Co(BW)2

High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-7573 · Space group: Immm (#71)

Materials Project API

Basic Information

Formula

Co(BW)2

MP-ID

mp-7573

Elements

Sites

Density

14.6145

g/cm³

Volume

50.93

Å³

Cell a

3.1706

Cell b

4.4913

Cell c

4.4913

α Angle

60.78

β Angle

69.33

γ Angle

69.33

Space Group

Immm

Point Group

mmm

Crystal System

Orthorhombic

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
23.27	3.8226	10.0	(0,1,0)
25.19	3.5350	72.3	(0,1,1)
30.91	2.8930	22.8	(1,1,1)
30.91	2.8930	22.8	(1,0,0)
34.49	2.6002	61.9	(1,0,1)
34.49	2.6002	61.9	(1,1,0)
39.67	2.2720	82.1	(0,1,-1)
43.19	2.0946	100.0	(1,2,1)
43.19	2.0946	50.0	(1,-1,0)
43.19	2.0946	50.0	(1,0,-1)
43.25	2.0921	91.5	(0,2,1)
47.58	1.9113	35.6	(0,2,0)
48.11	1.8914	16.5	(1,2,2)
48.11	1.8914	16.5	(1,-1,-1)
51.12	1.7868	15.5	(1,0,2)
51.12	1.7868	7.7	(1,2,0)
51.12	1.7868	7.7	(1,1,-1)
51.72	1.7675	8.6	(0,2,2)
58.20	1.5853	30.3	(2,1,1)
63.53	1.4644	1.1	(2,2,1)
64.06	1.4536	17.5	(1,3,1)
64.06	1.4536	5.8	(1,0,-2)
64.41	1.4465	6.0	(2,2,2)
64.41	1.4465	6.0	(2,0,0)

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Energy Properties

Formation Energy/atom

-0.41471

eV/atom

Energy/atom

-26.54722

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-26.5472

eV/atom

Volume/atom

10.19

Å³

c/a Ratio

1.4166

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

K_VRH

335.374

GPa

G_VRH

208.110

GPa

Young's Modulus E

517.325

GPa

Poisson Ratio ν

0.243

Pugh Ratio K/G

1.612

Vickers Hardness Est.

22.988

GPa

Ductility

Ductile

Anisotropy

0.144

Lame λ

196.634

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

B · 0.400

Element Family

Metalloid-Nonmetal

Solute Fraction

0.600

Interstitial Fraction

0.400

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0549

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.7706

J/mol·K

Ω Parameter

0.5425

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

19.136%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1920

smaller = more stable mixing

VEC

5.400

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-44.800

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9602

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.468

Family

B-rich Multi-Component

Matrix Element

B · 0.400

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.1440

Homogeneous Poisson ν

0.2430

Debye Temperature

574.8

Sound Velocity

4,185.9

m/s

Homogeneity

0.2430

Related Tasks

Related computation task IDs (5)

aaadmihb aaadsovq aaaemcup aaaeumcx aaafbygt

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-7573

Reference Citation

The crystal structure and related material properties of Co(BW)2 were obtained from the Materials Project database (MP-ID: mp-7573, 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

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Raw CIF Data

# generated using pymatgen
data_Co(BW)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.17056605
_cell_length_b   4.49128173
_cell_length_c   4.49128154
_cell_angle_alpha   60.77826042
_cell_angle_beta   69.33095792
_cell_angle_gamma   69.33097543
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co(BW)2
_chemical_formula_sum   'Co1 B2 W2'
_cell_volume   50.92955990
_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
  Co  Co0  1  0.00000000  -0.00000000  -0.00000000  1.0
  B  B1  1  0.50000000  0.70705870  0.29294130  1.0
  B  B2  1  0.50000000  0.29294130  0.70705870  1.0
  W  W3  1  0.79890349  0.70109651  0.70109651  1.0
  W  W4  1  0.20109651  0.29890349  0.29890349  1.0

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