KMg14Cr

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1026832 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

KMg14Cr

MP-ID

mp-1026832

Elements

Sites

Density

1.8626

g/cm³

Volume

384.57

Å³

Cell a

6.4885

Cell b

6.5228

Cell c

10.5109

α Angle

90.00

β Angle

90.00

γ Angle

120.17

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
8.41	10.5109	7.1	(0,0,1)
15.72	5.6389	1.1	(1,-1,0)
15.80	5.6093	2.3	(1,0,0)
16.87	5.2555	2.3	(0,0,2)
17.85	4.9690	1.0	(1,-1,1)
17.92	4.9487	3.6	(1,0,1)
23.19	3.8352	2.3	(1,0,2)
25.42	3.5036	1.7	(0,0,3)
28.66	3.1149	1.3	(1,-2,1)
30.07	2.9716	1.2	(1,0,3)
31.74	2.8195	24.7	(2,-2,0)
31.91	2.8046	12.3	(2,0,0)
34.12	2.6277	38.6	(0,0,4)
36.15	2.4845	100.0	(2,-2,2)
36.31	2.4743	49.4	(2,0,2)
47.29	1.9223	15.1	(2,-2,4)
47.41	1.9176	7.5	(2,0,4)
56.43	1.6307	8.5	(2,-4,0)
56.75	1.6221	8.4	(4,-2,0)
56.75	1.6221	8.4	(2,2,0)
62.41	1.4880	17.7	(2,-2,6)
62.51	1.4858	8.8	(2,0,6)
66.30	1.4097	1.3	(4,-4,0)
66.30	1.4097	1.3	(0,4,0)

Get direct link

Energy Properties

Formation Energy/atom

0.21066

eV/atom

Energy/atom

-1.89002

eV/atom

Energy above Hull

0.2107

eV/atom

Uncorrected Energy

-1.8900

eV/atom

Volume/atom

24.04

Å³

c/a Ratio

1.6199

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

4.0972

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.010650

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

1.6541

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

10.454%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1503

smaller = more stable mixing

VEC

2.188

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-2.248

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.682

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgkzo

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1026832

Reference Citation

The crystal structure and related material properties of KMg14Cr were obtained from the Materials Project database (MP-ID: mp-1026832, 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_KMg14Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.48849199
_cell_length_b   6.52277126
_cell_length_c   10.51089362
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.17492308
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMg14Cr
_chemical_formula_sum   'K1 Mg14 Cr1'
_cell_volume   384.57228887
_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
  K  K0  1  0.16631320  0.33315610  0.12500000  1.0
  Mg  Mg1  1  0.16790073  0.33394986  0.62500000  1.0
  Mg  Mg2  1  0.16655668  0.83327784  0.62500000  1.0
  Mg  Mg3  1  0.66480742  0.32984588  0.12500000  1.0
  Mg  Mg4  1  0.66650677  0.33414896  0.62500000  1.0
  Mg  Mg5  1  0.66480742  0.83496054  0.12500000  1.0
  Mg  Mg6  1  0.66650677  0.83235680  0.62500000  1.0
  Mg  Mg7  1  0.33540566  0.15841267  0.38221751  1.0
  Mg  Mg8  1  0.33540566  0.15841267  0.86778249  1.0
  Mg  Mg9  1  0.33540566  0.67699399  0.38221751  1.0
  Mg  Mg10  1  0.33540566  0.67699399  0.86778249  1.0
  Mg  Mg11  1  0.82512402  0.16256251  0.38762706  1.0
  Mg  Mg12  1  0.82512402  0.16256251  0.86237294  1.0
  Mg  Mg13  1  0.83756994  0.66878547  0.36809393  1.0
  Mg  Mg14  1  0.83756994  0.66878547  0.88190607  1.0
  Cr  Cr15  1  0.16959045  0.83479472  0.12500000  1.0

Get direct link