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Na8PtO6

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1173689 · Space group: P1 (#1)

Basic Information

Formula
Na8PtO6
MP-ID
mp-1173689
Elements
3
Sites
15
Density
3.6339
g/cm³
Volume
217.05
ų
Cell a
4.5033
Å
Cell b
10.7777
Å
Cell c
8.2414
Å
α Angle
40.06
°
β Angle
57.47
°
γ Angle
65.72
°
Space Group
P1
Point Group
1
Crystal System
Triclinic
Bravais Lattice
Triclinic P
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
12.74 6.9486 100.0 (0,1,1)
12.76 6.9365 99.6 (0,1,0)
18.06 4.9120 40.7 (0,2,1)
18.08 4.9062 40.4 (0,0,1)
19.72 4.5031 53.3 (1,1,1)
23.43 3.7969 16.8 (1,0,0)
23.55 3.7772 16.6 (1,2,1)
23.56 3.7767 16.7 (1,0,1)
23.65 3.7612 16.4 (1,2,2)
25.64 3.4743 7.0 (0,2,2)
25.69 3.4682 6.8 (0,2,0)
26.76 3.3313 8.7 (1,-1,0)
26.77 3.3298 9.0 (1,1,0)
26.96 3.3075 8.6 (1,3,2)
26.97 3.3054 8.4 (1,1,2)
28.72 3.1079 8.0 (0,3,2)
28.75 3.1049 21.1 (0,1,2)
28.76 3.1046 20.7 (0,3,1)
28.78 3.1017 8.1 (0,1,-1)
32.38 2.7646 11.6 (1,-1,-1)
32.59 2.7479 11.3 (1,3,1)
32.59 2.7476 11.4 (1,-1,1)
32.72 2.7371 11.0 (1,3,3)
34.93 2.5689 19.0 (1,-2,-1)
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Energy Properties

Formation Energy/atom
-1.32462
eV/atom
Energy/atom
-4.42413
eV/atom
Energy above Hull
0.1299
eV/atom
Uncorrected Energy
-4.1493
eV/atom
Volume/atom
14.47
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
0.1844
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000850
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Na · 0.533
Element Family
Alkali-AlkEarth
Solute Fraction
0.467
Interstitial Fraction
0.000

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.8823
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
7.3355
J/mol·K
Ω Parameter
0.3094
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
45.494%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
1.2020
smaller = more stable mixing
VEC
2.800
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-8.437
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8031
SS Former
0
Phase Tendency
IM

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
C
Score
0.418
Family
Na-rich Multi-Component
Matrix Element
Na · 0.533

Related Tasks

Related computation task IDs (1)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-1173689
Reference Citation

The crystal structure and related material properties of Na8PtO6 were obtained from the Materials Project database (MP-ID: mp-1173689, 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_Na8PtO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.50332177
_cell_length_b   10.77765576
_cell_length_c   8.24141314
_cell_angle_alpha   40.06044697
_cell_angle_beta   57.47189471
_cell_angle_gamma   65.71634534
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na8PtO6
_chemical_formula_sum   'Na8 Pt1 O6'
_cell_volume   217.05273372
_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  0.29322600  0.32565800  0.45578400  1.0
  Na  Na1  1  0.73836400  0.22533100  0.10716600  1.0
  Na  Na2  1  0.25283400  0.91993600  0.36853800  1.0
  Na  Na3  1  0.46408400  0.28880800  0.79076200  1.0
  Na  Na4  1  0.62814800  0.71083000  0.20823900  1.0
  Na  Na5  1  0.83620500  0.07989600  0.62979200  1.0
  Na  Na6  1  0.40141700  0.78055800  0.89039600  1.0
  Na  Na7  1  0.84748800  0.66747400  0.55578200  1.0
  Pt  Pt8  1  0.07671200  0.49992400  0.00080800  1.0
  O  O9  1  0.16975600  0.21811000  0.18735100  1.0
  O  O10  1  0.22748100  0.00189600  0.98896700  1.0
  O  O11  1  0.57070500  0.50048900  0.00381300  1.0
  O  O12  1  0.35554700  0.59422200  0.62323600  1.0
  O  O13  1  0.79622600  0.40550100  0.37755800  1.0
  O  O14  1  0.98180600  0.78136600  0.81180800  1.0
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