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Gd(CoGe)2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-542988 · Space group: I4/mmm (#139)

Basic Information

Formula
Gd(CoGe)2
MP-ID
mp-542988
Elements
3
Sites
5
Density
8.8651
g/cm³
Volume
78.74
ų
Cell a
3.9504
Å
Cell b
3.9504
Å
Cell c
5.7676
Å
α Angle
110.03
°
β Angle
110.03
°
γ Angle
90.00
°
Space Group
I4/mmm
Point Group
4/mmm
Crystal System
Tetragonal
Bravais Lattice
Tetragonal I
Stability
Yes
Packing Fraction
0.7400

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
24.19 3.6786 14.0 (1,0,-1)
32.04 2.7933 43.3 (1,1,-1)
35.04 2.5612 76.8 (1,0,-2)
35.04 2.5612 76.8 (1,0,1)
35.58 2.5230 8.4 (0,0,2)
36.78 2.4439 100.0 (1,1,-2)
36.78 2.4439 33.3 (1,-1,1)
45.95 1.9752 89.1 (2,0,-1)
48.63 1.8723 2.7 (1,1,-3)
48.63 1.8723 8.2 (1,-1,2)
50.80 1.7974 43.0 (1,0,-3)
52.59 1.7402 2.3 (2,1,-2)
52.59 1.7402 1.4 (2,-1,0)
59.06 1.5641 25.2 (2,1,-3)
59.06 1.5641 42.0 (2,1,0)
59.43 1.5553 3.6 (2,0,-3)
59.43 1.5553 3.6 (2,0,1)
64.69 1.4409 23.6 (1,1,-4)
64.69 1.4409 7.9 (1,-1,3)
67.00 1.3967 13.9 (2,2,-2)
67.00 1.3967 13.9 (2,-2,0)
70.89 1.3294 3.9 (2,1,-4)
70.89 1.3294 11.8 (1,2,-4)
70.89 1.3294 15.7 (2,1,1)
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Energy Properties

Formation Energy/atom
-0.59975
eV/atom
Energy/atom
-8.11755
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-20.0595
eV/atom
Volume/atom
15.75
ų
c/a Ratio
1.4600

Electronic Properties

Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
7.3144
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.092890
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Co · 0.400
Element Family
3d-TM
Solute Fraction
0.600
Interstitial Fraction
0.000

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0549
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.7706
J/mol·K
Ω Parameter
0.7146
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
16.176%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3036
smaller = more stable mixing
VEC
5.800
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-18.517
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9602
SS Former
0
Phase Tendency
AM

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.633
Family
Co-rich Multi-Component
Matrix Element
Co · 0.400

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-542988
Reference Citation

The crystal structure and related material properties of Gd(CoGe)2 were obtained from the Materials Project database (MP-ID: mp-542988, 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

BibTeX
@article{Horton2025,
  author  = {Horton, Matthew K. and Huck, Patrick and Yang, Ruo Xi and Munro, Jason M. and Dwaraknath, Shyam and Ganose, Alex M. and Kingsbury, Ryan S. and Wen, Mingjian and Shen, Jimmy X. and Mathis, Tyler S. and Kaplan, Aaron D. and Berket, Karlo and Riebesell, Janosh and George, Janine and Rosen, Andrew S. and Spotte-Smith, Evan W. C. and McDermott, Matthew J. and Cohen, Orion A. and Dunn, Alex and Kuner, Matthew C. and Rignanese, Gian-Marco and Petretto, Guido and Waroquiers, David and Griffin, Sinead M. and Neaton, Jeffrey B. and Chrzan, Daryl C. and Asta, Mark and Hautier, Geoffroy and Cholia, Shreyas and Ceder, Gerbrand and Ong, Shyue Ping and Jain, Anubhav and Persson, Kristin A.},
  title   = {Accelerated data-driven materials science with the Materials Project},
  journal = {Nature Materials},
  year    = {2025},
  volume  = {24},
  number  = {10},
  pages   = {1522--1532},
  month   = {oct},
  doi     = {10.1038/s41563-025-02272-0},
  issn    = {1476-4660},
  url     = {https://doi.org/10.1038/s41563-025-02272-0},
  abstract = {The Materials Project was launched formally in 2011 to drive materials discovery forwards through high-throughput computation and open data. More than a decade later, the Materials Project has become an indispensable tool used by more than 600,000 materials researchers around the world. This Perspective describes how the Materials Project, as a data platform and a software ecosystem, has helped to shape research in data-driven materials science. We cover how sustainable software and computational methods have accelerated materials design while becoming more open source and collaborative in nature. Next, we present cases where the Materials Project was used to understand and discover functional materials. We then describe our efforts to meet the needs of an expanding user base, through technical infrastructure updates ranging from data architecture and cloud resources to interactive web applications. Finally, we discuss opportunities to better aid the research community, with the vision that more accessible and easy-to-understand materials data will result in democratized materials knowledge and an increasingly collaborative community.}
}

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data
# generated using pymatgen
data_Gd(CoGe)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.95038028
_cell_length_b   3.95038019
_cell_length_c   5.76754519
_cell_angle_alpha   110.02721498
_cell_angle_beta   110.02722074
_cell_angle_gamma   89.99998865
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Gd(CoGe)2
_chemical_formula_sum   'Gd1 Co2 Ge2'
_cell_volume   78.74491562
_cell_formula_units_Z   1
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  -0.00000000  -0.00000000  0.00000000  1.0
  Co  Co1  1  0.75000000  0.25000000  0.50000000  1.0
  Co  Co2  1  0.25000000  0.75000000  0.50000000  1.0
  Ge  Ge3  1  0.37005327  0.37005327  0.74010554  1.0
  Ge  Ge4  1  0.62994673  0.62994673  0.25989446  1.0
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