FeSbPt

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-623035 · Space group: R3 (#146)

Materials Project API

Basic Information

Formula

FeSbPt

MP-ID

mp-623035

Elements

Sites

Density

10.2309

g/cm³

Volume

241.96

Å³

Cell a

6.2322

Cell b

6.2322

Cell c

6.2322

α Angle

89.04

β Angle

89.04

γ Angle

89.04

Space Group

Point Group

Crystal System

Trigonal

Bravais Lattice

Stability

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
24.33	3.6580	17.9	(1,1,1)
24.89	3.5775	56.6	(1,1,-1)
28.66	3.1152	100.0	(2,0,0)
31.91	2.8049	47.1	(2,1,0)
32.34	2.7681	49.5	(2,0,-1)
34.78	2.5793	15.7	(2,1,1)
35.39	2.5366	33.6	(2,1,-1)
35.59	2.5229	16.6	(2,-1,-1)
40.62	2.2212	34.8	(2,2,0)
41.32	2.1849	31.8	(2,0,-2)
42.90	2.1080	3.4	(2,2,1)
43.58	2.0768	3.4	(3,0,0)
43.91	2.0618	4.1	(2,1,-2)
45.83	1.9801	4.1	(3,1,0)
46.31	1.9606	4.2	(3,0,-1)
47.91	1.8986	40.0	(3,1,1)
48.53	1.8757	67.8	(3,1,-1)
48.84	1.8646	34.2	(3,-1,-1)
49.86	1.8290	5.6	(2,2,2)
51.06	1.7888	18.8	(2,2,-2)
52.55	1.7413	6.3	(3,2,0)
53.43	1.7150	5.5	(3,0,-2)
54.38	1.6872	12.3	(3,2,1)
55.09	1.6671	10.0	(3,2,-1)

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Energy Properties

Formation Energy/atom

0.15507

eV/atom

Energy/atom

-6.06832

eV/atom

Energy above Hull

0.4719

eV/atom

Uncorrected Energy

-6.0683

eV/atom

Volume/atom

20.16

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

12.0000

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.049600

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 (5)

aaadnbfw aaadsrty aaadwwfj aaaerhbr aaafiekr

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-623035

Reference Citation

The crystal structure and related material properties of FeSbPt were obtained from the Materials Project database (MP-ID: mp-623035, 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   6.23219398
_cell_length_b   6.23219398
_cell_length_c   6.23219415
_cell_angle_alpha   89.03850975
_cell_angle_beta   89.03850975
_cell_angle_gamma   89.03850769
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeSbPt
_chemical_formula_sum   'Fe4 Sb4 Pt4'
_cell_volume   241.95881073
_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  0.38359100  0.38359100  0.38359100  1.0
  Fe  Fe1  1  0.62083200  0.87503200  0.12349000  1.0
  Fe  Fe2  1  0.87503200  0.12349000  0.62083200  1.0
  Fe  Fe3  1  0.12349000  0.62083200  0.87503200  1.0
  Sb  Sb4  1  0.87588700  0.37544900  0.12685000  1.0
  Sb  Sb5  1  0.37544900  0.12685000  0.87588700  1.0
  Sb  Sb6  1  0.61276600  0.61276600  0.61276600  1.0
  Sb  Sb7  1  0.12685000  0.87588700  0.37544900  1.0
  Pt  Pt8  1  0.52107900  0.02830700  0.47700500  1.0
  Pt  Pt9  1  0.02830700  0.47700500  0.52107900  1.0
  Pt  Pt10  1  0.97921400  0.97921400  0.97921400  1.0
  Pt  Pt11  1  0.47700500  0.52107900  0.02830700  1.0

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