Mg14CrCo

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1028410 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

Mg14CrCo

MP-ID

mp-1028410

Elements

Sites

Density

2.2916

g/cm³

Volume

326.95

Å³

Cell a

6.2294

Cell b

6.1754

Cell c

9.7857

α Angle

90.00

β Angle

90.00

γ Angle

119.71

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
9.04	9.7857	34.3	(0,0,1)
16.38	5.4103	8.3	(1,0,0)
18.13	4.8929	5.0	(0,0,2)
18.74	4.7348	9.5	(1,0,1)
24.53	3.6290	2.9	(1,0,2)
28.92	3.0877	1.4	(1,-2,0)
30.35	2.9446	1.8	(1,-2,1)
32.04	2.7935	1.6	(1,0,3)
33.12	2.7052	12.3	(2,0,0)
33.41	2.6817	27.9	(2,-2,0)
34.34	2.6112	1.6	(1,-2,2)
34.40	2.6074	1.3	(2,0,1)
34.68	2.5864	2.8	(2,-2,1)
36.74	2.4464	36.0	(0,0,4)
38.01	2.3674	53.2	(2,0,2)
38.27	2.3517	100.0	(2,-2,2)
40.22	2.2424	2.1	(1,-2,3)
40.47	2.2291	1.4	(1,0,4)
43.46	2.0823	2.4	(2,0,3)
43.70	2.0715	4.3	(2,-2,3)
45.53	1.9921	1.8	(3,-2,1)
46.40	1.9571	2.0	(0,0,5)
48.45	1.8788	2.4	(3,-2,2)
49.53	1.8404	1.1	(1,0,5)

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Energy Properties

Formation Energy/atom

0.22278

eV/atom

Energy/atom

-2.25303

eV/atom

Energy above Hull

0.2234

eV/atom

Uncorrected Energy

-2.2530

eV/atom

Volume/atom

20.43

Å³

c/a Ratio

1.5709

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.7023

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.002150

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

0.4591

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

7.119%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1570

smaller = more stable mixing

VEC

2.688

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-8.849

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.714

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgnig

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1028410

Reference Citation

The crystal structure and related material properties of Mg14CrCo were obtained from the Materials Project database (MP-ID: mp-1028410, 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_Mg14CrCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.22940239
_cell_length_b   6.17541983
_cell_length_c   9.78569111
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.71375531
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg14CrCo
_chemical_formula_sum   'Mg14 Cr1 Co1'
_cell_volume   326.94934435
_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  0.16883450  0.33441675  0.62500000  1.0
  Mg  Mg1  1  0.17006364  0.83503132  0.62500000  1.0
  Mg  Mg2  1  0.67135143  0.33878682  0.12500000  1.0
  Mg  Mg3  1  0.66377067  0.33099640  0.62500000  1.0
  Mg  Mg4  1  0.67135143  0.83256362  0.12500000  1.0
  Mg  Mg5  1  0.66377067  0.83277327  0.62500000  1.0
  Mg  Mg6  1  0.32284121  0.16170368  0.35317280  1.0
  Mg  Mg7  1  0.32284121  0.16170368  0.89682720  1.0
  Mg  Mg8  1  0.32284121  0.66113853  0.35317280  1.0
  Mg  Mg9  1  0.32284121  0.66113853  0.89682720  1.0
  Mg  Mg10  1  0.84771039  0.17385570  0.36384194  1.0
  Mg  Mg11  1  0.84771039  0.17385570  0.88615806  1.0
  Mg  Mg12  1  0.84545550  0.67272825  0.36968022  1.0
  Mg  Mg13  1  0.84545550  0.67272825  0.88031978  1.0
  Cr  Cr14  1  0.15381981  0.82690940  0.12500000  1.0
  Co  Co15  1  0.15934122  0.32967011  0.12500000  1.0

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