.1051

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

P4/mmm

Point Group

4/mmm

Crystal System

Tetragonal

Bravais Lattice

Stability

Yes

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
22.56	3.9416	3.0	(1,0,0)
25.07	3.5526	8.0	(0,0,2)
32.11	2.7871	19.3	(1,1,0)
33.97	2.6389	2.1	(1,0,2)
34.57	2.5946	44.9	(1,1,1)
37.99	2.3684	26.5	(0,0,3)
41.17	2.1928	100.0	(1,1,2)
46.05	1.9708	47.8	(2,0,0)
50.57	1.8048	6.8	(1,1,3)
51.44	1.7763	5.0	(0,0,4)
53.15	1.7234	4.5	(2,0,2)
61.18	1.5149	26.8	(2,0,3)
65.71	1.4210	1.7	(0,0,5)
67.17	1.3936	15.6	(2,2,0)
71.50	1.3194	7.4	(2,0,4)
72.92	1.2973	1.8	(2,2,2)
75.03	1.2660	20.4	(1,1,5)
76.41	1.2464	3.5	(3,1,0)
77.80	1.2277	8.7	(3,1,1)
79.86	1.2011	12.6	(2,2,3)
81.24	1.1842	1.1	(0,0,6)
81.91	1.1762	27.8	(3,1,2)
83.95	1.1526	3.5	(2,0,5)
88.68	1.1030	3.0	(3,1,3)

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Energy Properties

Formation Energy/atom

-0.33184

eV/atom

Energy/atom

-5.57915

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-41.3385

eV/atom

Volume/atom

15.77

Å³

c/a Ratio

1.8026

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

197.567

GPa

G_VRH

60.385

GPa

Young's Modulus E

164.405

GPa

Poisson Ratio ν

0.361

Pugh Ratio K/G

3.272

Vickers Hardness Est.

2.503

GPa

Ductility

Brittle

Anisotropy

1.072

Lame λ

157.310

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Pt · 0.714

Element Family

5d-TM

Solute Fraction

0.286

Interstitial Fraction

0.143

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.7963

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

6.6205

J/mol·K

Ω Parameter

2.7020

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

8.502%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2036

smaller = more stable mixing

VEC

9.571

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-3.891

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7248

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.616

Family

Interstitial Alloy

Matrix Element

Pt · 0.714

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

1.0720

Homogeneous Poisson ν

0.3610

Debye Temperature

253.2

Sound Velocity

2,132.9

m/s

Homogeneity

0.3610

Related Tasks

Related computation task IDs (5)

aaadmlhz aaadsbsp aaaelwfu aaaeuuis aaafxhsm

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1025187

Reference Citation

The crystal structure and related material properties of CdPPt5 were obtained from the Materials Project database (MP-ID: mp-1025187, 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_CdPPt5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.94158966
_cell_length_b   3.94158966
_cell_length_c   7.10509448
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdPPt5
_chemical_formula_sum   'Cd1 P1 Pt5'
_cell_volume   110.38566474
_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
  Cd  Cd0  1  0.50000000  0.50000000  0.00000000  1.0
  P  P1  1  -0.00000000  -0.00000000  0.50000000  1.0
  Pt  Pt2  1  -0.00000000  0.50000000  0.29894955  1.0
  Pt  Pt3  1  0.00000000  0.50000000  0.70105045  1.0
  Pt  Pt4  1  0.50000000  -0.00000000  0.29894955  1.0
  Pt  Pt5  1  0.50000000  0.00000000  0.70105045  1.0
  Pt  Pt6  1  -0.00000000  -0.00000000  0.00000000  1.0

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