Ti3Ga

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-998988 · Space group: Fm-3m (#225)

Materials Project API

Basic Information

Formula

Ti3Ga

MP-ID

mp-998988

Elements

Sites

Density

5.4166

g/cm³

Volume

65.40

Å³

Cell a

4.5223

Cell b

4.5223

Cell c

4.5223

α Angle

60.00

β Angle

60.00

γ Angle

60.00

Space Group

Fm-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 7)

2θ	d (Å)	I	hkl
24.10	3.6924	3.4	(1,1,1)
27.90	3.1977	1.8	(1,1,0)
39.87	2.2612	100.0	(2,1,1)
47.13	1.9283	2.0	(2,2,1)
57.65	1.5989	15.6	(2,2,0)
72.39	1.3055	30.0	(3,3,2)
85.98	1.1306	9.3	(4,2,2)

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Energy Properties

Formation Energy/atom

-0.19213

eV/atom

Energy/atom

-6.87077

eV/atom

Energy above Hull

0.1293

eV/atom

Uncorrected Energy

-6.8708

eV/atom

Volume/atom

16.35

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

1.7340

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.026520

μB/Å³

Elastic Properties

K_VRH

109.768

GPa

G_VRH

29.881

GPa

Young's Modulus E

82.185

GPa

Poisson Ratio ν

0.375

Pugh Ratio K/G

3.674

Vickers Hardness Est.

0.184

GPa

Ductility

Brittle

Anisotropy

6.115

Lame λ

89.847

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ti · 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

0.800

Family

Ti-based Alloy

Matrix Element

Ti · 0.750

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

6.1150

Homogeneous Poisson ν

0.3750

Debye Temperature

310.7

Sound Velocity

2,649.8

m/s

Homogeneity

0.3750

Related Tasks

Related computation task IDs (5)

aaacipmi aaadwoys aaadydef aaaetsvk aaafsjbm

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-998988

Reference Citation

The crystal structure and related material properties of Ti3Ga were obtained from the Materials Project database (MP-ID: mp-998988, 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_Ti3Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.52229011
_cell_length_b   4.52229011
_cell_length_c   4.52229011
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3Ga
_chemical_formula_sum   'Ti3 Ga1'
_cell_volume   65.39736635
_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
  Ti  Ti0  1  0.75000000  0.75000000  0.75000000  1.0
  Ti  Ti1  1  0.00000000  0.00000000  0.00000000  1.0
  Ti  Ti2  1  0.25000000  0.25000000  0.25000000  1.0
  Ga  Ga3  1  0.50000000  0.50000000  0.50000000  1.0

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