Ti2Co

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-30566 · Space group: Fd-3m (#227)

Materials Project API

Basic Information

Formula

Ti2Co

MP-ID

mp-30566

Elements

Sites

Density

5.7856

g/cm³

Volume

88.78

Å³

Cell a

5.0074

Cell b

5.0074

Cell c

5.0074

α Angle

60.00

β Angle

60.00

γ Angle

60.00

Space Group

Fd-3m

Point Group

m-3m

Crystal System

Cubic

Bravais Lattice

Stability

Packing Fraction

0.7405

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 8)

2θ	d (Å)	I	hkl
35.87	2.5037	38.1	(2,1,1)
42.33	2.1352	100.0	(2,2,1)
44.31	2.0443	30.7	(2,2,2)
51.63	1.7704	1.5	(2,2,0)
64.46	1.4455	12.1	(3,3,2)
68.90	1.3629	27.4	(3,3,3)
76.02	1.2519	22.2	(4,2,2)
87.02	1.1197	5.0	(4,3,1)

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Energy Properties

Formation Energy/atom

0.45323

eV/atom

Energy/atom

-12.58336

eV/atom

Energy above Hull

0.7246

eV/atom

Uncorrected Energy

-7.1934

eV/atom

Volume/atom

14.80

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

2.3952

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.026980

μB/Å³

Elastic Properties

K_VRH

96.827

GPa

G_VRH

24.714

GPa

Young's Modulus E

68.329

GPa

Poisson Ratio ν

0.382

Pugh Ratio K/G

3.918

Vickers Hardness Est.

0.000

GPa

Ductility

Brittle

Anisotropy

0.005

Lame λ

80.351

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ti · 0.667

Element Family

N/A

Solute Fraction

0.333

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.668

Family

Ti-based Alloy

Matrix Element

Ti · 0.667

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.0050

Homogeneous Poisson ν

0.3820

Debye Temperature

283.0

Sound Velocity

2,334.0

m/s

Homogeneity

0.3820

Related Tasks

Related computation task IDs (5)

aaadmvij aaadsrrx aaaerdzk aaafafom aaafikav

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-30566

Reference Citation

The crystal structure and related material properties of Ti2Co were obtained from the Materials Project database (MP-ID: mp-30566, 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_Ti2Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.00741768
_cell_length_b   5.00741768
_cell_length_c   5.00741768
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2Co
_chemical_formula_sum   'Ti4 Co2'
_cell_volume   88.78231359
_cell_formula_units_Z   2
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
  Ti  Ti0  1  0.87500000  0.87500000  0.87500000  1.0
  Ti  Ti1  1  0.87500000  0.87500000  0.37500000  1.0
  Ti  Ti2  1  0.87500000  0.37500000  0.87500000  1.0
  Ti  Ti3  1  0.37500000  0.87500000  0.87500000  1.0
  Co  Co4  1  0.50000000  0.50000000  0.50000000  1.0
  Co  Co5  1  0.25000000  0.25000000  0.25000000  1.0

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