Mg14CoSb

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1028372 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

Mg14CoSb

MP-ID

mp-1028372

Elements

Sites

Density

2.5147

g/cm³

Volume

344.01

Å³

Cell a

6.2419

Cell b

6.2593

Cell c

10.1767

α Angle

90.00

β Angle

90.00

γ Angle

120.09

Space Group

Amm2

Point Group

mm2

Crystal System

Orthorhombic

Bravais Lattice

Stability

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
8.69	10.1767	69.5	(0,0,1)
16.37	5.4156	4.5	(1,-1,0)
16.41	5.4006	16.9	(1,0,0)
17.43	5.0884	13.8	(0,0,2)
18.56	4.7808	8.1	(1,-1,1)
18.60	4.7705	24.4	(1,0,1)
24.00	3.7083	6.3	(1,-1,2)
24.03	3.7035	11.6	(1,0,2)
26.27	3.3923	3.1	(0,0,3)
28.52	3.1296	4.2	(1,-2,0)
28.60	3.1209	1.6	(2,-1,0)
29.87	2.9914	6.7	(1,-2,1)
29.95	2.9838	3.3	(2,-1,1)
31.11	2.8748	3.6	(1,-1,3)
31.13	2.8726	5.8	(1,0,3)
33.08	2.7078	28.6	(2,-2,0)
33.18	2.7003	13.3	(2,0,0)
33.62	2.6658	5.2	(1,-2,2)
33.69	2.6604	2.2	(2,-1,2)
34.27	2.6168	4.8	(2,-2,1)
34.27	2.6168	4.8	(0,2,1)
34.36	2.6100	4.6	(2,0,1)
35.28	2.5442	39.0	(0,0,4)
37.63	2.3904	100.0	(2,-2,2)

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Energy Properties

Formation Energy/atom

0.04693

eV/atom

Energy/atom

-2.08363

eV/atom

Energy above Hull

0.1144

eV/atom

Uncorrected Energy

-2.0716

eV/atom

Volume/atom

21.50

Å³

c/a Ratio

1.6304

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.5589

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.001620

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Mg · 0.875

Element Family

Alkali-AlkEarth

Solute Fraction

0.125

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.4634

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

3.8528

J/mol·K

Ω Parameter

0.3020

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

5.732%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2187

smaller = more stable mixing

VEC

2.625

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-12.434

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.786

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgngu

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1028372

Reference Citation

The crystal structure and related material properties of Mg14CoSb were obtained from the Materials Project database (MP-ID: mp-1028372, 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_Mg14CoSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.24187307
_cell_length_b   6.25925152
_cell_length_c   10.17674043
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.09214756
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg14CoSb
_chemical_formula_sum   'Mg14 Co1 Sb1'
_cell_volume   344.01125913
_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
  Mg  Mg0  1  0.16713669  0.33356785  0.62500000  1.0
  Mg  Mg1  1  0.16879935  0.83439918  0.62500000  1.0
  Mg  Mg2  1  0.67149041  0.33599454  0.12500000  1.0
  Mg  Mg3  1  0.66588971  0.33095869  0.62500000  1.0
  Mg  Mg4  1  0.67149041  0.83549487  0.12500000  1.0
  Mg  Mg5  1  0.66588971  0.83493002  0.62500000  1.0
  Mg  Mg6  1  0.32836362  0.17431810  0.36326960  1.0
  Mg  Mg7  1  0.32836362  0.17431810  0.88673040  1.0
  Mg  Mg8  1  0.32836362  0.65404652  0.36326960  1.0
  Mg  Mg9  1  0.32836362  0.65404652  0.88673040  1.0
  Mg  Mg10  1  0.84519411  0.17259755  0.36481252  1.0
  Mg  Mg11  1  0.84519411  0.17259755  0.88518748  1.0
  Mg  Mg12  1  0.83130192  0.66565146  0.37969421  1.0
  Mg  Mg13  1  0.83130192  0.66565146  0.87030579  1.0
  Co  Co14  1  0.16455905  0.33227902  0.12500000  1.0
  Sb  Sb15  1  0.15829816  0.82914858  0.12500000  1.0

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