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Sc8PtPb4Au7

High-Entropy Materials HEA

MP-ID: mp-3292522 · Space group: Cm (#8)

Basic Information

Formula
Sc8PtPb4Au7
MP-ID
mp-3292522
Elements
4
Sites
20
Density
11.0448
g/cm³
Volume
415.30
ų
Cell a
7.7029
Å
Cell b
7.7030
Å
Cell c
6.9993
Å
α Angle
90.09
°
β Angle
90.09
°
γ Angle
90.08
°
Space Group
Cm
Point Group
m
Crystal System
Monoclinic
Bravais Lattice
Monoclinic C
Stability
Yes
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
17.10 5.1844 2.9 (0,1,-1)
17.10 5.1843 2.9 (1,0,-1)
17.13 5.1760 3.2 (1,0,1)
17.13 5.1760 3.2 (0,1,1)
20.65 4.3014 1.4 (1,1,-1)
23.09 3.8515 11.7 (0,2,0)
23.09 3.8514 11.7 (2,0,0)
25.45 3.4996 100.0 (0,0,2)
25.85 3.4469 21.0 (1,-2,0)
25.85 3.4469 21.0 (2,-1,0)
25.88 3.4429 20.8 (1,2,0)
25.88 3.4428 20.8 (2,1,0)
30.33 2.9467 1.4 (1,1,-2)
30.35 2.9449 1.0 (1,-1,2)
30.35 2.9449 1.0 (1,-1,-2)
32.86 2.7254 12.4 (2,-2,0)
32.91 2.7214 13.1 (2,2,0)
34.60 2.5922 10.5 (0,2,-2)
34.60 2.5922 10.5 (2,0,-2)
34.66 2.5880 12.7 (2,0,2)
34.66 2.5880 12.7 (0,2,2)
35.34 2.5397 2.2 (2,-2,1)
35.34 2.5396 2.2 (2,-2,-1)
35.36 2.5384 2.2 (2,2,-1)
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Energy Properties

Formation Energy/atom
-0.79044
eV/atom
Energy/atom
-36.88598
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-36.8860
eV/atom
Volume/atom
20.77
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
0.0012
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
Sc · 0.400
Element Family
3d-TM
Solute Fraction
0.600
Interstitial Fraction
0.000

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.2056
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
10.0236
J/mol·K
Ω Parameter
0.2779
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
7.797%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.5398
smaller = more stable mixing
VEC
6.350
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-51.068
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8697
SS Former
0
Phase Tendency
AM

Related Tasks

Related computation task IDs (1)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-3292522
Reference Citation

The crystal structure and related material properties of Sc8PtPb4Au7 were obtained from the Materials Project database (MP-ID: mp-3292522, 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_Sc8PtPb4Au7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.70289972
_cell_length_b   7.70296862
_cell_length_c   6.99927182
_cell_angle_alpha   90.09350296
_cell_angle_beta   90.09271798
_cell_angle_gamma   90.08330942
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc8PtPb4Au7
_chemical_formula_sum   'Sc8 Pt1 Pb4 Au7'
_cell_volume   415.30161989
_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
  Sc  Sc0  1  0.15477926  0.15477699  0.00665885  1.0
  Sc  Sc1  1  0.85199969  0.85199054  0.99875421  1.0
  Sc  Sc2  1  0.64087472  0.34432723  0.49394351  1.0
  Sc  Sc3  1  0.34432548  0.64087467  0.49395221  1.0
  Sc  Sc4  1  0.67832422  0.31415385  0.00471940  1.0
  Sc  Sc5  1  0.31415069  0.67832589  0.00471530  1.0
  Sc  Sc6  1  0.81666226  0.81667054  0.49872395  1.0
  Sc  Sc7  1  0.19028201  0.19028544  0.49600035  1.0
  Pt  Pt8  1  0.37308746  0.37308639  0.22033090  1.0
  Pb  Pb9  1  0.49938305  0.00285899  0.24738548  1.0
  Pb  Pb10  1  0.50062841  0.99725716  0.74990426  1.0
  Pb  Pb11  1  0.00286039  0.49938636  0.24738822  1.0
  Pb  Pb12  1  0.99726307  0.50062725  0.74990052  1.0
  Au  Au13  1  0.62754331  0.62754249  0.78164581  1.0
  Au  Au14  1  0.62978300  0.62978735  0.21197187  1.0
  Au  Au15  1  0.87377710  0.13071098  0.71463717  1.0
  Au  Au16  1  0.87291412  0.12898789  0.28698590  1.0
  Au  Au17  1  0.37166745  0.37166826  0.79078928  1.0
  Au  Au18  1  0.12897970  0.87290326  0.28695936  1.0
  Au  Au19  1  0.13071061  0.87377747  0.71463245  1.0
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