FePt3

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-649 · Space group: Pm-3m (#221)

Materials Project API

Basic Information

Formula

FePt3

MP-ID

mp-649

Elements

Sites

Density

18.0714

g/cm³

Volume

58.91

Å³

Cell a

3.8910

Cell b

3.8910

Cell c

3.8910

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

Pm-3m

Point Group

m-3m

Crystal System

Cubic

Bravais Lattice

Stability

Yes

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 11)

2θ	d (Å)	I	hkl
22.86	3.8910	13.5	(1,0,0)
32.54	2.7514	11.4	(1,1,0)
40.14	2.2465	100.0	(1,1,1)
46.69	1.9455	48.9	(2,0,0)
52.59	1.7401	6.3	(2,1,0)
58.07	1.5885	4.8	(2,1,1)
68.17	1.3757	31.7	(2,2,0)
72.94	1.2970	3.2	(2,2,1)
77.59	1.2304	2.2	(3,1,0)
82.16	1.1732	38.3	(3,1,1)
86.68	1.1232	11.4	(2,2,2)

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Energy Properties

Formation Energy/atom

-0.17369

eV/atom

Energy/atom

-6.84454

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-42.5177

eV/atom

Volume/atom

14.73

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

4.8586

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.082480

μB/Å³

Elastic Properties

K_VRH

263.838

GPa

G_VRH

110.344

GPa

Young's Modulus E

290.530

GPa

Poisson Ratio ν

0.316

Pugh Ratio K/G

2.391

Vickers Hardness Est.

8.300

GPa

Ductility

Brittle

Anisotropy

0.196

Lame λ

190.275

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Pt · 0.750

Element Family

N/A

Solute Fraction

0.250

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.641

Family

Binary Alloy

Matrix Element

Pt · 0.750

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.1960

Homogeneous Poisson ν

0.3160

Debye Temperature

335.9

Sound Velocity

2,765.9

m/s

Homogeneity

0.3160

Related Tasks

Related computation task IDs (5)

aaadmswk aaadscar aaaeuooj aaaevvao aaafiicf

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-649

Reference Citation

The crystal structure and related material properties of FePt3 were obtained from the Materials Project database (MP-ID: mp-649, 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_FePt3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.89099168
_cell_length_b   3.89099168
_cell_length_c   3.89099168
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FePt3
_chemical_formula_sum   'Fe1 Pt3'
_cell_volume   58.90889908
_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
  Fe  Fe0  1  0.00000000  -0.00000000  0.00000000  1.0
  Pt  Pt1  1  -0.00000000  0.50000000  0.50000000  1.0
  Pt  Pt2  1  0.50000000  0.50000000  -0.00000000  1.0
  Pt  Pt3  1  0.50000000  -0.00000000  0.50000000  1.0

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