Ga4Ni3

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-30655 · Space group: Ia-3d (#230)

Materials Project API

Basic Information

Formula

Ga4Ni3

MP-ID

mp-30655

Elements

Sites

Density

7.9904

g/cm³

Volume

756.41

Å³

Cell a

9.9417

Cell b

9.9417

Cell c

9.9417

α Angle

109.47

β Angle

109.47

γ Angle

109.47

Space Group

Ia-3d

Point Group

m-3m

Crystal System

Cubic

Bravais Lattice

Stability

Packing Fraction

0.6802

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 15)

2θ	d (Å)	I	hkl
18.94	4.6866	6.5	(1,1,0)
29.11	3.0681	8.1	(2,1,0)
31.16	2.8699	5.6	(2,2,-2)
43.16	2.0959	7.6	(3,2,-1)
44.65	2.0293	100.0	(4,0,0)
48.91	1.8622	4.2	(3,2,0)
55.45	1.6569	1.5	(2,2,2)
59.14	1.5622	1.6	(4,1,1)
64.99	1.4350	14.6	(4,4,-4)
68.37	1.3721	2.2	(4,2,1)
73.83	1.2835	1.9	(6,2,-2)
77.04	1.2379	2.8	(3,3,2)
81.25	1.1840	1.5	(5,2,1)
82.29	1.1716	27.6	(4,4,0)
89.55	1.0945	2.6	(4,3,2)

Get direct link

Energy Properties

Formation Energy/atom

-0.40694

eV/atom

Energy/atom

-12.08069

eV/atom

Energy above Hull

0.0097

eV/atom

Uncorrected Energy

-4.6034

eV/atom

Volume/atom

13.51

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0049

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000010

μB/Å³

Elastic Properties

K_VRH

135.145

GPa

G_VRH

66.100

GPa

Young's Modulus E

170.502

GPa

Poisson Ratio ν

0.290

Pugh Ratio K/G

2.045

Vickers Hardness Est.

7.057

GPa

Ductility

Brittle

Anisotropy

0.239

Lame λ

91.078

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ga · 0.571

Element Family

N/A

Solute Fraction

0.429

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.647

Family

Binary Alloy

Matrix Element

Ga · 0.571

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.2390

Homogeneous Poisson ν

0.2900

Debye Temperature

401.0

Sound Velocity

3,208.5

m/s

Homogeneity

0.2900

Related Tasks

Related computation task IDs (3)

aaacbpfu aaadrrao aaaeciep

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-30655

Reference Citation

The crystal structure and related material properties of Ga4Ni3 were obtained from the Materials Project database (MP-ID: mp-30655, 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…

