Sc8Cd4Pt3Au5

High-Entropy Materials HEA

MP-ID: mp-3294241 · Space group: Cm (#8)

Materials Project API

Basic Information

Formula

Sc8Cd4Pt3Au5

MP-ID

mp-3294241

Elements

Sites

Density

9.9736

g/cm³

Volume

396.15

Å³

Cell a

7.6702

Cell b

7.6702

Cell c

6.7340

α Angle

90.03

β Angle

90.03

γ Angle

90.64

Space Group

Point Group

Crystal System

Monoclinic

Bravais Lattice

Stability

Yes

Packing Fraction

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 24)

2θ	d (Å)	I	hkl
16.25	5.4541	13.4	(1,-1,0)
16.44	5.3931	11.8	(1,1,0)
25.86	3.4456	60.7	(2,-1,0)
26.10	3.4147	57.6	(2,1,0)
26.47	3.3670	100.0	(0,0,2)
32.84	2.7270	5.6	(2,-2,0)
33.22	2.6966	7.5	(2,2,0)
35.47	2.5308	7.3	(2,0,-2)
35.49	2.5296	7.7	(2,0,2)
36.94	2.4336	73.2	(3,-1,0)
37.20	2.4173	63.0	(3,1,0)
37.34	2.4084	59.5	(2,-1,-2)
37.35	2.4079	60.3	(2,-1,2)
37.50	2.3983	60.6	(2,1,-2)
37.53	2.3968	60.3	(2,1,2)
42.26	2.1383	16.5	(3,-2,0)
42.67	2.1192	3.3	(2,-2,2)
42.73	2.1163	17.9	(3,2,0)
42.96	2.1054	1.6	(2,2,-2)
42.99	2.1041	1.6	(2,2,2)
46.01	1.9726	20.4	(3,-1,-2)
46.02	1.9721	10.0	(1,-3,-2)
46.02	1.9721	10.0	(3,-1,2)
46.22	1.9642	21.7	(3,1,-2)

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Energy Properties

Formation Energy/atom

-0.87208

eV/atom

Energy/atom

-29.82187

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-29.8219

eV/atom

Volume/atom

19.81

Å³

c/a Ratio

0.8779

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0290

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000070

μB/Å³

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

1.3195

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.9707

J/mol·K

Ω Parameter

0.2763

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

5.946%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4978

smaller = more stable mixing

VEC

7.850

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-58.947

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9519

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfldp

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3294241

Reference Citation

The crystal structure and related material properties of Sc8Cd4Pt3Au5 were obtained from the Materials Project database (MP-ID: mp-3294241, 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

3D Crystal Structure Rendering

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Raw CIF Data

# generated using pymatgen
data_Sc8Cd4Pt3Au5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.67023500
_cell_length_b   7.67023558
_cell_length_c   6.73399106
_cell_angle_alpha   90.02694382
_cell_angle_beta   90.02694323
_cell_angle_gamma   90.64414080
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc8Cd4Pt3Au5
_chemical_formula_sum   'Sc8 Cd4 Pt3 Au5'
_cell_volume   396.15246740
_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  0.16181229  0.16181229  0.00532136  1.0
  Sc  Sc1  1  0.83082484  0.83082484  0.99866914  1.0
  Sc  Sc2  1  0.65758041  0.35140028  0.49545777  1.0
  Sc  Sc3  1  0.35140028  0.65758041  0.49545777  1.0
  Sc  Sc4  1  0.66614931  0.34390837  0.00421714  1.0
  Sc  Sc5  1  0.34390837  0.66614931  0.00421714  1.0
  Sc  Sc6  1  0.82225961  0.82225961  0.50135413  1.0
  Sc  Sc7  1  0.17181278  0.17181278  0.49461979  1.0
  Cd  Cd8  1  0.49977321  0.00353735  0.24935820  1.0
  Cd  Cd9  1  0.50063326  0.99905064  0.75004223  1.0
  Cd  Cd10  1  0.00353735  0.49977321  0.24935820  1.0
  Cd  Cd11  1  0.99905064  0.50063326  0.75004223  1.0
  Pt  Pt12  1  0.36611051  0.36611051  0.24195111  1.0
  Pt  Pt13  1  0.63057349  0.63057349  0.75731343  1.0
  Pt  Pt14  1  0.63402057  0.63402057  0.24224610  1.0
  Au  Au15  1  0.86596491  0.13282250  0.74129522  1.0
  Au  Au16  1  0.86564477  0.13091860  0.25911057  1.0
  Au  Au17  1  0.36520231  0.36520231  0.75955867  1.0
  Au  Au18  1  0.13091860  0.86564477  0.25911057  1.0
  Au  Au19  1  0.13282250  0.86596491  0.74129522  1.0

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