CaMg14Cr

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1028109 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

CaMg14Cr

MP-ID

mp-1028109

Elements

Sites

Density

1.9256

g/cm³

Volume

372.82

Å³

Cell a

6.4314

Cell b

6.4314

Cell c

10.4080

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P-6m2

Point Group

-6m2

Crystal System

Hexagonal

Bravais Lattice

Stability

Packing Fraction

0.7405

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 21)

2θ	d (Å)	I	hkl
8.50	10.4080	1.2	(0,0,0,1)
15.91	5.5697	5.6	(1,0,-1,0)
17.04	5.2040	1.7	(0,0,0,2)
23.39	3.8025	4.4	(1,0,-1,2)
27.74	3.2157	1.4	(2,-1,-1,0)
32.14	2.7849	24.8	(2,0,-2,0)
32.74	2.7356	1.8	(2,-1,-1,2)
34.47	2.6020	25.8	(0,0,0,4)
36.60	2.4554	100.0	(2,0,-2,2)
38.18	2.3574	1.1	(1,0,-1,4)
47.84	1.9013	15.1	(2,0,-2,4)
57.30	1.6078	5.6	(4,-2,-2,0)
57.30	1.6078	11.3	(2,2,-4,0)
63.15	1.4724	17.6	(2,0,-2,6)
67.24	1.3924	2.6	(4,0,-4,0)
68.61	1.3678	18.4	(4,-2,-2,4)
69.94	1.3451	8.8	(4,0,-4,2)
69.94	1.3451	4.4	(0,4,-4,2)
72.68	1.3010	2.4	(0,0,0,8)
77.80	1.2277	3.2	(4,0,-4,4)
81.69	1.1787	2.7	(2,0,-2,8)

Get direct link

Energy Properties

Formation Energy/atom

0.11514

eV/atom

Energy/atom

-2.04019

eV/atom

Energy above Hull

0.1315

eV/atom

Uncorrected Energy

-2.0402

eV/atom

Volume/atom

23.30

Å³

c/a Ratio

1.6183

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

4.2327

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.011350

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

2.6082

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

7.626%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1169

smaller = more stable mixing

VEC

2.250

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-1.497

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.775

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgmwr

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1028109

Reference Citation

The crystal structure and related material properties of CaMg14Cr were obtained from the Materials Project database (MP-ID: mp-1028109, 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…

Style: Ball & Stick | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_CaMg14Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.43135181
_cell_length_b   6.43135127
_cell_length_c   10.40802744
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000271
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMg14Cr
_chemical_formula_sum   'Ca1 Mg14 Cr1'
_cell_volume   372.82372933
_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
  Ca  Ca0  1  0.16666700  0.33333300  0.12500000  1.0
  Mg  Mg1  1  0.17347462  0.83673681  0.12500000  1.0
  Mg  Mg2  1  0.16677429  0.83338664  0.62500000  1.0
  Mg  Mg3  1  0.66326319  0.32652538  0.12500000  1.0
  Mg  Mg4  1  0.66661336  0.33322571  0.62500000  1.0
  Mg  Mg5  1  0.66326319  0.83673681  0.12500000  1.0
  Mg  Mg6  1  0.66661336  0.83338664  0.62500000  1.0
  Mg  Mg7  1  0.33320232  0.16679768  0.38520168  1.0
  Mg  Mg8  1  0.33320232  0.16679768  0.86479832  1.0
  Mg  Mg9  1  0.33320232  0.66640564  0.38520168  1.0
  Mg  Mg10  1  0.33320232  0.66640564  0.86479832  1.0
  Mg  Mg11  1  0.83359436  0.16679768  0.38520168  1.0
  Mg  Mg12  1  0.83359436  0.16679768  0.86479832  1.0
  Mg  Mg13  1  0.83333300  0.66666700  0.36988704  1.0
  Mg  Mg14  1  0.83333300  0.66666700  0.88011296  1.0
  Cr  Cr15  1  0.16666700  0.33333300  0.62500000  1.0

Get direct link