Style: Ball & Stick | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_Ga4Ni3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.94166679
_cell_length_b   9.94166679
_cell_length_c   9.94166679
_cell_angle_alpha   109.47122063
_cell_angle_beta   109.47122063
_cell_angle_gamma   109.47122063
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga4Ni3
_chemical_formula_sum   'Ga32 Ni24'
_cell_volume   756.40731280
_cell_formula_units_Z   8
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
  Ga  Ga0  1  0.50000000  0.00000000  0.00000000  1.0
  Ga  Ga1  1  0.50000000  0.50000000  0.00000000  1.0
  Ga  Ga2  1  0.00000000  0.50000000  0.50000000  1.0
  Ga  Ga3  1  0.00000000  0.00000000  0.00000000  1.0
  Ga  Ga4  1  0.00000000  0.00000000  0.50000000  1.0
  Ga  Ga5  1  0.50000000  0.50000000  0.50000000  1.0
  Ga  Ga6  1  0.00000000  0.50000000  0.00000000  1.0
  Ga  Ga7  1  0.50000000  0.00000000  0.50000000  1.0
  Ga  Ga8  1  0.26230400  0.75000000  0.01230400  1.0
  Ga  Ga9  1  0.25000000  0.26230400  0.01230400  1.0
  Ga  Ga10  1  0.75000000  0.23769600  0.48769600  1.0
  Ga  Ga11  1  0.26230400  0.01230400  0.25000000  1.0
  Ga  Ga12  1  0.23769600  0.48769600  0.75000000  1.0
  Ga  Ga13  1  0.01230400  0.25000000  0.26230400  1.0
  Ga  Ga14  1  0.01230400  0.26230400  0.75000000  1.0
  Ga  Ga15  1  0.25000000  0.48769600  0.23769600  1.0
  Ga  Ga16  1  0.48769600  0.23769600  0.25000000  1.0
  Ga  Ga17  1  0.75000000  0.01230400  0.26230400  1.0
  Ga  Ga18  1  0.23769600  0.25000000  0.48769600  1.0
  Ga  Ga19  1  0.48769600  0.75000000  0.23769600  1.0
  Ga  Ga20  1  0.73769600  0.25000000  0.98769600  1.0
  Ga  Ga21  1  0.75000000  0.73769600  0.98769600  1.0
  Ga  Ga22  1  0.25000000  0.76230400  0.51230400  1.0
  Ga  Ga23  1  0.73769600  0.98769600  0.75000000  1.0
  Ga  Ga24  1  0.76230400  0.51230400  0.25000000  1.0
  Ga  Ga25  1  0.98769600  0.75000000  0.73769600  1.0
  Ga  Ga26  1  0.98769600  0.73769600  0.25000000  1.0
  Ga  Ga27  1  0.75000000  0.51230400  0.76230400  1.0
  Ga  Ga28  1  0.51230400  0.76230400  0.75000000  1.0
  Ga  Ga29  1  0.25000000  0.98769600  0.73769600  1.0
  Ga  Ga30  1  0.76230400  0.75000000  0.51230400  1.0
  Ga  Ga31  1  0.51230400  0.25000000  0.76230400  1.0
  Ni  Ni32  1  0.74190500  0.48380900  0.49190500  1.0
  Ni  Ni33  1  0.25000000  0.74190500  0.75809500  1.0
  Ni  Ni34  1  0.48380900  0.49190500  0.74190500  1.0
  Ni  Ni35  1  0.00809500  0.49190500  0.25000000  1.0
  Ni  Ni36  1  0.49190500  0.74190500  0.48380900  1.0
  Ni  Ni37  1  0.75809500  0.25000000  0.74190500  1.0
  Ni  Ni38  1  0.49190500  0.25000000  0.00809500  1.0
  Ni  Ni39  1  0.75809500  0.00809500  0.01619100  1.0
  Ni  Ni40  1  0.25000000  0.00809500  0.49190500  1.0
  Ni  Ni41  1  0.01619100  0.75809500  0.00809500  1.0
  Ni  Ni42  1  0.74190500  0.75809500  0.25000000  1.0
  Ni  Ni43  1  0.00809500  0.01619100  0.75809500  1.0
  Ni  Ni44  1  0.25809500  0.51619100  0.50809500  1.0
  Ni  Ni45  1  0.75000000  0.25809500  0.24190500  1.0
  Ni  Ni46  1  0.51619100  0.50809500  0.25809500  1.0
  Ni  Ni47  1  0.99190500  0.50809500  0.75000000  1.0
  Ni  Ni48  1  0.50809500  0.25809500  0.51619100  1.0
  Ni  Ni49  1  0.24190500  0.75000000  0.25809500  1.0
  Ni  Ni50  1  0.50809500  0.75000000  0.99190500  1.0
  Ni  Ni51  1  0.24190500  0.99190500  0.98380900  1.0
  Ni  Ni52  1  0.75000000  0.99190500  0.50809500  1.0
  Ni  Ni53  1  0.98380900  0.24190500  0.99190500  1.0
  Ni  Ni54  1  0.25809500  0.24190500  0.75000000  1.0
  Ni  Ni55  1  0.99190500  0.98380900  0.24190500  1.0

Get direct link