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Na4PtO4

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-675073 · Space group: C2/m (#12)

Basic Information

Formula
Na4PtO4
MP-ID
mp-675073
Elements
3
Sites
18
Density
4.7975
g/cm³
Volume
243.01
ų
Cell a
5.8310
Å
Cell b
5.8310
Å
Cell c
9.9704
Å
α Angle
88.30
°
β Angle
88.30
°
γ Angle
45.83
°
Space Group
C2/m
Point Group
2/m
Crystal System
Monoclinic
Bravais Lattice
Monoclinic C
Stability
No
Packing Fraction
0.5240

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
8.87 9.9653 100.0 (0,0,1)
16.51 5.3682 44.9 (1,1,0)
17.80 4.9826 11.6 (0,0,2)
18.52 4.7907 31.7 (1,1,1)
21.25 4.1817 69.1 (1,0,0)
22.96 3.8733 27.2 (1,0,1)
23.17 3.8389 1.3 (1,0,-1)
23.97 3.7119 2.5 (1,1,2)
24.77 3.5948 15.2 (1,1,-2)
26.84 3.3218 14.9 (0,0,3)
28.03 3.1836 6.2 (1,0,-2)
31.21 2.8662 5.6 (1,1,3)
31.84 2.8106 7.3 (2,1,0)
32.14 2.7850 7.8 (1,1,-3)
32.89 2.7231 35.8 (2,1,1)
33.34 2.6874 1.7 (2,1,-1)
34.26 2.6170 13.1 (1,0,3)
34.32 2.6129 7.3 (2,2,1)
34.70 2.5853 28.7 (1,0,-3)
34.90 2.5711 2.7 (2,2,-1)
36.05 2.4913 2.7 (0,0,4)
36.30 2.4749 3.7 (2,1,2)
37.12 2.4220 12.0 (2,1,-2)
37.55 2.3954 3.0 (2,2,2)
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Energy Properties

Formation Energy/atom
-1.35843
eV/atom
Energy/atom
-4.82842
eV/atom
Energy above Hull
0.1152
eV/atom
Uncorrected Energy
-4.5231
eV/atom
Volume/atom
13.50
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
0.0545
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000220
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Na · 0.444
Element Family
Alkali-AlkEarth
Solute Fraction
0.556
Interstitial Fraction
0.000

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.9650
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.0227
J/mol·K
Ω Parameter
0.2848
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
47.772%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
1.1836
smaller = more stable mixing
VEC
3.333
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-11.719
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8783
SS Former
0
Phase Tendency
IM

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
C
Score
0.373
Family
Na-rich Multi-Component
Matrix Element
Na · 0.444

Related Tasks

Related computation task IDs (2)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-675073
Reference Citation

The crystal structure and related material properties of Na4PtO4 were obtained from the Materials Project database (MP-ID: mp-675073, 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_Na4PtO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.83098168
_cell_length_b   5.83098168
_cell_length_c   9.97041143
_cell_angle_alpha   88.30496193
_cell_angle_beta   88.30496193
_cell_angle_gamma   45.82505478
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na4PtO4
_chemical_formula_sum   'Na8 Pt2 O8'
_cell_volume   243.00879261
_cell_formula_units_Z   2
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  0.37232700  0.37232700  0.95588100  1.0
  Na  Na1  1  0.62767300  0.62767300  0.04411900  1.0
  Na  Na2  1  0.25783600  0.25783600  0.27331800  1.0
  Na  Na3  1  0.92748900  0.92748900  0.17729600  1.0
  Na  Na4  1  0.85343300  0.85343300  0.45263400  1.0
  Na  Na5  1  0.14656700  0.14656700  0.54736600  1.0
  Na  Na6  1  0.07251100  0.07251100  0.82270400  1.0
  Na  Na7  1  0.74216400  0.74216400  0.72668200  1.0
  Pt  Pt8  1  0.54810300  0.54810300  0.34506900  1.0
  Pt  Pt9  1  0.45189700  0.45189700  0.65493100  1.0
  O  O10  1  0.45648100  0.45648100  0.16373700  1.0
  O  O11  1  0.05579500  0.05579500  0.34186200  1.0
  O  O12  1  0.71830900  0.71830900  0.24472300  1.0
  O  O13  1  0.61822400  0.61822400  0.53563900  1.0
  O  O14  1  0.38177600  0.38177600  0.46436100  1.0
  O  O15  1  0.28169100  0.28169100  0.75527700  1.0
  O  O16  1  0.94420500  0.94420500  0.65813800  1.0
  O  O17  1  0.54351900  0.54351900  0.83626300  1.0
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