GaCo3

Traditional Materials TRA

MP-ID: mp-1184009 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

GaCo3

MP-ID

mp-1184009

Elements

Sites

Density

8.8922

g/cm³

Volume

92.07

Å³

Cell a

5.0857

Cell b

5.0857

Cell c

4.1105

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 9)

2θ	d (Å)	I	hkl
40.98	2.2022	24.9	(2,0,-2,0)
44.06	2.0553	26.8	(0,0,0,2)
46.80	1.9412	100.0	(2,0,-2,1)
61.74	1.5025	9.1	(2,0,-2,2)
61.74	1.5025	4.6	(2,-2,0,2)
74.65	1.2714	5.0	(2,2,-4,0)
74.65	1.2714	10.0	(4,-2,-2,0)
83.01	1.1634	16.7	(2,0,-2,3)
88.88	1.1011	1.6	(4,0,-4,0)

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Energy Properties

Formation Energy/atom

-0.04611

eV/atom

Energy/atom

-12.83248

eV/atom

Energy above Hull

0.0517

eV/atom

Uncorrected Energy

-6.1776

eV/atom

Volume/atom

11.51

Å³

c/a Ratio

0.8083

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

7.6342

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.082920

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Co · 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

0.852

Family

Co-based Alloy

Matrix Element

Co · 0.750

Related Tasks

Related computation task IDs (5)

aaadodyt aaadvqzn aaaegcjg aaaespjn aaafbjga

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1184009

Reference Citation

The crystal structure and related material properties of GaCo3 were obtained from the Materials Project database (MP-ID: mp-1184009, 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_GaCo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08567993
_cell_length_b   5.08567993
_cell_length_c   4.11054300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999915
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaCo3
_chemical_formula_sum   'Ga2 Co6'
_cell_volume   92.07206426
_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  0.33333300  0.66666700  0.75000000  1.0
  Ga  Ga1  1  0.66666700  0.33333300  0.25000000  1.0
  Co  Co2  1  0.16569600  0.33139100  0.25000000  1.0
  Co  Co3  1  0.66860900  0.83430400  0.25000000  1.0
  Co  Co4  1  0.16569600  0.83430400  0.25000000  1.0
  Co  Co5  1  0.83430400  0.66860900  0.75000000  1.0
  Co  Co6  1  0.33139100  0.16569600  0.75000000  1.0
  Co  Co7  1  0.83430400  0.16569600  0.75000000  1.0

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