KMg14Co

高熵材料 HEA 传统材料 TRA

MP-ID: mp-1027815 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

KMg14Co

MP-ID

mp-1027815

Elements

Sites

Density

1.9979

g/cm³

Volume

364.30

Å³

Cell a

6.3335

Cell b

6.3335

Cell c

10.4866

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 24)

2θ	d (Å)	I	hkl
8.43	10.4866	7.8	(0,0,0,1)
16.16	5.4850	5.6	(1,0,-1,0)
16.16	5.4850	2.8	(0,1,-1,0)
16.91	5.2433	3.1	(0,0,0,2)
18.25	4.8603	3.1	(1,0,-1,1)
23.47	3.7901	5.3	(1,0,-1,2)
28.18	3.1668	1.9	(2,-1,-1,0)
30.32	2.9478	1.4	(1,0,-1,3)
32.65	2.7425	25.6	(2,0,-2,0)
33.05	2.7107	1.4	(1,1,-2,2)
34.20	2.6217	24.1	(0,0,0,4)
36.99	2.4301	100.0	(2,0,-2,2)
38.04	2.3654	1.5	(1,0,-1,4)
38.35	2.3469	2.0	(2,-1,-1,3)
41.87	2.1577	3.3	(2,0,-2,3)
43.13	2.0973	1.2	(0,0,0,5)
46.35	1.9590	1.5	(1,0,-1,5)
47.14	1.9279	1.5	(3,-1,-2,2)
48.01	1.8951	15.0	(2,0,-2,4)
55.13	1.6660	1.9	(2,0,-2,5)
58.27	1.5834	5.7	(4,-2,-2,0)
58.27	1.5834	11.4	(2,2,-4,0)
63.07	1.4739	13.7	(2,0,-2,6)
68.42	1.3712	1.7	(4,0,-4,0)

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Energy Properties

Formation Energy/atom

0.19189

eV/atom

Energy/atom

-4.65953

eV/atom

Energy above Hull

0.1919

eV/atom

Uncorrected Energy

-1.7251

eV/atom

Volume/atom

22.77

Å³

c/a Ratio

1.6557

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0706

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000190

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

HEA

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

0.5534

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

10.705%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1879

smaller = more stable mixing

VEC

2.375

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-6.539

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Traditional Material Features

TRA

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.695

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgmlj

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1027815

Reference Citation

The crystal structure and related material properties of KMg14Co were obtained from the Materials Project database (MP-ID: mp-1027815, 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_KMg14Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.33349415
_cell_length_b   6.33349365
_cell_length_c   10.48663987
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000266
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMg14Co
_chemical_formula_sum   'K1 Mg14 Co1'
_cell_volume   364.29539982
_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  0.16666700  0.33333300  0.62500000  1.0
  Mg  Mg1  1  0.15671640  0.82835770  0.12500000  1.0
  Mg  Mg2  1  0.17398543  0.83699222  0.62500000  1.0
  Mg  Mg3  1  0.67164230  0.34328360  0.12500000  1.0
  Mg  Mg4  1  0.66300778  0.32601457  0.62500000  1.0
  Mg  Mg5  1  0.67164230  0.82835770  0.12500000  1.0
  Mg  Mg6  1  0.66300778  0.83699222  0.62500000  1.0
  Mg  Mg7  1  0.32923845  0.17076155  0.34578436  1.0
  Mg  Mg8  1  0.32923845  0.17076155  0.90421564  1.0
  Mg  Mg9  1  0.32923845  0.65847791  0.34578436  1.0
  Mg  Mg10  1  0.32923845  0.65847791  0.90421564  1.0
  Mg  Mg11  1  0.84152209  0.17076155  0.34578436  1.0
  Mg  Mg12  1  0.84152209  0.17076155  0.90421564  1.0
  Mg  Mg13  1  0.83333300  0.66666700  0.38395742  1.0
  Mg  Mg14  1  0.83333300  0.66666700  0.86604258  1.0
  Co  Co15  1  0.16666700  0.33333300  0.12500000  1.0

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