GdGa2Co

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-648086 · Space group: Cmmm (#65)

Materials Project API

Basic Information

Formula

GdGa2Co

MP-ID

mp-648086

Elements

Sites

Density

8.1825

g/cm³

Volume

144.34

Å³

Cell a

4.0407

Cell b

4.0668

Cell c

9.0150

α Angle

103.00

β Angle

90.00

γ Angle

90.00

Space Group

Cmmm

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
10.07	8.7838	6.8	(0,0,1)
20.22	4.3919	12.9	(0,0,2)
22.00	4.0407	1.5	(1,0,0)
22.44	3.9625	1.9	(0,1,0)
22.44	3.9616	2.0	(0,1,-1)
26.68	3.3412	29.5	(0,1,1)
26.69	3.3395	29.1	(0,1,-2)
30.05	2.9736	57.0	(1,0,2)
30.05	2.9736	57.0	(1,0,-2)
30.53	2.9279	26.5	(0,0,3)
31.62	2.8292	18.9	(1,1,0)
31.63	2.8291	18.9	(1,-1,0)
31.63	2.8289	19.1	(1,1,-1)
31.63	2.8287	19.1	(1,-1,1)
33.70	2.6594	7.1	(0,1,2)
33.72	2.6580	7.3	(0,1,-3)
34.84	2.5750	97.1	(1,1,1)
34.84	2.5748	97.0	(1,-1,-1)
34.85	2.5742	96.8	(1,1,-2)
34.85	2.5741	96.8	(1,-1,2)
37.95	2.3709	27.4	(1,0,3)
37.95	2.3709	27.4	(1,0,-3)
40.61	2.2215	6.2	(1,1,2)
40.61	2.2214	6.2	(1,-1,-2)

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Energy Properties

Formation Energy/atom

-0.53377

eV/atom

Energy/atom

-7.35021

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-20.3826

eV/atom

Volume/atom

18.04

Å³

c/a Ratio

2.2311

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

1.1852

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.008210

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ga · 0.500

Element Family

PostTransition-Noble

Solute Fraction

0.500

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0397

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.6442

J/mol·K

Ω Parameter

0.4444

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

14.834%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2757

smaller = more stable mixing

VEC

4.500

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-19.252

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9464

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.509

Family

Ga-rich Multi-Component

Matrix Element

Ga · 0.500

Related Tasks

Related computation task IDs (5)

aaadndzc aaadrdtp aaaekuhy aaaeuatn aaafivtq

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-648086

Reference Citation

The crystal structure and related material properties of GdGa2Co were obtained from the Materials Project database (MP-ID: mp-648086, 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_GdGa2Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.04066547
_cell_length_b   4.06682650
_cell_length_c   9.01497446
_cell_angle_alpha   103.00465308
_cell_angle_beta   90.00028521
_cell_angle_gamma   89.99656301
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GdGa2Co
_chemical_formula_sum   'Gd2 Ga4 Co2'
_cell_volume   144.34070743
_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  0.00200686  0.14347436  0.28450260  1.0
  Gd  Gd1  1  0.00195883  0.85759452  0.71460937  1.0
  Ga  Ga2  1  0.50208834  0.29255990  0.58347768  1.0
  Ga  Ga3  1  0.50197650  0.70851110  0.41535132  1.0
  Ga  Ga4  1  0.00173355  0.50190580  0.00034934  1.0
  Ga  Ga5  1  0.50225489  0.00257682  0.00036830  1.0
  Co  Co6  1  0.50168090  0.42951951  0.85382673  1.0
  Co  Co7  1  0.50176214  0.57536899  0.14669266  1.0

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