Be18Nb6Co5

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3293044 · Space group: Cm (#8)

Materials Project API

Basic Information

Formula

Be18Nb6Co5

MP-ID

mp-3293044

Elements

Sites

Density

5.6343

g/cm³

Volume

298.94

Å³

Cell a

7.5160

Cell b

7.5097

Cell c

7.4933

α Angle

60.07

β Angle

60.10

γ Angle

59.77

Space Group

Point Group

Crystal System

Monoclinic

Bravais Lattice

Stability

Yes

Packing Fraction

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 24)

2θ	d (Å)	I	hkl
14.45	6.1298	18.7	(1,0,0)
14.45	6.1296	20.3	(1,1,1)
14.45	6.1296	20.3	(0,0,1)
14.47	6.1229	3.1	(0,1,0)
16.64	5.3283	65.9	(1,1,0)
16.74	5.2964	70.1	(1,0,1)
16.74	5.2964	70.1	(0,1,1)
23.68	3.7580	3.8	(2,1,1)
23.68	3.7579	3.8	(1,0,-1)
23.70	3.7548	22.1	(1,2,1)
23.70	3.7548	22.1	(0,1,-1)
23.75	3.7466	55.2	(1,1,2)
27.79	3.2108	1.6	(2,1,0)
27.81	3.2079	12.2	(1,2,0)
27.91	3.1968	4.7	(2,1,2)
27.91	3.1968	4.7	(0,1,2)
27.92	3.1958	30.4	(1,0,2)
29.14	3.0649	100.0	(2,0,0)
29.14	3.0648	83.5	(2,2,2)
29.14	3.0648	83.5	(0,0,2)
29.17	3.0615	91.1	(0,2,0)
33.64	2.6642	7.9	(2,2,0)
33.85	2.6482	8.7	(2,0,2)
33.85	2.6482	8.7	(0,2,2)

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Energy Properties

Formation Energy/atom

-0.27232

eV/atom

Energy/atom

-10.36401

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-10.3640

eV/atom

Volume/atom

10.31

Å³

c/a Ratio

0.9970

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.2302

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000770

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Be · 0.621

Element Family

Alkali-AlkEarth

Solute Fraction

0.379

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9251

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.6911

J/mol·K

Ω Parameter

0.6400

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

11.132%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1149

smaller = more stable mixing

VEC

3.828

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-22.137

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8420

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.590

Family

Be-rich Multi-Component

Matrix Element

Be · 0.621

Related Tasks

Related computation task IDs (1)

aaahfjjo

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3293044

Reference Citation

The crystal structure and related material properties of Be18Nb6Co5 were obtained from the Materials Project database (MP-ID: mp-3293044, 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

3D Crystal Structure Rendering

Loading 3D structure…

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Raw CIF Data

# generated using pymatgen
data_Be18Nb6Co5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.51602652
_cell_length_b   7.50969924
_cell_length_c   7.49325666
_cell_angle_alpha   60.07223556
_cell_angle_beta   60.09966075
_cell_angle_gamma   59.77494779
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be18Nb6Co5
_chemical_formula_sum   'Be18 Nb6 Co5'
_cell_volume   298.93954513
_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  0.32490588  0.32663926  0.32514713  1.0
  Be  Be1  1  0.67565557  0.67554495  0.67132139  1.0
  Be  Be2  1  0.32492827  0.32656390  0.02339302  1.0
  Be  Be3  1  0.32251856  0.02227785  0.32763347  1.0
  Be  Be4  1  0.67570480  0.67561010  0.97738621  1.0
  Be  Be5  1  0.67623497  0.97386612  0.67490046  1.0
  Be  Be6  1  0.02934293  0.32378132  0.32342273  1.0
  Be  Be7  1  0.97279870  0.68137219  0.67293486  1.0
  Be  Be8  1  0.49716710  0.99951751  0.00187536  1.0
  Be  Be9  1  0.00142774  0.50103237  0.49730931  1.0
  Be  Be10  1  0.00133211  0.50109365  0.00028464  1.0
  Be  Be11  1  0.49716739  0.99947463  0.50149759  1.0
  Be  Be12  1  0.00296164  0.99790546  0.49956162  1.0
  Be  Be13  1  0.50448574  0.49583297  0.99988868  1.0
  Be  Be14  1  0.99598530  0.00058476  0.00172398  1.0
  Be  Be15  1  0.88041923  0.36432072  0.87750481  1.0
  Be  Be16  1  0.63616565  0.11721764  0.12327140  1.0
  Be  Be17  1  0.36030057  0.87861210  0.88056524  1.0
  Nb  Nb18  1  0.71262607  0.28742258  0.30114226  1.0
  Nb  Nb19  1  0.28465731  0.70883777  0.70944442  1.0
  Nb  Nb20  1  0.28469223  0.70882497  0.29708859  1.0
  Nb  Nb21  1  0.71261599  0.28742337  0.69878175  1.0
  Nb  Nb22  1  0.29625665  0.29601838  0.70386011  1.0
  Nb  Nb23  1  0.71432186  0.70045071  0.29261383  1.0
  Co  Co24  1  0.12269366  0.12509444  0.11273166  1.0
  Co  Co25  1  0.87104905  0.88157152  0.88326913  1.0
  Co  Co26  1  0.12268573  0.12510020  0.63947906  1.0
  Co  Co27  1  0.12782686  0.63644421  0.11787761  1.0
  Co  Co28  1  0.87107142  0.88156634  0.36408969  1.0

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