HfSc7(InPt2)4

High-Entropy Materials HEA

MP-ID: mp-3296733 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

HfSc7(InPt2)4

MP-ID

mp-3296733

Elements

Sites

Density

10.9168

g/cm³

Volume

382.27

Å³

Cell a

7.5505

Cell b

7.5506

Cell c

6.7055

α Angle

90.00

β Angle

90.00

γ Angle

90.47

Space Group

Amm2

Point Group

mm2

Crystal System

Orthorhombic

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
11.72	7.5503	5.5	(0,1,0)
11.72	7.5502	5.5	(1,0,0)
13.20	6.7055	4.7	(0,0,1)
16.54	5.3607	28.5	(1,-1,0)
16.67	5.3173	10.2	(1,1,0)
17.69	5.0137	8.3	(0,1,1)
17.69	5.0137	8.3	(1,0,1)
21.33	4.1663	1.7	(1,1,1)
23.57	3.7752	1.2	(0,2,0)
23.57	3.7751	1.2	(2,0,0)
26.31	3.3876	29.5	(1,-2,0)
26.31	3.3876	29.4	(2,-1,0)
26.48	3.3657	24.5	(1,2,0)
26.48	3.3656	24.5	(2,1,0)
26.59	3.3527	100.0	(0,0,2)
27.11	3.2896	1.3	(0,2,1)
27.11	3.2896	1.3	(2,0,1)
29.14	3.0642	1.1	(0,1,2)
29.14	3.0642	1.1	(1,0,2)
29.54	3.0237	1.1	(1,-2,1)
29.54	3.0237	1.1	(2,-1,1)
29.70	3.0080	1.3	(1,2,1)
29.70	3.0080	1.3	(2,1,1)
31.55	2.8360	2.5	(1,1,2)

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Energy Properties

Formation Energy/atom

-1.13608

eV/atom

Energy/atom

-32.49392

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-32.4939

eV/atom

Volume/atom

19.11

Å³

c/a Ratio

0.8881

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0015

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Pt · 0.400

Element Family

5d-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

0.3130

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

7.900%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4152

smaller = more stable mixing

VEC

5.850

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-53.238

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8697

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfovl

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3296733

Reference Citation

The crystal structure and related material properties of HfSc7(InPt2)4 were obtained from the Materials Project database (MP-ID: mp-3296733, 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_HfSc7(InPt2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.55047127
_cell_length_b   7.55056111
_cell_length_c   6.70547345
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.46592371
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSc7(InPt2)4
_chemical_formula_sum   'Hf1 Sc7 In4 Pt8'
_cell_volume   382.26837798
_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
  Hf  Hf0  1  0.17040936  0.17041373  0.50000000  1.0
  Sc  Sc1  1  0.15697093  0.15698202  0.00000000  1.0
  Sc  Sc2  1  0.84210803  0.84210095  0.00000000  1.0
  Sc  Sc3  1  0.65899576  0.34325800  0.50000000  1.0
  Sc  Sc4  1  0.34324694  0.65897857  0.50000000  1.0
  Sc  Sc5  1  0.67261489  0.32707517  0.00000000  1.0
  Sc  Sc6  1  0.32705796  0.67259939  0.00000000  1.0
  Sc  Sc7  1  0.82680347  0.82679449  0.50000000  1.0
  In  In8  1  0.50183713  0.00010975  0.24984817  1.0
  In  In9  1  0.50183713  0.00010975  0.75015183  1.0
  In  In10  1  0.00010916  0.50183727  0.24984769  1.0
  In  In11  1  0.00010916  0.50183727  0.75015231  1.0
  Pt  Pt12  1  0.36496197  0.36497143  0.23865233  1.0
  Pt  Pt13  1  0.63112234  0.63111573  0.76524552  1.0
  Pt  Pt14  1  0.63112234  0.63111573  0.23475448  1.0
  Pt  Pt15  1  0.86943938  0.13343051  0.73343914  1.0
  Pt  Pt16  1  0.86943938  0.13343051  0.26656086  1.0
  Pt  Pt17  1  0.36496197  0.36497143  0.76134767  1.0
  Pt  Pt18  1  0.13342536  0.86943314  0.26656114  1.0
  Pt  Pt19  1  0.13342536  0.86943314  0.73343886  1.0

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