CsMg14Co

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1028424 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

CsMg14Co

MP-ID

mp-1028424

Elements

Sites

Density

2.2781

g/cm³

Volume

387.87

Å³

Cell a

6.5576

Cell b

6.3349

Cell c

10.6632

α Angle

90.00

β Angle

90.00

γ Angle

118.88

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
8.29	10.6632	80.7	(0,0,1)
15.43	5.7419	18.2	(1,0,0)
15.98	5.5469	5.5	(1,-1,0)
15.98	5.5469	5.5	(0,1,0)
16.63	5.3316	21.8	(0,0,2)
17.54	5.0555	28.1	(1,0,1)
18.03	4.9209	12.3	(1,-1,1)
22.76	3.9070	14.4	(1,0,2)
23.14	3.8439	12.4	(1,-1,2)
25.05	3.5544	8.7	(0,0,3)
27.22	3.2763	4.3	(2,-1,0)
27.22	3.2763	4.3	(1,1,0)
28.17	3.1674	5.6	(1,-2,0)
28.50	3.1318	20.6	(2,-1,1)
29.42	3.0363	10.4	(1,-2,1)
29.56	3.0222	7.6	(1,0,3)
29.86	2.9927	17.6	(1,-1,3)
31.15	2.8710	4.0	(2,0,0)
32.06	2.7914	7.7	(2,-1,2)
32.06	2.7914	7.7	(1,1,2)
32.28	2.7734	22.3	(2,-2,0)
32.28	2.7734	22.3	(0,2,0)
32.29	2.7722	4.9	(2,0,1)
32.89	2.7231	8.1	(1,-2,2)

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Energy Properties

Formation Energy/atom

0.24478

eV/atom

Energy/atom

-5.79978

eV/atom

Energy above Hull

0.2448

eV/atom

Uncorrected Energy

-1.6588

eV/atom

Volume/atom

24.24

Å³

c/a Ratio

1.6261

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0420

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000110

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

0.5521

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

15.953%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1929

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

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.659

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgniu

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1028424

Reference Citation

The crystal structure and related material properties of CsMg14Co were obtained from the Materials Project database (MP-ID: mp-1028424, 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_CsMg14Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.55760238
_cell_length_b   6.33488309
_cell_length_c   10.66318141
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   118.88271971
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsMg14Co
_chemical_formula_sum   'Cs1 Mg14 Co1'
_cell_volume   387.86564684
_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
  Cs  Cs0  1  0.09370369  0.79685134  0.12500000  1.0
  Mg  Mg1  1  0.16427057  0.33213478  0.62500000  1.0
  Mg  Mg2  1  0.17871418  0.83935659  0.62500000  1.0
  Mg  Mg3  1  0.60083476  0.30221218  0.12500000  1.0
  Mg  Mg4  1  0.66519665  0.32545880  0.62500000  1.0
  Mg  Mg5  1  0.60083476  0.79862158  0.12500000  1.0
  Mg  Mg6  1  0.66519665  0.83973685  0.62500000  1.0
  Mg  Mg7  1  0.34963983  0.18481832  0.38087204  1.0
  Mg  Mg8  1  0.34963983  0.18481832  0.86912796  1.0
  Mg  Mg9  1  0.34963983  0.66482251  0.38087204  1.0
  Mg  Mg10  1  0.34963983  0.66482251  0.86912796  1.0
  Mg  Mg11  1  0.86774784  0.18387442  0.34366399  1.0
  Mg  Mg12  1  0.86774784  0.18387442  0.90633601  1.0
  Mg  Mg13  1  0.83046858  0.66523479  0.40620177  1.0
  Mg  Mg14  1  0.83046858  0.66523479  0.84379823  1.0
  Co  Co15  1  0.23625657  0.36812779  0.12500000  1.0

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