V3Pt

Traditional Materials TRA

MP-ID: mp-636331 · Space group: Pm-3m (#221)

Materials Project API

Basic Information

Formula

V3Pt

MP-ID

mp-636331

Elements

Sites

Density

10.2441

g/cm³

Volume

56.39

Å³

Cell a

3.8348

Cell b

3.8348

Cell c

3.8348

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

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
23.19	3.8348	53.9	(1,0,0)
33.03	2.7116	45.4	(1,1,0)
40.75	2.2140	100.0	(1,1,1)
47.41	1.9174	47.9	(2,0,0)
53.43	1.7150	25.0	(2,1,0)
59.00	1.5656	18.8	(2,1,1)
69.31	1.3558	29.5	(2,2,0)
74.18	1.2783	12.4	(3,0,0)
78.95	1.2127	8.5	(3,1,0)
83.63	1.1563	35.2	(3,1,1)
88.28	1.1070	10.4	(2,2,2)

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Energy Properties

Formation Energy/atom

-0.23656

eV/atom

Energy/atom

-8.56728

eV/atom

Energy above Hull

0.1906

eV/atom

Uncorrected Energy

-8.5673

eV/atom

Volume/atom

14.10

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.4456

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.007900

μB/Å³

Elastic Properties

K_VRH

209.896

GPa

G_VRH

543.330

GPa

Young's Modulus E

874.995

GPa

Poisson Ratio ν

-0.195

Pugh Ratio K/G

0.386

Vickers Hardness Est.

GPa

Ductility

Ductile

Anisotropy

-4.942

Lame λ

-152.324

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

V · 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

0.759

Family

Binary Alloy

Matrix Element

V · 0.750

Related Tasks

Related computation task IDs (5)

aaadmowm aaadsrzx aaadxkvl aaaeupdw aaafiifd

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-636331

Reference Citation

The crystal structure and related material properties of V3Pt were obtained from the Materials Project database (MP-ID: mp-636331, 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_V3Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.83483100
_cell_length_b   3.83483100
_cell_length_c   3.83483100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V3Pt
_chemical_formula_sum   'V3 Pt1'
_cell_volume   56.39475164
_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
  V  V0  1  0.50000000  0.50000000  0.00000000  1.0
  V  V1  1  0.50000000  0.00000000  0.50000000  1.0
  V  V2  1  0.00000000  0.50000000  0.50000000  1.0
  Pt  Pt3  1  0.00000000  0.00000000  0.00000000  1.0

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