CaMg14Cr

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1028121 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

CaMg14Cr

MP-ID

mp-1028121

Elements

Sites

Density

1.9101

g/cm³

Volume

375.85

Å³

Cell a

6.4638

Cell b

6.4359

Cell c

10.4177

α Angle

90.00

β Angle

90.00

γ Angle

119.86

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
8.49	10.4177	19.4	(0,0,1)
15.81	5.6058	5.5	(1,0,0)
15.88	5.5816	1.5	(1,-1,0)
17.02	5.2088	4.7	(0,0,2)
17.97	4.9365	7.9	(1,0,1)
18.03	4.9200	1.6	(1,-1,1)
23.31	3.8158	4.2	(1,0,2)
25.65	3.4726	2.2	(0,0,3)
27.72	3.2179	1.4	(1,-2,0)
29.04	3.0746	2.6	(1,-2,1)
30.28	2.9521	2.4	(1,0,3)
31.93	2.8029	23.5	(2,0,0)
32.07	2.7908	24.6	(2,-2,0)
32.07	2.7908	24.6	(0,2,0)
32.71	2.7377	1.7	(1,-2,2)
33.10	2.7067	1.7	(2,0,1)
33.23	2.6958	1.7	(2,-2,1)
33.23	2.6958	1.7	(0,2,1)
34.44	2.6044	76.2	(0,0,4)
36.40	2.4682	100.0	(2,0,2)
36.53	2.4600	97.0	(2,-2,2)
36.53	2.4600	97.0	(0,2,2)
38.10	2.3620	1.2	(1,0,4)
41.51	2.1754	1.4	(2,-2,3)

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Energy Properties

Formation Energy/atom

0.11161

eV/atom

Energy/atom

-2.04371

eV/atom

Energy above Hull

0.1280

eV/atom

Uncorrected Energy

-2.0437

eV/atom

Volume/atom

23.49

Å³

c/a Ratio

1.6117

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

4.0593

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.010800

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

0.777

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgmxd

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1028121

Reference Citation

The crystal structure and related material properties of CaMg14Cr were obtained from the Materials Project database (MP-ID: mp-1028121, 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_CaMg14Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.46375616
_cell_length_b   6.43588389
_cell_length_c   10.41766084
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.85746500
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMg14Cr
_chemical_formula_sum   'Ca1 Mg14 Cr1'
_cell_volume   375.85124073
_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  0.16477025  0.33238462  0.12500000  1.0
  Mg  Mg1  1  0.16723396  0.33361648  0.62500000  1.0
  Mg  Mg2  1  0.16598212  0.83299056  0.62500000  1.0
  Mg  Mg3  1  0.66113461  0.32532961  0.12500000  1.0
  Mg  Mg4  1  0.66635631  0.33424106  0.62500000  1.0
  Mg  Mg5  1  0.66113461  0.83580401  0.12500000  1.0
  Mg  Mg6  1  0.66635631  0.83211425  0.62500000  1.0
  Mg  Mg7  1  0.33437542  0.16047639  0.37787258  1.0
  Mg  Mg8  1  0.33437542  0.16047639  0.87212742  1.0
  Mg  Mg9  1  0.33437542  0.67390003  0.37787258  1.0
  Mg  Mg10  1  0.33437542  0.67390003  0.87212742  1.0
  Mg  Mg11  1  0.82997572  0.16498836  0.38389114  1.0
  Mg  Mg12  1  0.82997572  0.16498836  0.86610886  1.0
  Mg  Mg13  1  0.83937028  0.66968564  0.36649924  1.0
  Mg  Mg14  1  0.83937028  0.66968564  0.88350076  1.0
  Cr  Cr15  1  0.17083813  0.83541856  0.12500000  1.0

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