Hf2Ga

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-30572 · Space group: I4/mcm (#140)

Materials Project API

Basic Information

Formula

Hf2Ga

MP-ID

mp-30572

Elements

Sites

Density

12.1256

g/cm³

Volume

116.87

Å³

Cell a

5.2409

Cell b

5.4006

Cell c

5.4006

α Angle

76.38

β Angle

60.97

γ Angle

60.97

Space Group

I4/mcm

Point Group

4/mmm

Crystal System

Tetragonal

Bravais Lattice

Stability

Yes

Packing Fraction

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
18.79	4.7223	6.5	(0,1,0)
26.70	3.3391	4.3	(0,1,1)
34.22	2.6204	36.1	(2,1,1)
34.57	2.5949	66.7	(1,2,0)
34.57	2.5949	100.0	(1,1,2)
34.57	2.5949	100.0	(1,-1,1)
38.11	2.3611	4.8	(0,2,0)
38.11	2.3611	4.8	(0,0,2)
39.32	2.2913	11.3	(2,2,1)
39.32	2.2913	11.3	(2,1,2)
39.32	2.2913	22.6	(2,1,0)
42.82	2.1119	72.4	(0,2,1)
43.92	2.0615	18.2	(2,2,2)
43.92	2.0614	9.1	(2,0,2)
43.92	2.0614	9.1	(2,0,0)
52.39	1.7464	1.8	(1,3,0)
52.39	1.7464	3.7	(1,1,3)
52.39	1.7464	1.8	(1,0,-2)
55.00	1.6696	4.6	(0,2,-2)
55.00	1.6696	4.6	(0,2,2)
55.92	1.6443	3.5	(2,3,2)
55.92	1.6443	5.2	(2,2,3)
55.92	1.6443	1.7	(2,-1,2)
55.92	1.6443	3.5	(2,0,-1)

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Energy Properties

Formation Energy/atom

-0.46835

eV/atom

Energy/atom

-34.38355

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-34.3836

eV/atom

Volume/atom

19.48

Å³

c/a Ratio

1.0305

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

119.010

GPa

G_VRH

63.266

GPa

Young's Modulus E

161.228

GPa

Poisson Ratio ν

0.274

Pugh Ratio K/G

1.881

Vickers Hardness Est.

7.806

GPa

Ductility

Brittle

Anisotropy

0.361

Lame λ

76.833

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Hf · 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

0.703

Family

Binary Alloy

Matrix Element

Hf · 0.667

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.3610

Homogeneous Poisson ν

0.2740

Debye Temperature

281.3

Sound Velocity

2,543.2

m/s

Homogeneity

0.2740

Related Tasks

Related computation task IDs (5)

aaacjagi aaadszjx aaaemrgf aaaeukvx aaafsrha

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-30572

Reference Citation

The crystal structure and related material properties of Hf2Ga were obtained from the Materials Project database (MP-ID: mp-30572, 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_Hf2Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24085844
_cell_length_b   5.40059004
_cell_length_c   5.40058878
_cell_angle_alpha   76.38299525
_cell_angle_beta   60.97364222
_cell_angle_gamma   60.97363510
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2Ga
_chemical_formula_sum   'Hf4 Ga2'
_cell_volume   116.86961913
_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
  Hf  Hf0  1  0.15353924  0.50000000  0.19292352  1.0
  Hf  Hf1  1  0.34646076  0.80707648  0.50000000  1.0
  Hf  Hf2  1  0.65353924  0.19292352  0.50000000  1.0
  Hf  Hf3  1  0.84646076  0.50000000  0.80707648  1.0
  Ga  Ga4  1  0.25000000  0.00000000  -0.00000000  1.0
  Ga  Ga5  1  0.75000000  0.00000000  -0.00000000  1.0

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