Mg14CrCd

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1026506 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

Mg14CrCd

MP-ID

mp-1026506

Elements

Sites

Density

2.3589

g/cm³

Volume

355.26

Å³

Cell a

6.3257

Cell b

6.3276

Cell c

10.2499

α Angle

90.00

β Angle

90.00

γ Angle

120.01

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
8.63	10.2499	51.3	(0,0,0,1)
16.18	5.4793	6.0	(1,-1,0,0)
16.18	5.4777	13.4	(1,0,-1,0)
17.30	5.1249	11.0	(0,0,0,2)
18.36	4.8322	9.7	(1,-1,0,1)
18.36	4.8311	19.6	(1,0,-1,1)
23.77	3.7429	2.9	(1,-1,0,2)
23.77	3.7429	2.9	(0,1,-1,2)
23.78	3.7424	10.0	(1,0,-1,2)
26.08	3.4166	3.5	(0,0,0,3)
28.21	3.1638	3.4	(1,-2,1,0)
28.22	3.1629	1.8	(2,-1,-1,0)
29.55	3.0231	5.8	(1,-2,1,1)
29.56	3.0222	3.3	(2,-1,-1,1)
30.84	2.8992	3.0	(1,-1,0,3)
30.84	2.8989	5.1	(1,0,-1,3)
32.69	2.7397	13.5	(2,-2,0,0)
32.69	2.7397	13.5	(0,2,-2,0)
32.70	2.7388	13.6	(2,0,-2,0)
33.28	2.6921	4.4	(1,-2,1,2)
33.29	2.6915	2.4	(2,-1,-1,2)
33.87	2.6467	8.2	(2,-2,0,1)
33.88	2.6460	4.1	(2,0,-2,1)
35.02	2.5625	38.9	(0,0,0,4)

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Energy Properties

Formation Energy/atom

0.08521

eV/atom

Energy/atom

-2.00477

eV/atom

Energy above Hull

0.0979

eV/atom

Uncorrected Energy

-2.0048

eV/atom

Volume/atom

22.20

Å³

c/a Ratio

1.6204

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

4.1803

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.011770

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

0.6312

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

5.021%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1208

smaller = more stable mixing

VEC

2.875

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-5.988

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.757

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgkna

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1026506

Reference Citation

The crystal structure and related material properties of Mg14CrCd were obtained from the Materials Project database (MP-ID: mp-1026506, 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_Mg14CrCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.32569779
_cell_length_b   6.32756646
_cell_length_c   10.24986737
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00977780
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg14CrCd
_chemical_formula_sum   'Mg14 Cr1 Cd1'
_cell_volume   355.26402673
_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  0.16658391  0.33329145  0.62500000  1.0
  Mg  Mg1  1  0.16710491  0.83355195  0.62500000  1.0
  Mg  Mg2  1  0.66724677  0.33158817  0.12500000  1.0
  Mg  Mg3  1  0.66649523  0.33294528  0.62500000  1.0
  Mg  Mg4  1  0.66724677  0.83565760  0.12500000  1.0
  Mg  Mg5  1  0.66649523  0.83354895  0.62500000  1.0
  Mg  Mg6  1  0.33089714  0.16801034  0.37094335  1.0
  Mg  Mg7  1  0.33089714  0.16801034  0.87905665  1.0
  Mg  Mg8  1  0.33089714  0.66288780  0.37094335  1.0
  Mg  Mg9  1  0.33089714  0.66288780  0.87905665  1.0
  Mg  Mg10  1  0.83724876  0.16862488  0.37322526  1.0
  Mg  Mg11  1  0.83724876  0.16862488  0.87677474  1.0
  Mg  Mg12  1  0.83377439  0.66688770  0.37534776  1.0
  Mg  Mg13  1  0.83377439  0.66688770  0.87465224  1.0
  Cr  Cr14  1  0.16526548  0.33263224  0.12500000  1.0
  Cd  Cd15  1  0.16792684  0.83396292  0.12500000  1.0

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