Pr14IrPt5

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3294750 · Space group: Cm (#8)

Materials Project API

Basic Information

Formula

Pr14IrPt5

MP-ID

mp-3294750

Elements

Sites

Density

8.8177

g/cm³

Volume

591.39

Å³

Cell a

6.5342

Cell b

10.2237

Cell c

10.2237

α Angle

120.02

β Angle

89.84

γ Angle

90.16

Space Group

Point Group

Crystal System

Monoclinic

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
16.84	5.2659	10.5	(1,-1,0,1)
16.85	5.2613	21.6	(1,-1,0,0)
16.88	5.2531	22.9	(1,1,-2,0)
16.89	5.2494	10.6	(1,1,-2,-1)
17.35	5.1118	7.9	(0,2,-2,-1)
17.35	5.1118	7.9	(0,1,-1,-2)
17.35	5.1107	7.0	(0,1,-1,1)
20.06	4.4273	4.6	(0,2,-2,-2)
20.06	4.4263	5.0	(0,2,-2,0)
20.06	4.4263	5.0	(0,0,0,2)
24.25	3.6708	3.8	(1,-2,1,2)
24.27	3.6674	7.5	(1,0,-1,2)
24.31	3.6619	8.0	(1,2,-3,0)
24.32	3.6597	3.9	(1,2,-3,-2)
26.64	3.3466	1.2	(0,3,-3,-2)
27.30	3.2671	19.0	(2,0,-2,0)
29.10	3.0684	14.0	(2,-1,-1,1)
29.12	3.0667	29.1	(2,0,-2,1)
29.15	3.0634	14.7	(2,1,-3,0)
29.15	3.0634	14.7	(2,0,-2,-1)
29.17	3.0619	15.0	(2,1,-3,-1)
29.96	2.9824	30.7	(1,-3,2,2)
29.97	2.9814	27.9	(1,-3,2,1)
30.00	2.9788	29.7	(1,-2,1,-1)

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Energy Properties

Formation Energy/atom

-0.75507

eV/atom

Energy/atom

-36.82773

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-36.8277

eV/atom

Volume/atom

29.57

Å³

c/a Ratio

1.5646

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0022

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Pr · 0.700

Element Family

Lanthanide

Solute Fraction

0.300

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.7460

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

6.2025

J/mol·K

Ω Parameter

7.4073

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

12.463%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.5211

smaller = more stable mixing

VEC

5.050

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-1.250

kJ/mol; negative = exothermic mixing

Entropy Norm

0.6791

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.678

Family

Pr-rich Multi-Component

Matrix Element

Pr · 0.700

Related Tasks

Related computation task IDs (1)

aaahflxe

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3294750

Reference Citation

The crystal structure and related material properties of Pr14IrPt5 were obtained from the Materials Project database (MP-ID: mp-3294750, 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_Pr14IrPt5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.53422993
_cell_length_b   10.22369960
_cell_length_c   10.22369825
_cell_angle_alpha   120.01546518
_cell_angle_beta   89.83786796
_cell_angle_gamma   90.16212884
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr14IrPt5
_chemical_formula_sum   'Pr14 Ir1 Pt5'
_cell_volume   591.38612257
_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  0.45906722  0.33303964  0.66696036  1.0
  Pr  Pr1  1  0.96543094  0.66837826  0.33162174  1.0
  Pr  Pr2  1  0.24317487  0.12759017  0.87240983  1.0
  Pr  Pr3  1  0.24373707  0.74868735  0.87874729  1.0
  Pr  Pr4  1  0.24373707  0.12125271  0.25131265  1.0
  Pr  Pr5  1  0.75018829  0.87305145  0.12694855  1.0
  Pr  Pr6  1  0.74400790  0.25410240  0.12646503  1.0
  Pr  Pr7  1  0.74400790  0.87353497  0.74589760  1.0
  Pr  Pr8  1  0.44086270  0.53595086  0.46404914  1.0
  Pr  Pr9  1  0.43784552  0.92290649  0.45856237  1.0
  Pr  Pr10  1  0.43784552  0.54143763  0.07709351  1.0
  Pr  Pr11  1  0.94103637  0.46395854  0.53604146  1.0
  Pr  Pr12  1  0.93953405  0.07312638  0.53519419  1.0
  Pr  Pr13  1  0.93953405  0.46480581  0.92687362  1.0
  Ir  Ir14  1  0.19186684  0.81066903  0.18933097  1.0
  Pt  Pt15  1  0.19303298  0.37667829  0.18978137  1.0
  Pt  Pt16  1  0.19303298  0.81021863  0.62332171  1.0
  Pt  Pt17  1  0.69378359  0.18902939  0.81097061  1.0
  Pt  Pt18  1  0.69213656  0.62180565  0.81022363  1.0
  Pt  Pt19  1  0.69213656  0.18977637  0.37819435  1.0

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