Mg14TiCo

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1028031 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

Mg14TiCo

MP-ID

mp-1028031

Elements

Sites

Density

2.2167

g/cm³

Volume

334.90

Å³

Cell a

6.2911

Cell b

6.1248

Cell c

9.9499

α Angle

90.00

β Angle

90.00

γ Angle

119.13

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
8.89	9.9499	29.6	(0,0,1)
16.13	5.4955	7.2	(1,0,0)
17.83	4.9750	4.3	(0,0,2)
18.44	4.8105	8.0	(1,0,1)
18.83	4.7122	1.2	(1,-1,1)
24.13	3.6882	2.4	(1,0,2)
29.16	3.0624	1.2	(1,-2,0)
30.54	2.9269	1.7	(1,-2,1)
31.51	2.8396	1.4	(1,0,3)
32.59	2.7477	11.6	(2,0,0)
33.50	2.6751	29.0	(2,-2,0)
33.84	2.6486	1.1	(2,0,1)
34.39	2.6079	1.4	(1,-2,2)
34.73	2.5834	1.2	(2,-2,1)
34.73	2.5834	1.2	(0,2,1)
36.11	2.4875	38.7	(0,0,4)
37.39	2.4053	58.1	(2,0,2)
38.20	2.3561	100.0	(2,-2,2)
39.78	2.2661	1.3	(1,0,4)
40.08	2.2500	1.5	(1,-2,3)
42.73	2.1159	2.1	(2,0,3)
43.46	2.0822	3.3	(2,-2,3)
45.59	1.9900	1.7	(0,0,5)
49.42	1.8441	6.6	(2,0,4)

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Energy Properties

Formation Energy/atom

0.12496

eV/atom

Energy/atom

-2.24100

eV/atom

Energy above Hull

0.1735

eV/atom

Uncorrected Energy

-2.2410

eV/atom

Volume/atom

20.93

Å³

c/a Ratio

1.5816

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0547

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000160

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

1.0233

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

5.630%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1453

smaller = more stable mixing

VEC

2.563

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-3.914

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.747

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgmtr

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1028031

Reference Citation

The crystal structure and related material properties of Mg14TiCo were obtained from the Materials Project database (MP-ID: mp-1028031, 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_Mg14TiCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.29113785
_cell_length_b   6.12483973
_cell_length_c   9.94992234
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.12937051
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg14TiCo
_chemical_formula_sum   'Mg14 Ti1 Co1'
_cell_volume   334.90209927
_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  0.16581688  0.33290794  0.62500000  1.0
  Mg  Mg1  1  0.16960481  0.83480191  0.62500000  1.0
  Mg  Mg2  1  0.66107098  0.33723220  0.12500000  1.0
  Mg  Mg3  1  0.66277080  0.32903951  0.62500000  1.0
  Mg  Mg4  1  0.66107098  0.82383778  0.12500000  1.0
  Mg  Mg5  1  0.66277080  0.83373029  0.62500000  1.0
  Mg  Mg6  1  0.32733562  0.16738075  0.35869643  1.0
  Mg  Mg7  1  0.32733562  0.16738075  0.89130357  1.0
  Mg  Mg8  1  0.32733562  0.65995587  0.35869643  1.0
  Mg  Mg9  1  0.32733562  0.65995587  0.89130357  1.0
  Mg  Mg10  1  0.85347372  0.17673736  0.35730407  1.0
  Mg  Mg11  1  0.85347372  0.17673736  0.89269593  1.0
  Mg  Mg12  1  0.84258829  0.67129464  0.37567077  1.0
  Mg  Mg13  1  0.84258829  0.67129464  0.87432923  1.0
  Ti  Ti14  1  0.14986997  0.82493449  0.12500000  1.0
  Co  Co15  1  0.16555828  0.33277864  0.12500000  1.0

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