Mg14CoMo

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1028400 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

Mg14CoMo

MP-ID

mp-1028400

Elements

Sites

Density

2.4703

g/cm³

Volume

332.84

Å³

Cell a

6.2610

Cell b

6.2016

Cell c

9.8673

α Angle

90.00

β Angle

90.00

γ Angle

119.69

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
8.96	9.8673	63.2	(0,0,1)
16.30	5.4392	16.3	(1,0,0)
16.45	5.3876	2.6	(1,-1,0)
17.98	4.9337	10.8	(0,0,2)
18.63	4.7634	20.3	(1,0,1)
18.77	4.7287	3.6	(1,-1,1)
24.36	3.6543	7.7	(1,0,2)
24.46	3.6386	1.1	(1,-1,2)
24.46	3.6386	1.1	(0,1,2)
28.79	3.1008	3.2	(1,-2,0)
29.95	2.9838	1.4	(2,-1,1)
30.21	2.9582	5.0	(1,-2,1)
31.79	2.8145	4.1	(1,0,3)
31.88	2.8073	1.4	(1,-1,3)
32.93	2.7196	12.1	(2,0,0)
33.26	2.6938	31.0	(2,-2,0)
34.15	2.6253	3.9	(1,-2,2)
34.20	2.6218	3.4	(2,0,1)
34.51	2.5987	7.1	(2,-2,1)
36.42	2.4668	37.0	(0,0,4)
37.77	2.3817	55.7	(2,0,2)
38.06	2.3643	100.0	(2,-2,2)
39.96	2.2562	3.7	(1,-2,3)
40.14	2.2466	3.1	(1,0,4)

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Energy Properties

Formation Energy/atom

0.18021

eV/atom

Energy/atom

-2.37014

eV/atom

Energy above Hull

0.1830

eV/atom

Uncorrected Energy

-2.3701

eV/atom

Volume/atom

20.80

Å³

c/a Ratio

1.5760

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

1.7671

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.005310

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

0.5497

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

6.125%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2400

smaller = more stable mixing

VEC

2.688

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-7.704

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.740

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgnhw

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1028400

Reference Citation

The crystal structure and related material properties of Mg14CoMo were obtained from the Materials Project database (MP-ID: mp-1028400, 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_Mg14CoMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.26098387
_cell_length_b   6.20159348
_cell_length_c   9.86733098
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.68671060
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg14CoMo
_chemical_formula_sum   'Mg14 Co1 Mo1'
_cell_volume   332.84236407
_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  0.16848617  0.33424258  0.62500000  1.0
  Mg  Mg1  1  0.16980572  0.83490236  0.62500000  1.0
  Mg  Mg2  1  0.66594301  0.33675323  0.12500000  1.0
  Mg  Mg3  1  0.66344251  0.33045251  0.62500000  1.0
  Mg  Mg4  1  0.66594301  0.82918878  0.12500000  1.0
  Mg  Mg5  1  0.66344251  0.83298900  0.62500000  1.0
  Mg  Mg6  1  0.32481635  0.16258724  0.35573668  1.0
  Mg  Mg7  1  0.32481635  0.16258724  0.89426332  1.0
  Mg  Mg8  1  0.32481635  0.66223010  0.35573668  1.0
  Mg  Mg9  1  0.32481635  0.66223010  0.89426332  1.0
  Mg  Mg10  1  0.85070530  0.17535315  0.36247262  1.0
  Mg  Mg11  1  0.85070530  0.17535315  0.88752738  1.0
  Mg  Mg12  1  0.84595843  0.67297971  0.37094274  1.0
  Mg  Mg13  1  0.84595843  0.67297971  0.87905726  1.0
  Co  Co14  1  0.15662951  0.32831426  0.12500000  1.0
  Mo  Mo15  1  0.15371473  0.82685687  0.12500000  1.0

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