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Gd(CoB)2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-610530 · Space group: I4/mmm (#139)

Basic Information

Formula
Gd(CoB)2
MP-ID
mp-610530
Elements
3
Sites
5
Density
8.2117
g/cm³
Volume
60.01
ų
Cell a
3.5429
Å
Cell b
3.5429
Å
Cell c
5.3977
Å
α Angle
109.17
°
β Angle
109.17
°
γ Angle
89.99
°
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
18.56 4.7806 2.9 (0,0,1)
26.83 3.3223 70.9 (0,1,-1)
26.84 3.3222 70.9 (1,0,-1)
26.84 3.3221 70.8 (1,0,0)
26.84 3.3219 70.8 (0,1,0)
35.84 2.5054 3.4 (1,1,-1)
35.85 2.5049 3.4 (1,-1,0)
37.63 2.3903 100.0 (0,0,2)
37.97 2.3696 39.2 (0,1,-2)
37.97 2.3695 39.2 (1,0,-2)
37.98 2.3694 39.2 (1,0,1)
37.98 2.3692 39.2 (0,1,1)
40.65 2.2193 83.0 (1,1,-2)
40.66 2.2190 83.0 (1,1,0)
40.66 2.2189 83.0 (1,-1,1)
40.66 2.2187 83.0 (1,-1,-1)
51.60 1.7714 46.8 (0,2,-1)
51.60 1.7714 46.8 (2,0,-1)
54.53 1.6829 11.0 (0,1,-3)
54.53 1.6828 11.0 (1,0,-3)
54.53 1.6827 11.0 (1,0,2)
54.54 1.6827 11.0 (0,1,2)
59.10 1.5633 8.2 (1,2,-2)
59.10 1.5632 8.2 (2,1,-2)
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Energy Properties

Formation Energy/atom
-0.52863
eV/atom
Energy/atom
-8.86898
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-17.4008
eV/atom
Volume/atom
12.00
ų
c/a Ratio
1.5236

Electronic Properties

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

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
7.0842
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.118060
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
0.400

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
0.3778
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
27.012%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3123
smaller = more stable mixing
VEC
5.400
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-45.589
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-610530
Reference Citation

The crystal structure and related material properties of Gd(CoB)2 were obtained from the Materials Project database (MP-ID: mp-610530, 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(CoB)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.54284630
_cell_length_b   3.54285437
_cell_length_c   5.39771633
_cell_angle_alpha   109.17096870
_cell_angle_beta   109.16519066
_cell_angle_gamma   89.98925252
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Gd(CoB)2
_chemical_formula_sum   'Gd1 Co2 B2'
_cell_volume   60.00556312
_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  0.00444993  0.99281881  0.99945993  1.0
  Co  Co1  1  0.25435374  0.74274446  0.49941229  1.0
  Co  Co2  1  0.75423197  0.24279320  0.49942682  1.0
  B  B3  1  0.34671150  0.33514826  0.68412958  1.0
  B  B4  1  0.66200486  0.65048227  0.31478138  1.0
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