Ga3Ge

Traditional Materials TRA

MP-ID: mp-1184355 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

Ga3Ge

MP-ID

mp-1184355

Elements

Sites

Density

5.9838

g/cm³

Volume

156.41

Å³

Cell a

6.1812

Cell b

6.1812

Cell c

4.7270

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

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 13)

2θ	d (Å)	I	hkl
33.48	2.6765	37.2	(2,0,-2,0)
38.07	2.3635	34.8	(0,0,0,2)
38.66	2.3291	100.0	(2,0,-2,1)
38.66	2.3291	50.0	(2,-2,0,1)
51.59	1.7716	21.3	(2,0,-2,2)
59.85	1.5453	26.8	(4,-2,-2,0)
69.19	1.3579	25.7	(2,0,-2,3)
70.35	1.3383	2.7	(4,0,-4,0)
70.35	1.3383	1.4	(4,-4,0,0)
73.18	1.2934	28.9	(4,-2,-2,2)
73.55	1.2877	21.4	(4,0,-4,1)
81.44	1.1818	3.6	(0,0,0,4)
82.90	1.1645	5.1	(4,0,-4,2)

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Energy Properties

Formation Energy/atom

0.09579

eV/atom

Energy/atom

-11.95428

eV/atom

Energy above Hull

0.0958

eV/atom

Uncorrected Energy

-3.3310

eV/atom

Volume/atom

19.55

Å³

c/a Ratio

0.7648

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0029

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000020

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ga · 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

0.658

Family

Binary Alloy

Matrix Element

Ga · 0.750

Related Tasks

Related computation task IDs (5)

aaadbwwz aaadoesl aaadvstu aaaeqefj aaafbdtk

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1184355

Reference Citation

The crystal structure and related material properties of Ga3Ge were obtained from the Materials Project database (MP-ID: mp-1184355, 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_Ga3Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.18115949
_cell_length_b   6.18115949
_cell_length_c   4.72703700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999458
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga3Ge
_chemical_formula_sum   'Ga6 Ge2'
_cell_volume   156.40821400
_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
  Ga  Ga0  1  0.16636800  0.33273500  0.25000000  1.0
  Ga  Ga1  1  0.66726500  0.83363200  0.25000000  1.0
  Ga  Ga2  1  0.16636800  0.83363200  0.25000000  1.0
  Ga  Ga3  1  0.83363200  0.66726500  0.75000000  1.0
  Ga  Ga4  1  0.33273500  0.16636800  0.75000000  1.0
  Ga  Ga5  1  0.83363200  0.16636800  0.75000000  1.0
  Ge  Ge6  1  0.33333300  0.66666700  0.75000000  1.0
  Ge  Ge7  1  0.66666700  0.33333300  0.25000000  1.0

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