Co3Ni

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-1008349 · Space group: Pm-3m (#221)

Materials Project API

Basic Information

Formula

Co3Ni

MP-ID

mp-1008349

Elements

Sites

Density

9.1479

g/cm³

Volume

42.75

Å³

Cell a

3.4958

Cell b

3.4966

Cell c

3.4972

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 7)

2θ	d (Å)	I	hkl
44.90	2.0187	100.0	(1,1,1)
52.32	1.7486	15.4	(0,0,2)
52.33	1.7483	15.4	(0,2,0)
52.34	1.7479	15.4	(2,0,0)
77.15	1.2363	8.8	(0,2,2)
77.16	1.2362	8.8	(2,0,2)
77.17	1.2361	8.8	(2,2,0)

Get direct link

Energy Properties

Formation Energy/atom

-0.00756

eV/atom

Energy/atom

-12.92867

eV/atom

Energy above Hull

0.0157

eV/atom

Uncorrected Energy

-12.9287

eV/atom

Volume/atom

10.69

Å³

c/a Ratio

1.0004

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

6.2386

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.145940

μB/Å³

Elastic Properties

K_VRH

258.138

GPa

G_VRH

102.210

GPa

Young's Modulus E

270.878

GPa

Poisson Ratio ν

0.325

Pugh Ratio K/G

2.526

Vickers Hardness Est.

7.135

GPa

Ductility

Brittle

Anisotropy

1.009

Lame λ

189.998

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Co · 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

0.921

Family

Co-based Alloy

Matrix Element

Co · 0.750

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

1.0090

Homogeneous Poisson ν

0.3250

Debye Temperature

506.2

Sound Velocity

3,745.7

m/s

Homogeneity

0.3250

Related Tasks

Related computation task IDs (5)

aaacirpl aaadunus aaaemnxn aaaetqlm aaafiudq

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1008349

Reference Citation

The crystal structure and related material properties of Co3Ni were obtained from the Materials Project database (MP-ID: mp-1008349, 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…

Style: Ball & Stick | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_Co3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.49575341
_cell_length_b   3.49663048
_cell_length_c   3.49717273
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co3Ni
_chemical_formula_sum   'Co3 Ni1'
_cell_volume   42.74719400
_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
  Co  Co0  1  0.50000000  0.50000000  0.00000000  1.0
  Co  Co1  1  0.50000000  0.00000000  0.50000000  1.0
  Co  Co2  1  -0.00000000  0.50000000  0.50000000  1.0
  Ni  Ni3  1  -0.00000000  0.00000000  0.00000000  1.0

Get direct link