FeSbPt

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-669307 · Space group: P2_13 (#198)

Materials Project API

Basic Information

Formula

FeSbPt

MP-ID

mp-669307

Elements

Sites

Density

10.6980

g/cm³

Volume

231.39

Å³

Cell a

6.1393

Cell b

6.1393

Cell c

6.1393

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

P2_13

Point Group

Crystal System

Cubic

Bravais Lattice

Stability

Packing Fraction

0.5236

X-ray Diffraction

Diffraction Pattern

Target / Radiation

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

Diffraction Peaks (Top 23)

2θ	d (Å)	I	hkl
25.12	3.5445	51.3	(1,1,1)
29.09	3.0696	93.7	(2,0,0)
32.61	2.7456	94.9	(2,1,0)
35.83	2.5064	66.4	(2,1,1)
41.61	2.1706	50.1	(2,2,0)
44.26	2.0464	20.7	(2,2,1)
46.79	1.9414	8.6	(3,1,0)
49.22	1.8511	100.0	(3,1,1)
51.57	1.7723	16.2	(2,2,2)
53.84	1.7027	9.5	(3,2,0)
56.05	1.6408	55.2	(3,2,1)
62.36	1.4890	18.8	(4,1,0)
64.38	1.4470	12.8	(4,1,1)
66.37	1.4085	8.5	(3,3,1)
68.33	1.3728	8.7	(4,2,0)
70.26	1.3397	26.2	(4,2,1)
72.17	1.3089	7.5	(3,3,2)
75.93	1.2532	7.3	(4,2,2)
77.78	1.2279	3.9	(4,3,0)
79.63	1.2040	24.6	(5,1,0)
81.46	1.1815	21.8	(5,1,1)
85.10	1.1400	29.0	(4,3,2)
86.91	1.1209	15.4	(5,2,1)

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Energy Properties

Formation Energy/atom

0.39088

eV/atom

Energy/atom

-5.83251

eV/atom

Energy above Hull

0.7077

eV/atom

Uncorrected Energy

-5.8325

eV/atom

Volume/atom

19.28

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.3354

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.001450

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Fe · 0.333

Element Family

3d-TM

Solute Fraction

0.667

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0986

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.1339

J/mol·K

Ω Parameter

2.2015

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

5.803%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1837

smaller = more stable mixing

VEC

7.667

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-6.577

kJ/mol; negative = exothermic mixing

Entropy Norm

1.0000

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.395

Family

Fe-rich Multi-Component

Matrix Element

Fe · 0.333

Related Tasks

Related computation task IDs (2)

aaadbese aaaezihw

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-669307

Reference Citation

The crystal structure and related material properties of FeSbPt were obtained from the Materials Project database (MP-ID: mp-669307, 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

Loading 3D structure…

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Raw CIF Data

# generated using pymatgen
data_FeSbPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.13928500
_cell_length_b   6.13928500
_cell_length_c   6.13928500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeSbPt
_chemical_formula_sum   'Fe4 Sb4 Pt4'
_cell_volume   231.39468777
_cell_formula_units_Z   4
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
  Fe  Fe0  1  0.62156800  0.37843200  0.87843200  1.0
  Fe  Fe1  1  0.37843200  0.87843200  0.62156800  1.0
  Fe  Fe2  1  0.12156800  0.12156800  0.12156800  1.0
  Fe  Fe3  1  0.87843200  0.62156800  0.37843200  1.0
  Sb  Sb4  1  0.11320300  0.38679700  0.61320300  1.0
  Sb  Sb5  1  0.61320300  0.11320300  0.38679700  1.0
  Sb  Sb6  1  0.38679700  0.61320300  0.11320300  1.0
  Sb  Sb7  1  0.88679700  0.88679700  0.88679700  1.0
  Pt  Pt8  1  0.46686100  0.03313900  0.96686100  1.0
  Pt  Pt9  1  0.96686100  0.46686100  0.03313900  1.0
  Pt  Pt10  1  0.03313900  0.96686100  0.46686100  1.0
  Pt  Pt11  1  0.53313900  0.53313900  0.53313900  1.0

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