Co(BMo)2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1069105 · Space group: Immm (#71)

Materials Project API

Basic Information

Formula

Co(BMo)2

MP-ID

mp-1069105

Elements

Sites

Density

8.9164

g/cm³

Volume

50.74

Å³

Cell a

4.4921

Cell b

4.4921

Cell c

4.4921

α Angle

138.88

β Angle

119.25

γ Angle

76.00

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
25.16	3.5400	13.4	(1,1,-1)
31.03	2.8818	27.9	(1,0,-1)
34.62	2.5913	31.2	(1,-1,0)
39.68	2.2715	38.1	(1,-1,1)
43.20	2.0943	45.7	(1,2,-2)
43.27	2.0910	100.0	(2,0,-1)
47.56	1.9117	8.9	(0,2,-2)
48.15	1.8898	8.5	(2,1,-2)
51.21	1.7839	20.8	(2,-1,0)
51.64	1.7700	5.5	(2,2,-2)
58.51	1.5775	14.2	(1,-1,-1)
64.10	1.4527	4.3	(3,0,-1)
64.69	1.4409	2.1	(2,0,-2)
67.03	1.3962	3.2	(1,3,-3)
68.76	1.3652	5.1	(2,-2,1)
69.54	1.3518	4.6	(2,3,-3)
73.03	1.2957	12.0	(2,-2,0)
73.28	1.2918	11.7	(3,2,-3)
74.44	1.2745	9.8	(0,3,-3)
74.49	1.2738	16.6	(1,-3,2)
75.44	1.2600	16.6	(3,0,-2)
78.63	1.2167	4.2	(3,-1,-1)
81.59	1.1800	1.2	(3,3,-3)
81.78	1.1776	2.7	(3,1,-3)

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Energy Properties

Formation Energy/atom

-0.46274

eV/atom

Energy/atom

-16.47692

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-16.4769

eV/atom

Volume/atom

10.15

Å³

c/a Ratio

1.0000

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

Elastic data not available

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

0.4800

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

19.136%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1031

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

Related Tasks

Related computation task IDs (5)

aaacivqd aaadsnxe aaaelwox aaaeuijx aaafbvuy

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1069105

Reference Citation

The crystal structure and related material properties of Co(BMo)2 were obtained from the Materials Project database (MP-ID: mp-1069105, 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_Co(BMo)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.49213425
_cell_length_b   4.49213425
_cell_length_c   4.49213425
_cell_angle_alpha   138.88342187
_cell_angle_beta   119.25075894
_cell_angle_gamma   75.99503641
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co(BMo)2
_chemical_formula_sum   'Co1 B2 Mo2'
_cell_volume   50.73663119
_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  0.70540571  0.50000000  0.20540571  1.0
  B  B2  1  0.29459429  0.50000000  0.79459429  1.0
  Mo  Mo3  1  0.70064329  0.20064329  0.50000000  1.0
  Mo  Mo4  1  0.29935671  0.79935671  0.50000000  1.0

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