Ti3Ga

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-30672 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

Ti3Ga

MP-ID

mp-30672

Elements

Sites

Density

5.4765

g/cm³

Volume

129.37

Å³

Cell a

5.6869

Cell b

5.6869

Cell c

4.6189

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P6_3/mmc

Point Group

6/mmm

Crystal System

Hexagonal

Bravais Lattice

Stability

Yes

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 22)

2θ	d (Å)	I	hkl
18.01	4.9250	2.2	(1,0,-1,0)
18.01	4.9250	1.1	(0,1,-1,0)
26.46	3.3691	3.7	(1,0,-1,1)
31.46	2.8434	1.4	(1,1,-2,0)
36.49	2.4625	16.4	(2,0,-2,0)
36.49	2.4625	8.2	(0,2,-2,0)
39.00	2.3095	27.0	(0,0,0,2)
41.56	2.1730	100.0	(2,0,-2,1)
50.94	1.7927	1.3	(2,-1,-1,2)
53.04	1.7265	1.6	(2,1,-3,1)
54.47	1.6845	9.5	(2,0,-2,2)
54.47	1.6845	4.7	(0,2,-2,2)
65.67	1.4217	5.1	(4,-2,-2,0)
65.67	1.4217	10.2	(2,2,-4,0)
72.39	1.3055	11.3	(2,0,-2,3)
72.39	1.3055	5.7	(0,2,-2,3)
77.53	1.2312	1.5	(4,0,-4,0)
79.10	1.2107	5.8	(4,-2,-2,2)
79.10	1.2107	11.5	(2,2,-4,2)
80.78	1.1897	8.1	(4,0,-4,1)
80.78	1.1897	4.1	(0,4,-4,1)
83.77	1.1547	2.5	(0,0,0,4)

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Energy Properties

Formation Energy/atom

-0.32138

eV/atom

Energy/atom

-7.00003

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-12.9098

eV/atom

Volume/atom

16.17

Å³

c/a Ratio

0.8122

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

K_VRH

118.806

GPa

G_VRH

55.181

GPa

Young's Modulus E

143.349

GPa

Poisson Ratio ν

0.299

Pugh Ratio K/G

2.153

Vickers Hardness Est.

5.517

GPa

Ductility

Brittle

Anisotropy

0.285

Lame λ

82.019

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

0.886

Family

Ti-based Alloy

Matrix Element

Ti · 0.750

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.2850

Homogeneous Poisson ν

0.2990

Debye Temperature

417.3

Sound Velocity

3,545.1

m/s

Homogeneity

0.2990

Related Tasks

Related computation task IDs (5)

aaadmwgq aaadsnah aaaeljso aaaeusse aaafijnh

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-30672

Reference Citation

The crystal structure and related material properties of Ti3Ga were obtained from the Materials Project database (MP-ID: mp-30672, 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   5.68686926
_cell_length_b   5.68686834
_cell_length_c   4.61893144
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000538
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3Ga
_chemical_formula_sum   'Ti6 Ga2'
_cell_volume   129.36552090
_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  0.17059792  0.34119383  0.75000000  1.0
  Ti  Ti1  1  0.82940208  0.17059792  0.25000000  1.0
  Ti  Ti2  1  0.82940208  0.65880617  0.25000000  1.0
  Ti  Ti3  1  0.17059792  0.82940208  0.75000000  1.0
  Ti  Ti4  1  0.65880617  0.82940208  0.75000000  1.0
  Ti  Ti5  1  0.34119383  0.17059792  0.25000000  1.0
  Ga  Ga6  1  0.66666700  0.33333300  0.75000000  1.0
  Ga  Ga7  1  0.33333300  0.66666700  0.25000000  1.0

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