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Ho2Co7B3

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-976597 · Space group: P6/mmm (#191)

Basic Information

Formula
Ho2Co7B3
MP-ID
mp-976597
Elements
3
Sites
24
Density
9.2889
g/cm³
Volume
277.03
ų
Cell a
4.9985
Å
Cell b
4.9994
Å
Cell c
12.8023
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.01
°
Space Group
P6/mmm
Point Group
6/mmm
Crystal System
Hexagonal
Bravais Lattice
Hexagonal P
Stability
No
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
20.51 4.3295 33.1 (1,-1,0,0)
20.52 4.3291 33.1 (0,1,-1,0)
20.52 4.3283 33.1 (1,0,-1,0)
27.88 3.2006 4.6 (0,0,0,4)
34.86 2.5737 56.9 (1,-1,0,-4)
34.86 2.5737 56.9 (1,-1,0,4)
34.86 2.5736 56.9 (0,1,-1,4)
34.86 2.5736 56.9 (0,1,-1,-4)
34.86 2.5734 56.9 (1,0,-1,-4)
34.86 2.5734 56.9 (1,0,-1,4)
35.05 2.5605 12.1 (0,0,0,5)
35.93 2.4997 29.2 (1,-2,1,0)
35.93 2.4992 29.2 (2,-1,-1,0)
35.94 2.4990 29.2 (1,1,-2,0)
38.67 2.3285 1.5 (1,-2,1,-2)
38.67 2.3284 1.5 (1,-2,1,2)
38.68 2.3281 1.5 (2,-1,-1,-2)
38.68 2.3281 1.5 (2,-1,-1,2)
38.68 2.3279 1.5 (1,1,-2,-2)
38.68 2.3279 1.5 (1,1,-2,2)
40.95 2.2039 4.7 (1,-1,0,-5)
40.95 2.2039 4.7 (1,-1,0,5)
40.95 2.2038 4.7 (0,1,-1,5)
40.95 2.2038 4.7 (0,1,-1,-5)
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Energy Properties

Formation Energy/atom
-0.39526
eV/atom
Energy/atom
-6.99254
eV/atom
Energy above Hull
0.0037
eV/atom
Uncorrected Energy
-6.9925
eV/atom
Volume/atom
11.54
ų
c/a Ratio
2.5612

Electronic Properties

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

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
7.2699
μB
Mag. Ordering
FiM
Mag. Sites
17
Magnetization/Volume
0.026240
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Co · 0.583
Element Family
3d-TM
Solute Fraction
0.417
Interstitial Fraction
0.250

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.9596
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
7.9782
J/mol·K
Ω Parameter
0.5798
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
21.579%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.2686
smaller = more stable mixing
VEC
7.833
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-26.250
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8735
SS Former
0
Phase Tendency
AM

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.696
Family
Co-based Alloy
Matrix Element
Co · 0.583

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-976597
Reference Citation

The crystal structure and related material properties of Ho2Co7B3 were obtained from the Materials Project database (MP-ID: mp-976597, 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_Ho2Co7B3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99846306
_cell_length_b   4.99937755
_cell_length_c   12.80229100
_cell_angle_alpha   89.99959742
_cell_angle_beta   90.00045500
_cell_angle_gamma   120.01164450
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho2Co7B3
_chemical_formula_sum   'Ho4 Co14 B6'
_cell_volume   277.02551917
_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
  Ho  Ho0  1  0.99998000  0.00007500  0.50001000  1.0
  Ho  Ho1  1  0.00004300  0.99993400  0.26066800  1.0
  Ho  Ho2  1  0.99997000  0.99999700  0.73937000  1.0
  Ho  Ho3  1  0.99998700  0.99997800  0.99998800  1.0
  Co  Co4  1  0.33329200  0.66671900  0.99999800  1.0
  Co  Co5  1  0.66668400  0.33326800  0.99999800  1.0
  Co  Co6  1  0.50000200  0.00000100  0.38371400  1.0
  Co  Co7  1  0.99998600  0.49999900  0.38373100  1.0
  Co  Co8  1  0.50000900  0.50001200  0.38373000  1.0
  Co  Co9  1  0.49999700  0.00001000  0.61630800  1.0
  Co  Co10  1  0.49998600  0.50001100  0.61622200  1.0
  Co  Co11  1  0.99999600  0.50003600  0.61625100  1.0
  Co  Co12  1  0.50003600  0.00005500  0.15392700  1.0
  Co  Co13  1  0.99996000  0.49993500  0.15398700  1.0
  Co  Co14  1  0.50002800  0.49995900  0.15390400  1.0
  Co  Co15  1  0.50000000  0.00004100  0.84603800  1.0
  Co  Co16  1  0.50000000  0.49996900  0.84606100  1.0
  Co  Co17  1  0.99995200  0.49998800  0.84606900  1.0
  B  B18  1  0.33342700  0.66664800  0.26797300  1.0
  B  B19  1  0.66658900  0.33331900  0.26798300  1.0
  B  B20  1  0.66684100  0.33338400  0.73202300  1.0
  B  B21  1  0.33314500  0.66661100  0.73203500  1.0
  B  B22  1  0.33334200  0.66667100  0.50000500  1.0
  B  B23  1  0.66664600  0.33338200  0.50000600  1.0
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