Mg14CoSi

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1026883 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

Mg14CoSi

MP-ID

mp-1026883

Elements

Sites

Density

2.1332

g/cm³

Volume

332.61

Å³

Cell a

6.1957

Cell b

6.2759

Cell c

9.9203

α Angle

90.00

β Angle

90.00

γ Angle

120.43

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
8.91	9.9203	21.3	(0,0,1)
16.38	5.4115	3.6	(1,-1,0)
16.59	5.3423	4.6	(1,0,0)
17.88	4.9601	2.7	(0,0,2)
18.68	4.7506	4.8	(1,-1,1)
18.87	4.7036	5.7	(1,0,1)
24.34	3.6565	1.9	(1,-1,2)
24.49	3.6350	1.4	(1,0,2)
30.23	2.9567	1.2	(2,-1,1)
31.83	2.8117	2.4	(1,0,3)
33.11	2.7057	22.9	(2,-2,0)
33.55	2.6712	13.6	(2,0,0)
36.22	2.4801	33.5	(0,0,4)
37.88	2.3753	100.0	(2,-2,2)
38.27	2.3518	43.1	(2,0,2)
39.59	2.2762	2.3	(1,-2,3)
40.08	2.2495	1.0	(1,0,4)
43.20	2.0941	1.8	(2,-2,3)
43.20	2.0941	1.8	(0,2,3)
43.56	2.0779	1.4	(2,0,3)
45.52	1.9926	1.3	(3,-2,1)
45.52	1.9926	1.3	(1,2,1)
45.73	1.9841	1.7	(0,0,5)
48.97	1.8599	1.3	(1,0,5)

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Energy Properties

Formation Energy/atom

0.10354

eV/atom

Energy/atom

-2.10804

eV/atom

Energy above Hull

0.1745

eV/atom

Uncorrected Energy

-2.1125

eV/atom

Volume/atom

20.79

Å³

c/a Ratio

1.6012

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0025

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000010

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

0.063

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

0.3441

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

8.364%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1919

smaller = more stable mixing

VEC

2.563

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-11.461

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.746

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacglbn

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1026883

Reference Citation

The crystal structure and related material properties of Mg14CoSi were obtained from the Materials Project database (MP-ID: mp-1026883, 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_Mg14CoSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.19572137
_cell_length_b   6.27594200
_cell_length_c   9.92026248
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.42924547
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg14CoSi
_chemical_formula_sum   'Mg14 Co1 Si1'
_cell_volume   332.60579902
_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  0.17247684  0.33623792  0.62500000  1.0
  Mg  Mg1  1  0.17307452  0.83653676  0.62500000  1.0
  Mg  Mg2  1  0.70492121  0.35129659  0.12500000  1.0
  Mg  Mg3  1  0.66460065  0.33090062  0.62500000  1.0
  Mg  Mg4  1  0.70492121  0.85362362  0.12500000  1.0
  Mg  Mg5  1  0.66460065  0.83369903  0.62500000  1.0
  Mg  Mg6  1  0.31829410  0.16446117  0.34408800  1.0
  Mg  Mg7  1  0.31829410  0.16446117  0.90591200  1.0
  Mg  Mg8  1  0.31829410  0.65383393  0.34408800  1.0
  Mg  Mg9  1  0.31829410  0.65383393  0.90591200  1.0
  Mg  Mg10  1  0.83960429  0.16980264  0.36827342  1.0
  Mg  Mg11  1  0.83960429  0.16980264  0.88172658  1.0
  Mg  Mg12  1  0.83261637  0.66630868  0.37525972  1.0
  Mg  Mg13  1  0.83261637  0.66630868  0.87474028  1.0
  Co  Co14  1  0.14677728  0.32338814  0.12500000  1.0
  Si  Si15  1  0.15100994  0.82550447  0.12500000  1.0

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