Mg14CrC

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1026556 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

Mg14CrC

MP-ID

mp-1026556

Elements

Sites

Density

1.9846

g/cm³

Volume

338.26

Å³

Cell a

6.3060

Cell b

6.4447

Cell c

9.6829

α Angle

90.00

β Angle

90.00

γ Angle

120.73

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
9.13	9.6829	10.1	(0,0,1)
16.00	5.5398	3.5	(1,-1,0)
16.35	5.4205	2.7	(1,0,0)
18.45	4.8084	7.2	(1,-1,1)
18.76	4.7298	2.7	(1,0,1)
24.42	3.6455	6.7	(1,-1,2)
27.64	3.2276	1.5	(0,0,3)
28.31	3.1520	1.9	(2,-1,0)
29.81	2.9972	4.1	(2,-1,1)
32.10	2.7888	3.4	(1,-1,3)
32.28	2.7732	4.1	(1,0,3)
32.32	2.7699	19.7	(2,-2,0)
33.05	2.7103	16.0	(2,0,0)
33.94	2.6415	1.5	(2,-1,2)
33.94	2.6415	1.5	(1,1,2)
34.36	2.6099	1.9	(2,0,1)
37.14	2.4207	28.2	(0,0,4)
37.41	2.4042	100.0	(2,-2,2)
38.05	2.3649	34.4	(2,0,2)
39.52	2.2804	1.7	(1,-2,3)
39.98	2.2551	1.2	(2,-1,3)
40.83	2.2103	1.2	(1,0,4)
42.92	2.1073	1.3	(2,-3,0)
43.03	2.1020	4.1	(2,-2,3)

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Energy Properties

Formation Energy/atom

0.33725

eV/atom

Energy/atom

-2.26966

eV/atom

Energy above Hull

0.3475

eV/atom

Uncorrected Energy

-2.2697

eV/atom

Volume/atom

21.14

Å³

c/a Ratio

1.5355

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

4.1057

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.012140

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

0.4115

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

13.772%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3064

smaller = more stable mixing

VEC

2.375

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-11.076

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.663

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgkoy

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1026556

Reference Citation

The crystal structure and related material properties of Mg14CrC were obtained from the Materials Project database (MP-ID: mp-1026556, 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_Mg14CrC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.30597991
_cell_length_b   6.44472008
_cell_length_c   9.68284988
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.73051301
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg14CrC
_chemical_formula_sum   'Mg14 Cr1 C1'
_cell_volume   338.25659499
_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  0.17765589  0.33882744  0.62500000  1.0
  Mg  Mg1  1  0.17123528  0.83561714  0.62500000  1.0
  Mg  Mg2  1  0.73890617  0.37947975  0.12500000  1.0
  Mg  Mg3  1  0.65997631  0.33482291  0.62500000  1.0
  Mg  Mg4  1  0.73890617  0.85942541  0.12500000  1.0
  Mg  Mg5  1  0.65997631  0.82515240  0.62500000  1.0
  Mg  Mg6  1  0.31788149  0.14341539  0.33703806  1.0
  Mg  Mg7  1  0.31788149  0.14341539  0.91296194  1.0
  Mg  Mg8  1  0.31788149  0.67446710  0.33703806  1.0
  Mg  Mg9  1  0.31788149  0.67446710  0.91296194  1.0
  Mg  Mg10  1  0.83446520  0.16723310  0.37688562  1.0
  Mg  Mg11  1  0.83446520  0.16723310  0.87311438  1.0
  Mg  Mg12  1  0.83750515  0.66875308  0.36706040  1.0
  Mg  Mg13  1  0.83750515  0.66875308  0.88293960  1.0
  Cr  Cr14  1  0.17318717  0.33659309  0.12500000  1.0
  C  C15  1  0.06469007  0.78234453  0.12500000  1.0

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