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Cr2(Co7B2)3

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-542727 · Space group: Fm-3m (#225)

Basic Information

Formula
Cr2(Co7B2)3
MP-ID
mp-542727
Elements
3
Sites
29
Density
8.3329
g/cm³
Volume
280.27
ų
Cell a
7.3457
Å
Cell b
7.3457
Å
Cell c
7.3457
Å
α Angle
60.00
°
β Angle
60.00
°
γ Angle
60.00
°
Space Group
Fm-3m
Point Group
m-3m
Crystal System
Cubic
Bravais Lattice
Cubic F
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 21)
2θd (Å)Ihkl
14.77 5.9977 1.6 (1,1,1)
28.50 3.1322 2.0 (2,2,1)
29.79 2.9989 2.8 (2,2,2)
34.54 2.5971 6.8 (2,2,0)
37.75 2.3833 1.6 (3,2,2)
38.77 2.3229 18.5 (3,2,1)
42.64 2.1205 26.7 (3,1,0)
45.36 1.9992 100.0 (3,3,3)
49.64 1.8364 20.2 (4,2,2)
52.08 1.7560 26.3 (4,3,2)
52.88 1.7314 15.1 (4,1,1)
55.98 1.6425 1.9 (4,3,1)
58.24 1.5842 3.3 (4,4,3)
58.98 1.5661 6.1 (4,4,2)
72.84 1.2985 4.1 (4,4,0)
75.46 1.2598 4.7 (5,5,4)
78.06 1.2243 19.2 (5,3,0)
79.98 1.1995 12.9 (6,4,3)
83.17 1.1615 6.6 (6,4,2)
85.08 1.1403 7.1 (6,5,4)
85.71 1.1335 1.0 (6,3,1)
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Energy Properties

Formation Energy/atom
-0.12457
eV/atom
Energy/atom
-12.26745
eV/atom
Energy above Hull
0.0142
eV/atom
Uncorrected Energy
-7.3649
eV/atom
Volume/atom
9.66
ų
c/a Ratio
-

Electronic Properties

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

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
19.8387
μB
Mag. Ordering
FM
Mag. Sites
23
Magnetization/Volume
0.070780
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Co · 0.724
Element Family
3d-TM
Solute Fraction
0.276
Interstitial Fraction
0.207

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.7441
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
6.1867
J/mol·K
Ω Parameter
0.3872
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
12.125%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.0912
smaller = more stable mixing
VEC
7.552
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-30.621
kJ/mol; negative = exothermic mixing
Entropy Norm
0.6773
SS Former
0
Phase Tendency
AM

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.871
Family
Co-based Alloy
Matrix Element
Co · 0.724

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-542727
Reference Citation

The crystal structure and related material properties of Cr2(Co7B2)3 were obtained from the Materials Project database (MP-ID: mp-542727, 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_Cr2(Co7B2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.34566990
_cell_length_b   7.34566990
_cell_length_c   7.34566990
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2(Co7B2)3
_chemical_formula_sum   'Cr2 Co21 B6'
_cell_volume   280.27168649
_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
  Cr  Cr0  1  0.75000000  0.75000000  0.75000000  1.0
  Cr  Cr1  1  0.25000000  0.25000000  0.25000000  1.0
  Co  Co2  1  0.00000000  0.00000000  0.00000000  1.0
  Co  Co3  1  0.62050700  0.62050700  0.13848000  1.0
  Co  Co4  1  0.62050700  0.13848000  0.62050700  1.0
  Co  Co5  1  0.13848000  0.62050700  0.62050700  1.0
  Co  Co6  1  0.62050700  0.62050700  0.62050700  1.0
  Co  Co7  1  0.37949300  0.37949300  0.86152000  1.0
  Co  Co8  1  0.37949300  0.86152000  0.37949300  1.0
  Co  Co9  1  0.86152000  0.37949300  0.37949300  1.0
  Co  Co10  1  0.37949300  0.37949300  0.37949300  1.0
  Co  Co11  1  0.00000000  0.00000000  0.33874200  1.0
  Co  Co12  1  0.66125800  0.00000000  0.33874200  1.0
  Co  Co13  1  0.00000000  0.66125800  0.33874200  1.0
  Co  Co14  1  0.66125800  0.33874200  0.00000000  1.0
  Co  Co15  1  0.00000000  0.33874200  0.00000000  1.0
  Co  Co16  1  0.00000000  0.33874200  0.66125800  1.0
  Co  Co17  1  0.33874200  0.66125800  0.00000000  1.0
  Co  Co18  1  0.33874200  0.00000000  0.66125800  1.0
  Co  Co19  1  0.33874200  0.00000000  0.00000000  1.0
  Co  Co20  1  0.00000000  0.00000000  0.66125800  1.0
  Co  Co21  1  0.00000000  0.66125800  0.00000000  1.0
  Co  Co22  1  0.66125800  0.00000000  0.00000000  1.0
  B  B23  1  0.72476800  0.72476800  0.27523200  1.0
  B  B24  1  0.27523200  0.72476800  0.27523200  1.0
  B  B25  1  0.72476800  0.27523200  0.27523200  1.0
  B  B26  1  0.27523200  0.27523200  0.72476800  1.0
  B  B27  1  0.72476800  0.27523200  0.72476800  1.0
  B  B28  1  0.27523200  0.72476800  0.72476800  1.0
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