FeSbPt

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-988256 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

FeSbPt

MP-ID

mp-988256

Elements

Sites

Density

11.1259

g/cm³

Volume

222.50

Å³

Cell a

5.0457

Cell b

7.1357

Cell c

7.1357

α Angle

120.00

β Angle

90.00

γ Angle

90.00

Space Group

Point Group

Crystal System

Triclinic

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
22.75	3.9084	50.6	(1,1,-2,-1)
24.96	3.5678	34.7	(0,2,-2,-1)
28.90	3.0898	100.0	(0,2,-2,-2)
30.69	2.9131	58.7	(1,2,-3,-1)
34.02	2.6350	32.7	(1,2,-3,-2)
35.59	2.5228	20.5	(2,0,-2,0)
38.54	2.3357	48.6	(0,3,-3,-2)
42.66	2.1196	85.1	(1,3,-4,-2)
42.66	2.1196	19.0	(1,1,-2,-3)
43.96	2.0599	13.2	(0,3,-3,-3)
46.47	1.9542	51.3	(2,2,-4,-2)
47.69	1.9071	6.9	(1,3,-4,-3)
51.21	1.7839	16.6	(0,4,-4,-2)
53.46	1.7139	5.2	(0,4,-4,-3)
53.46	1.7139	13.2	(2,2,-4,-3)
54.56	1.6819	10.2	(1,4,-5,-2)
56.72	1.6229	56.2	(1,-4,3,3)
57.78	1.5956	3.2	(2,3,-5,-3)
57.78	1.5956	2.3	(2,0,-2,3)
59.87	1.5449	11.8	(0,4,-4,-4)
60.89	1.5213	19.4	(3,2,-5,-1)
62.92	1.4772	7.2	(1,4,-5,-4)
63.91	1.4566	15.3	(2,4,-6,-2)
65.88	1.4177	6.2	(0,5,-5,-3)

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Energy Properties

Formation Energy/atom

1.23263

eV/atom

Energy/atom

-4.99076

eV/atom

Energy above Hull

1.5494

eV/atom

Uncorrected Energy

-4.9908

eV/atom

Volume/atom

18.54

Å³

c/a Ratio

1.4142

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

10.5855

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.047580

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 (1)

aaacefxw

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-988256

Reference Citation

The crystal structure and related material properties of FeSbPt were obtained from the Materials Project database (MP-ID: mp-988256, 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   5.04569000
_cell_length_b   7.13568400
_cell_length_c   7.13568347
_cell_angle_alpha   120.00000248
_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   222.49608389
_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  0.61640900  0.00000000  1.0
  Fe  Fe1  1  0.62083200  0.12496800  0.24845800  1.0
  Fe  Fe2  1  0.87503200  0.87651000  0.49734200  1.0
  Fe  Fe3  1  0.12349000  0.37916800  0.25420000  1.0
  Sb  Sb4  1  0.87588700  0.62455100  0.75140100  1.0
  Sb  Sb5  1  0.37544900  0.87315000  0.74903700  1.0
  Sb  Sb6  1  0.61276600  0.38723400  0.00000000  1.0
  Sb  Sb7  1  0.12685000  0.12411300  0.49956200  1.0
  Pt  Pt8  1  0.52107900  0.97169300  0.44869700  1.0
  Pt  Pt9  1  0.02830700  0.52299500  0.04407400  1.0
  Pt  Pt10  1  0.97921400  0.02078600  0.00000000  1.0
  Pt  Pt11  1  0.47700500  0.47892100  0.50722800  1.0

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