Ti5Ga3

Traditional Materials TRA

MP-ID: mp-30674 · Space group: P6_3/mcm (#193)

Materials Project API

Basic Information

Formula

Ti5Ga3

MP-ID

mp-30674

Elements

Sites

Density

5.6512

g/cm³

Volume

263.57

Å³

Cell a

7.5768

Cell b

7.5768

Cell c

5.3015

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P6_3/mcm

Point Group

6/mmm

Crystal System

Hexagonal

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 24)

2θ	d (Å)	I	hkl
13.49	6.5617	12.5	(1,-1,0,0)
13.49	6.5617	25.0	(1,0,-1,0)
23.48	3.7884	4.9	(2,-1,-1,0)
23.48	3.7884	4.9	(1,-2,1,0)
23.48	3.7884	4.9	(1,1,-2,0)
28.97	3.0823	9.0	(2,-1,-1,-1)
28.97	3.0823	18.0	(2,-1,-1,1)
28.97	3.0823	9.0	(1,-2,1,-1)
28.97	3.0823	9.0	(1,1,-2,-1)
28.97	3.0823	9.0	(1,1,-2,1)
33.82	2.6508	80.6	(0,0,0,2)
36.22	2.4801	11.5	(3,-2,-1,0)
36.22	2.4801	11.5	(2,-3,1,0)
36.22	2.4801	11.5	(3,-1,-2,0)
36.22	2.4801	11.5	(1,-3,2,0)
36.22	2.4801	23.0	(2,1,-3,0)
36.56	2.4578	9.5	(1,0,-1,-2)
36.56	2.4578	9.5	(1,0,-1,2)
40.14	2.2464	25.7	(3,-2,-1,-1)
40.14	2.2464	51.5	(3,-2,-1,1)
40.14	2.2464	25.7	(2,-3,1,1)
40.14	2.2464	25.7	(3,-1,-2,-1)
40.14	2.2464	51.5	(3,-1,-2,1)
40.14	2.2464	25.7	(1,-3,2,-1)

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Energy Properties

Formation Energy/atom

-0.40847

eV/atom

Energy/atom

-6.47868

eV/atom

Energy above Hull

0.0172

eV/atom

Uncorrected Energy

-12.8551

eV/atom

Volume/atom

16.47

Å³

c/a Ratio

0.6997

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

3.7829

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.014350

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ti · 0.625

Element Family

N/A

Solute Fraction

0.375

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.833

Family

Ti-based Alloy

Matrix Element

Ti · 0.625

Related Tasks

Related computation task IDs (5)

aaadnfjb aaadtebo aaaekyek aaaetvzo aaafxfyr

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-30674

Reference Citation

The crystal structure and related material properties of Ti5Ga3 were obtained from the Materials Project database (MP-ID: mp-30674, 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_Ti5Ga3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.57679877
_cell_length_b   7.57679627
_cell_length_c   5.30151484
_cell_angle_alpha   90.00000253
_cell_angle_beta   90.00001804
_cell_angle_gamma   120.00012751
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti5Ga3
_chemical_formula_sum   'Ti10 Ga6'
_cell_volume   263.57330246
_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  0.76189536  -0.00001251  0.74999910  1.0
  Ti  Ti1  1  0.76189423  0.76190925  0.25000112  1.0
  Ti  Ti2  1  0.00000738  0.23810332  0.25000130  1.0
  Ti  Ti3  1  0.00000599  0.76190402  0.74999933  1.0
  Ti  Ti4  1  0.23808971  0.23810596  0.74999926  1.0
  Ti  Ti5  1  0.23809057  0.99998704  0.25000075  1.0
  Ti  Ti6  1  0.33333611  0.66666619  0.00000011  1.0
  Ti  Ti7  1  0.66667114  0.33333415  0.50000033  1.0
  Ti  Ti8  1  0.66667062  0.33333395  -0.00000023  1.0
  Ti  Ti9  1  0.33333598  0.66666582  0.49999999  1.0
  Ga  Ga10  1  0.39445359  0.00000314  0.74999531  1.0
  Ga  Ga11  1  0.39445536  0.39444960  0.25000294  1.0
  Ga  Ga12  1  -0.00000663  0.60554754  0.25000149  1.0
  Ga  Ga13  1  -0.00000697  0.39444595  0.74999935  1.0
  Ga  Ga14  1  0.60555524  0.60555246  0.74999880  1.0
  Ga  Ga15  1  0.60555535  0.00000213  0.25000104  1.0

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