Gd2(Ga3Co)3

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-866782 · Space group: Cmcm (#63)

Materials Project API

Basic Information

Formula

Gd2(Ga3Co)3

MP-ID

mp-866782

Elements

Sites

Density

8.5408

g/cm³

Volume

435.05

Å³

Cell a

7.2944

Cell b

7.2944

Cell c

9.4128

α Angle

90.00

β Angle

90.00

γ Angle

119.70

Space Group

Cmcm

Point Group

mmm

Crystal System

Orthorhombic

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
14.04	6.3075	1.1	(1,-1,0,0)
16.87	5.2563	1.8	(1,0,-1,1)
23.59	3.7721	1.1	(1,-1,0,2)
24.29	3.6638	1.1	(1,1,-2,0)
24.41	3.6471	2.1	(2,-1,-1,0)
26.10	3.4143	6.0	(1,1,-2,1)
26.20	3.4008	12.8	(2,-1,-1,1)
28.17	3.1681	2.6	(2,0,-2,0)
28.30	3.1538	6.1	(2,-2,0,0)
29.75	3.0026	12.7	(2,0,-2,1)
30.93	2.8911	1.4	(1,1,-2,2)
31.02	2.8829	2.7	(2,-1,-1,2)
31.83	2.8118	1.3	(1,0,-1,3)
34.12	2.6281	3.9	(2,0,-2,2)
34.23	2.6199	9.7	(2,-2,0,2)
37.51	2.3980	8.1	(2,1,-3,0)
37.71	2.3856	6.5	(3,-2,-1,0)
37.75	2.3831	49.0	(1,1,-2,3)
37.82	2.3785	100.0	(2,-1,-1,3)
38.25	2.3532	26.4	(0,0,0,4)
38.75	2.3238	5.1	(2,1,-3,1)
38.87	2.3167	18.9	(3,-1,-2,1)
38.95	2.3125	2.6	(3,-2,-1,1)
40.46	2.2293	6.5	(2,0,-2,3)

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Energy Properties

Formation Energy/atom

-0.47951

eV/atom

Energy/atom

-5.96561

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-16.8409

eV/atom

Volume/atom

15.54

Å³

c/a Ratio

1.2904

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

28.9994

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.066660

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ga · 0.643

Element Family

PostTransition-Noble

Solute Fraction

0.357

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.8921

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.4171

J/mol·K

Ω Parameter

0.4620

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

12.276%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2214

smaller = more stable mixing

VEC

4.286

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-12.842

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8120

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.609

Family

Ga-rich Multi-Component

Matrix Element

Ga · 0.643

Related Tasks

Related computation task IDs (2)

aaadwchy aaafzzjf

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-866782

Reference Citation

The crystal structure and related material properties of Gd2(Ga3Co)3 were obtained from the Materials Project database (MP-ID: mp-866782, 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_Gd2(Ga3Co)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.29437957
_cell_length_b   7.29437957
_cell_length_c   9.41279741
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.69871471
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Gd2(Ga3Co)3
_chemical_formula_sum   'Gd4 Ga18 Co6'
_cell_volume   435.04738943
_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
  Gd  Gd0  1  0.00263884  0.33152504  0.25000000  1.0
  Gd  Gd1  1  0.99736116  0.66847496  0.75000000  1.0
  Gd  Gd2  1  0.66847496  0.99736116  0.75000000  1.0
  Gd  Gd3  1  0.33152504  0.00263884  0.25000000  1.0
  Ga  Ga4  1  0.66407727  0.45255530  0.25000000  1.0
  Ga  Ga5  1  0.33592273  0.54744470  0.75000000  1.0
  Ga  Ga6  1  0.54744470  0.33592273  0.75000000  1.0
  Ga  Ga7  1  0.45255530  0.66407727  0.25000000  1.0
  Ga  Ga8  1  0.12376667  0.12376667  0.75000000  1.0
  Ga  Ga9  1  0.87623333  0.87623333  0.25000000  1.0
  Ga  Ga10  1  0.66431272  0.66431272  0.55635475  1.0
  Ga  Ga11  1  0.33568728  0.33568728  0.05635475  1.0
  Ga  Ga12  1  0.33568728  0.33568728  0.44364525  1.0
  Ga  Ga13  1  0.66431272  0.66431272  0.94364525  1.0
  Ga  Ga14  1  0.00265546  0.33434351  0.56984034  1.0
  Ga  Ga15  1  0.99734454  0.66565649  0.06984034  1.0
  Ga  Ga16  1  0.66565649  0.99734454  0.43015966  1.0
  Ga  Ga17  1  0.33434351  0.00265546  0.93015966  1.0
  Ga  Ga18  1  0.99734454  0.66565649  0.43015966  1.0
  Ga  Ga19  1  0.00265546  0.33434351  0.93015966  1.0
  Ga  Ga20  1  0.33434351  0.00265546  0.56984034  1.0
  Ga  Ga21  1  0.66565649  0.99734454  0.06984034  1.0
  Co  Co22  1  -0.00000000  -0.00000000  0.50000000  1.0
  Co  Co23  1  -0.00000000  -0.00000000  0.00000000  1.0
  Co  Co24  1  0.67082084  0.32917916  0.50000000  1.0
  Co  Co25  1  0.32917916  0.67082084  0.00000000  1.0
  Co  Co26  1  0.32917916  0.67082084  0.50000000  1.0
  Co  Co27  1  0.67082084  0.32917916  0.00000000  1.0

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