Sc4Al24NiPt8

High-Entropy Materials HEA

MP-ID: mp-3297258 · Space group: P-1 (#2)

Materials Project API

Basic Information

Formula

Sc4Al24NiPt8

MP-ID

mp-3297258

Elements

Sites

Density

6.7679

g/cm³

Volume

600.33

Å³

Cell a

7.3984

Cell b

7.3750

Cell c

12.9321

α Angle

84.54

β Angle

79.05

γ Angle

60.06

Space Group

P-1

Point Group

-1

Crystal System

Triclinic

Bravais Lattice

Triclinic P

Stability

Yes

Packing Fraction

0.5240

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å

Diffraction Peaks (Top 24)

2θ	d (Å)	I	hkl
6.96	12.6968	27.5	(0,0,1)
13.86	6.3908	1.1	(0,1,0)
13.95	6.3484	3.1	(0,0,2)
14.01	6.3231	4.2	(1,0,0)
14.58	6.0743	2.8	(1,0,1)
14.61	6.0617	2.5	(1,1,1)
15.52	5.7096	2.4	(0,1,1)
16.66	5.3205	1.1	(1,0,-1)
16.70	5.3101	1.3	(1,1,-1)
18.12	4.8970	1.1	(1,1,2)
19.72	4.5027	1.4	(0,1,-2)
20.99	4.2323	100.0	(0,0,3)
21.41	4.1506	1.1	(1,0,-2)
21.44	4.1452	1.1	(1,1,-2)
23.28	3.8207	1.3	(1,0,3)
24.17	3.6816	55.4	(2,1,1)
24.19	3.6797	55.1	(1,-1,0)
24.25	3.6703	55.6	(1,2,0)
24.51	3.6319	4.6	(2,1,0)
24.53	3.6284	4.7	(1,-1,1)
24.59	3.6203	4.5	(1,2,1)
25.85	3.4472	13.9	(2,1,2)
25.85	3.4471	13.9	(1,-1,-1)
25.91	3.4386	13.9	(1,2,-1)

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Energy Properties

Formation Energy/atom

-0.92484

eV/atom

Energy/atom

-17.98018

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-17.9802

eV/atom

Volume/atom

16.23

Å³

c/a Ratio

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0032

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000010

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Al · 0.649

Element Family

PostTransition-Noble

Solute Fraction

0.351

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9500

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.8983

J/mol·K

Ω Parameter

0.2382

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

5.009%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3006

smaller = more stable mixing

VEC

4.703

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-42.759

kJ/mol; negative = exothermic mixing

Entropy Norm

0.6853

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfppq

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3297258

Reference Citation

The crystal structure and related material properties of Sc4Al24NiPt8 were obtained from the Materials Project database (MP-ID: mp-3297258, 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…

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Raw CIF Data

# generated using pymatgen
data_Sc4Al24NiPt8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.39843129
_cell_length_b   7.37500738
_cell_length_c   12.93210636
_cell_angle_alpha   84.53589129
_cell_angle_beta   79.05326602
_cell_angle_gamma   60.05949560
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc4Al24NiPt8
_chemical_formula_sum   'Sc4 Al24 Ni1 Pt8'
_cell_volume   600.32559791
_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  0.39730535  0.16408049  0.81023416  1.0
  Sc  Sc1  1  0.60269465  0.83591951  0.18976584  1.0
  Sc  Sc2  1  0.72889503  0.49872889  0.81028462  1.0
  Sc  Sc3  1  0.27110497  0.50127111  0.18971538  1.0
  Al  Al4  1  0.68821354  0.82623414  0.94513425  1.0
  Al  Al5  1  0.31178646  0.17376586  0.05486575  1.0
  Al  Al6  1  0.14638710  0.83265153  0.56191327  1.0
  Al  Al7  1  0.85361290  0.16734847  0.43808673  1.0
  Al  Al8  1  0.47977124  0.16628603  0.56008682  1.0
  Al  Al9  1  0.52022876  0.83371397  0.43991318  1.0
  Al  Al10  1  0.22060891  0.16789098  0.32196706  1.0
  Al  Al11  1  0.77939109  0.83210902  0.67803294  1.0
  Al  Al12  1  0.43573882  0.50347349  0.67820349  1.0
  Al  Al13  1  0.56426118  0.49652651  0.32179651  1.0
  Al  Al14  1  0.10713520  0.16204947  0.67766341  1.0
  Al  Al15  1  0.89286480  0.83795053  0.32233659  1.0
  Al  Al16  1  0.34820433  0.49622972  0.94514832  1.0
  Al  Al17  1  0.65179567  0.50377028  0.05485168  1.0
  Al  Al18  1  0.01589533  0.17803662  0.95217668  1.0
  Al  Al19  1  0.98410467  0.82196338  0.04782332  1.0
  Al  Al20  1  0.18716885  0.49975030  0.43964883  1.0
  Al  Al21  1  0.81283115  0.50024970  0.56035117  1.0
  Al  Al22  1  0.73325804  0.16576265  0.18128481  1.0
  Al  Al23  1  0.26674196  0.83423735  0.81871519  1.0
  Al  Al24  1  0.05932096  0.61617606  0.82157512  1.0
  Al  Al25  1  0.94067904  0.38382394  0.17842488  1.0
  Al  Al26  1  0.85305018  0.04139252  0.81821213  1.0
  Al  Al27  1  0.14694982  0.95860748  0.18178787  1.0
  Ni  Ni28  1  0.00000000  0.50000000  0.00000000  1.0
  Pt  Pt29  1  0.12032971  0.49152413  0.63959514  1.0
  Pt  Pt30  1  0.87967029  0.50847587  0.36040486  1.0
  Pt  Pt31  1  0.65655984  0.17181311  0.99976065  1.0
  Pt  Pt32  1  0.34344016  0.82818689  0.00023935  1.0
  Pt  Pt33  1  0.53829105  0.16725037  0.35984122  1.0
  Pt  Pt34  1  0.46170895  0.83274963  0.64015878  1.0
  Pt  Pt35  1  0.77885047  0.17423139  0.63889794  1.0
  Pt  Pt36  1  0.22114953  0.82576861  0.36110206  1.0

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