Navigation

HEAS Data Platform · Materials Science Database

NaYPt4

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3202052 · Space group: F-43m (#216)

Basic Information

Formula
NaYPt4
MP-ID
mp-3202052
Elements
3
Sites
6
Density
13.6233
g/cm³
Volume
108.75
ų
Cell a
5.3578
Å
Cell b
5.3578
Å
Cell c
5.3578
Å
α Angle
60.00
°
β Angle
60.00
°
γ Angle
60.00
°
Space Group
F-43m
Point Group
-43m
Crystal System
Cubic
Bravais Lattice
Cubic F
Stability
Yes
Packing Fraction
0.7400

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
20.30 4.3746 45.2 (1,0,0)
20.30 4.3746 45.2 (1,1,1)
23.48 3.7885 2.6 (1,1,0)
33.45 2.6789 2.9 (1,-1,0)
33.45 2.6789 2.9 (1,0,-1)
39.44 2.2846 100.0 (2,1,0)
39.44 2.2846 20.0 (1,0,2)
41.27 2.1873 48.0 (2,0,0)
41.27 2.1873 48.0 (2,2,2)
48.03 1.8943 33.9 (2,2,0)
52.65 1.7383 15.4 (2,0,-1)
52.65 1.7383 7.7 (2,2,3)
59.79 1.5467 1.3 (3,1,0)
63.83 1.4582 2.4 (3,0,0)
63.83 1.4582 29.3 (3,2,0)
63.83 1.4582 7.3 (2,0,3)
70.28 1.3395 13.2 (2,-2,0)
70.28 1.3395 19.7 (2,4,2)
70.28 1.3395 6.6 (2,2,4)
74.02 1.2808 8.6 (3,-1,1)
74.02 1.2808 7.2 (3,2,4)
74.02 1.2808 1.4 (2,1,4)
83.70 1.1555 5.8 (4,1,0)
83.70 1.1555 4.6 (1,4,0)
Get direct link

Energy Properties

Formation Energy/atom
-0.91109
eV/atom
Energy/atom
-39.21586
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-39.2159
eV/atom
Volume/atom
18.13
ų
c/a Ratio
-

Electronic Properties

Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
No
Total Mag. Moment
0.0004
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Pt · 0.667
Element Family
5d-TM
Solute Fraction
0.333
Interstitial Fraction
0.000

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.8676
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
7.2129
J/mol·K
Ω Parameter
0.2089
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
13.545%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.5742
smaller = more stable mixing
VEC
7.333
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-59.468
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7897
SS Former
0
Phase Tendency
AM

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.586
Family
Pt-rich Multi-Component
Matrix Element
Pt · 0.667

Related Tasks

Related computation task IDs (1)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-3202052
Reference Citation

The crystal structure and related material properties of NaYPt4 were obtained from the Materials Project database (MP-ID: mp-3202052, 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

BibTeX
@article{Horton2025,
  author  = {Horton, Matthew K. and Huck, Patrick and Yang, Ruo Xi and Munro, Jason M. and Dwaraknath, Shyam and Ganose, Alex M. and Kingsbury, Ryan S. and Wen, Mingjian and Shen, Jimmy X. and Mathis, Tyler S. and Kaplan, Aaron D. and Berket, Karlo and Riebesell, Janosh and George, Janine and Rosen, Andrew S. and Spotte-Smith, Evan W. C. and McDermott, Matthew J. and Cohen, Orion A. and Dunn, Alex and Kuner, Matthew C. and Rignanese, Gian-Marco and Petretto, Guido and Waroquiers, David and Griffin, Sinead M. and Neaton, Jeffrey B. and Chrzan, Daryl C. and Asta, Mark and Hautier, Geoffroy and Cholia, Shreyas and Ceder, Gerbrand and Ong, Shyue Ping and Jain, Anubhav and Persson, Kristin A.},
  title   = {Accelerated data-driven materials science with the Materials Project},
  journal = {Nature Materials},
  year    = {2025},
  volume  = {24},
  number  = {10},
  pages   = {1522--1532},
  month   = {oct},
  doi     = {10.1038/s41563-025-02272-0},
  issn    = {1476-4660},
  url     = {https://doi.org/10.1038/s41563-025-02272-0},
  abstract = {The Materials Project was launched formally in 2011 to drive materials discovery forwards through high-throughput computation and open data. More than a decade later, the Materials Project has become an indispensable tool used by more than 600,000 materials researchers around the world. This Perspective describes how the Materials Project, as a data platform and a software ecosystem, has helped to shape research in data-driven materials science. We cover how sustainable software and computational methods have accelerated materials design while becoming more open source and collaborative in nature. Next, we present cases where the Materials Project was used to understand and discover functional materials. We then describe our efforts to meet the needs of an expanding user base, through technical infrastructure updates ranging from data architecture and cloud resources to interactive web applications. Finally, we discuss opportunities to better aid the research community, with the vision that more accessible and easy-to-understand materials data will result in democratized materials knowledge and an increasingly collaborative community.}
}

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data
# generated using pymatgen
data_NaYPt4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.35779640
_cell_length_b   5.35779626
_cell_length_c   5.35779548
_cell_angle_alpha   59.99999882
_cell_angle_beta   59.99999964
_cell_angle_gamma   60.00000587
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaYPt4
_chemical_formula_sum   'Na1 Y1 Pt4'
_cell_volume   108.75357670
_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
  Na  Na0  1  0.25000000  0.25000000  0.25000000  1.0
  Y  Y1  1  0.00000000  0.00000000  0.00000000  1.0
  Pt  Pt2  1  0.62468395  0.62468395  0.12594815  1.0
  Pt  Pt3  1  0.62468395  0.12594815  0.62468395  1.0
  Pt  Pt4  1  0.12594815  0.62468395  0.62468395  1.0
  Pt  Pt5  1  0.62468395  0.62468395  0.62468395  1.0
Get direct link