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Be15Nb6Co5Cu3

High-Entropy Materials HEA

MP-ID: mp-3297388 · Space group: Cm (#8)

Basic Information

Formula
Be15Nb6Co5Cu3
MP-ID
mp-3297388
Elements
4
Sites
29
Density
6.3597
g/cm³
Volume
307.56
ų
Cell a
7.5730
Å
Cell b
7.5778
Å
Cell c
7.5846
Å
α Angle
59.97
°
β Angle
59.95
°
γ Angle
59.99
°
Space Group
Cm
Point Group
m
Crystal System
Monoclinic
Bravais Lattice
Monoclinic C
Stability
Yes
Packing Fraction
0.5240

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
14.31 6.1892 2.5 (0,0,1)
14.32 6.1861 2.6 (0,1,0)
14.33 6.1810 4.4 (1,0,0)
16.54 5.3595 100.0 (1,0,1)
16.56 5.3537 50.0 (1,1,0)
23.46 3.7923 3.9 (1,1,2)
23.48 3.7889 13.6 (0,1,-1)
23.49 3.7871 13.8 (1,-1,0)
23.49 3.7865 20.1 (1,0,-1)
27.59 3.2331 6.7 (1,0,2)
27.59 3.2331 6.7 (1,2,2)
27.60 3.2324 7.5 (0,1,2)
27.60 3.2324 7.5 (2,1,2)
27.61 3.2311 6.0 (1,-1,1)
27.61 3.2311 6.0 (0,2,1)
27.62 3.2298 4.8 (1,2,0)
27.62 3.2296 8.5 (1,-1,-1)
27.62 3.2295 16.6 (1,1,-1)
27.64 3.2275 3.8 (2,1,0)
28.85 3.0946 61.4 (0,0,2)
28.85 3.0946 61.4 (2,2,2)
28.87 3.0931 70.8 (0,2,0)
28.89 3.0905 78.8 (2,0,0)
36.52 2.4605 63.3 (1,1,3)
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Energy Properties

Formation Energy/atom
-0.25601
eV/atom
Energy/atom
-11.02102
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-11.0210
eV/atom
Volume/atom
10.61
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
0.0066
μB
Mag. Ordering
FM
Mag. Sites
2
Magnetization/Volume
0.000020
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Be · 0.517
Element Family
Alkali-AlkEarth
Solute Fraction
0.483
Interstitial Fraction
0.000

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.2047
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
10.0161
J/mol·K
Ω Parameter
0.9494
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
10.771%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.1386
smaller = more stable mixing
VEC
4.759
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-19.213
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8690
SS Former
0
Phase Tendency
AM

Related Tasks

Related computation task IDs (1)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-3297388
Reference Citation

The crystal structure and related material properties of Be15Nb6Co5Cu3 were obtained from the Materials Project database (MP-ID: mp-3297388, 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_Be15Nb6Co5Cu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.57299472
_cell_length_b   7.57776214
_cell_length_c   7.58460723
_cell_angle_alpha   59.97012281
_cell_angle_beta   59.94927088
_cell_angle_gamma   59.98999919
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be15Nb6Co5Cu3
_chemical_formula_sum   'Be15 Nb6 Co5 Cu3'
_cell_volume   307.55944179
_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
  Be  Be0  1  0.32344984  0.32974190  0.32717367  1.0
  Be  Be1  1  0.67496671  0.67513300  0.66774346  1.0
  Be  Be2  1  0.32344984  0.32974190  0.01963659  1.0
  Be  Be3  1  0.31965741  0.02279491  0.32877434  1.0
  Be  Be4  1  0.67496671  0.67513300  0.98215583  1.0
  Be  Be5  1  0.67855099  0.97411228  0.67366786  1.0
  Be  Be6  1  0.02967963  0.32375121  0.32328508  1.0
  Be  Be7  1  0.97378561  0.68028784  0.67296327  1.0
  Be  Be8  1  0.49901896  0.00034671  0.00155222  1.0
  Be  Be9  1  0.00176286  0.50110112  0.49554215  1.0
  Be  Be10  1  0.00176286  0.50110112  0.00159387  1.0
  Be  Be11  1  0.49901896  0.00034671  0.49908211  1.0
  Be  Be12  1  0.00016661  0.99820493  0.50081373  1.0
  Be  Be13  1  0.49639970  0.50188806  0.00085612  1.0
  Be  Be14  1  0.00155065  0.99540022  0.00152507  1.0
  Nb  Nb15  1  0.71183696  0.28858686  0.30608459  1.0
  Nb  Nb16  1  0.28393397  0.70771744  0.70688900  1.0
  Nb  Nb17  1  0.28393397  0.70771744  0.30145959  1.0
  Nb  Nb18  1  0.71183696  0.28858686  0.69349159  1.0
  Nb  Nb19  1  0.29639636  0.29681789  0.70339287  1.0
  Nb  Nb20  1  0.71577688  0.69858163  0.29282024  1.0
  Co  Co21  1  0.12302840  0.12263438  0.12084121  1.0
  Co  Co22  1  0.87600975  0.87809937  0.87900524  1.0
  Co  Co23  1  0.12302840  0.12263438  0.63349601  1.0
  Co  Co24  1  0.12351845  0.63396533  0.12125811  1.0
  Co  Co25  1  0.87600975  0.87809937  0.36688563  1.0
  Cu  Cu26  1  0.87585383  0.36725375  0.87844571  1.0
  Cu  Cu27  1  0.63262523  0.12335015  0.12201231  1.0
  Cu  Cu28  1  0.36802374  0.87687424  0.87755051  1.0
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