Ti5Ga4

Traditional Materials TRA

MP-ID: mp-30675 · Space group: P6_3/mcm (#193)

Materials Project API

Basic Information

Formula

Ti5Ga4

MP-ID

mp-30675

Elements

Sites

Density

5.9745

g/cm³

Volume

288.07

Å³

Cell a

7.8341

Cell b

7.8341

Cell c

5.4199

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
13.05	6.7845	3.1	(1,0,-1,0)
26.27	3.3923	6.5	(2,0,-2,0)
28.11	3.1747	9.2	(2,-1,-1,1)
33.06	2.7100	10.1	(0,0,0,2)
35.68	2.5166	1.2	(1,0,-1,2)
38.85	2.3180	30.0	(3,-1,-2,1)
38.85	2.3180	15.0	(2,1,-3,1)
39.86	2.2615	88.9	(3,0,-3,0)
40.48	2.2286	100.0	(2,-1,-1,2)
48.90	1.8626	2.8	(3,-1,-2,2)
49.48	1.8420	1.7	(4,-2,-2,1)
51.40	1.7776	18.1	(4,-1,-3,1)
52.72	1.7363	2.6	(3,0,-3,2)
52.72	1.7363	1.3	(0,3,-3,2)
56.06	1.6406	1.6	(2,-1,-1,3)
58.11	1.5874	23.6	(4,-2,-2,2)
59.38	1.5565	1.4	(5,-2,-3,0)
59.84	1.5456	1.0	(4,-1,-3,2)
59.84	1.5456	1.0	(3,1,-4,2)
62.04	1.4960	4.7	(5,-2,-3,1)
62.76	1.4805	1.4	(5,-1,-4,0)
62.93	1.4769	10.0	(3,-1,-2,3)
69.24	1.3569	3.4	(5,0,-5,0)
69.35	1.3550	7.8	(0,0,0,4)

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Energy Properties

Formation Energy/atom

-0.43971

eV/atom

Energy/atom

-6.17192

eV/atom

Energy above Hull

0.0115

eV/atom

Uncorrected Energy

-12.7702

eV/atom

Volume/atom

16.00

Å³

c/a Ratio

0.6918

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

5.0369

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.017490

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ti · 0.556

Element Family

N/A

Solute Fraction

0.444

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.803

Family

Ti-based Alloy

Matrix Element

Ti · 0.556

Related Tasks

Related computation task IDs (5)

aaadpevu aaadrcsx aaaelcbe aaaetbba aaafwuod

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-30675

Reference Citation

The crystal structure and related material properties of Ti5Ga4 were obtained from the Materials Project database (MP-ID: mp-30675, 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_Ti5Ga4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.83408465
_cell_length_b   7.83408449
_cell_length_c   5.41989970
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000493
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti5Ga4
_chemical_formula_sum   'Ti10 Ga8'
_cell_volume   288.07022442
_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  0.33333300  0.66666700  0.00000000  1.0
  Ti  Ti1  1  0.66666700  0.33333300  0.50000000  1.0
  Ti  Ti2  1  0.66666700  0.33333300  0.00000000  1.0
  Ti  Ti3  1  0.33333300  0.66666700  0.50000000  1.0
  Ti  Ti4  1  0.28044907  0.00000000  0.25000200  1.0
  Ti  Ti5  1  0.28044907  0.28044907  0.74999800  1.0
  Ti  Ti6  1  -0.00000000  0.71955093  0.74999800  1.0
  Ti  Ti7  1  0.00000000  0.28044907  0.25000200  1.0
  Ti  Ti8  1  0.71955093  0.71955093  0.25000200  1.0
  Ti  Ti9  1  0.71955093  -0.00000000  0.74999800  1.0
  Ga  Ga10  1  0.00000000  -0.00000000  0.00000000  1.0
  Ga  Ga11  1  0.00000000  -0.00000000  0.50000000  1.0
  Ga  Ga12  1  0.61968799  -0.00000000  0.25000100  1.0
  Ga  Ga13  1  0.61968799  0.61968799  0.74999900  1.0
  Ga  Ga14  1  0.00000000  0.38031201  0.74999900  1.0
  Ga  Ga15  1  -0.00000000  0.61968799  0.25000100  1.0
  Ga  Ga16  1  0.38031201  0.38031201  0.25000100  1.0
  Ga  Ga17  1  0.38031201  0.00000000  0.74999900  1.0

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