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Gd3Co11B4

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-605854 · Space group: P6/mmm (#191)

Basic Information

Formula
Gd3Co11B4
MP-ID
mp-605854
Elements
3
Sites
18
Density
8.9945
g/cm³
Volume
214.76
ų
Cell a
5.0443
Å
Cell b
5.0675
Å
Cell c
9.6864
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
119.85
°
Space Group
P6/mmm
Point Group
6/mmm
Crystal System
Hexagonal
Bravais Lattice
Hexagonal P
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
18.32 4.8432 1.0 (0,0,2)
20.20 4.3953 23.3 (0,1,0)
20.30 4.3752 22.8 (1,0,0)
20.30 4.3752 22.8 (1,-1,0)
22.21 4.0025 2.2 (0,1,1)
22.30 3.9873 2.1 (1,0,1)
22.30 3.9873 2.1 (1,-1,1)
27.63 3.2288 4.6 (0,0,3)
34.47 2.6021 100.0 (0,1,3)
34.52 2.5979 98.4 (1,0,3)
34.52 2.5979 98.4 (1,-1,3)
35.43 2.5337 29.5 (1,1,0)
35.43 2.5337 29.5 (1,-2,0)
35.60 2.5222 29.1 (2,-1,0)
36.66 2.4513 3.5 (1,1,1)
36.66 2.4513 3.5 (1,-2,1)
36.82 2.4408 3.4 (2,-1,1)
37.13 2.4216 15.4 (0,0,4)
40.17 2.2451 8.2 (1,1,2)
40.17 2.2451 8.2 (1,-2,2)
40.32 2.2370 8.0 (2,-1,2)
41.07 2.1977 92.2 (0,2,0)
41.27 2.1876 91.2 (2,0,0)
41.27 2.1876 91.2 (2,-2,0)
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Energy Properties

Formation Energy/atom
-0.32778
eV/atom
Energy/atom
-8.51742
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-17.2273
eV/atom
Volume/atom
11.93
ų
c/a Ratio
1.9203

Electronic Properties

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

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
10.9915
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.051180
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Co · 0.611
Element Family
3d-TM
Solute Fraction
0.389
Interstitial Fraction
0.222

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.9338
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
7.7638
J/mol·K
Ω Parameter
0.3735
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
22.019%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.2770
smaller = more stable mixing
VEC
6.667
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-38.799
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8500
SS Former
0
Phase Tendency
AM

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.749
Family
Co-based Alloy
Matrix Element
Co · 0.611

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-605854
Reference Citation

The crystal structure and related material properties of Gd3Co11B4 were obtained from the Materials Project database (MP-ID: mp-605854, 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_Gd3Co11B4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04431151
_cell_length_b   5.06753570
_cell_length_c   9.68635527
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.84846186
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Gd3Co11B4
_chemical_formula_sum   'Gd3 Co11 B4'
_cell_volume   214.75875864
_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  0.65552297  1.0
  Gd  Gd1  1  0.00000000  0.00000000  0.34447703  1.0
  Gd  Gd2  1  0.00000000  0.00000000  -0.00000000  1.0
  Co  Co3  1  0.00000000  0.50000000  0.79987793  1.0
  Co  Co4  1  0.50000000  0.50000000  0.79987493  1.0
  Co  Co5  1  0.50000000  0.00000000  0.20094908  1.0
  Co  Co6  1  0.66622504  0.33245007  -0.00000000  1.0
  Co  Co7  1  0.00000000  0.50000000  0.20012207  1.0
  Co  Co8  1  0.50000000  0.00000000  0.79905092  1.0
  Co  Co9  1  0.50000000  0.50000000  0.20012507  1.0
  Co  Co10  1  0.50000000  0.50000000  0.50000000  1.0
  Co  Co11  1  0.33377496  0.66754993  -0.00000000  1.0
  Co  Co12  1  0.50000000  0.00000000  0.50000000  1.0
  Co  Co13  1  0.00000000  0.50000000  0.50000000  1.0
  B  B14  1  0.66656910  0.33314120  0.64765349  1.0
  B  B15  1  0.33343090  0.66685880  0.35234651  1.0
  B  B16  1  0.33343090  0.66685880  0.64765349  1.0
  B  B17  1  0.66656910  0.33314120  0.35234651  1.0
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