NaMg14C

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1026655 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

NaMg14C

MP-ID

mp-1026655

Elements

Sites

Density

1.7957

g/cm³

Volume

347.03

Å³

Cell a

6.3212

Cell b

6.3212

Cell c

10.0288

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 22)

2θ	d (Å)	I	hkl
24.07	3.6976	1.5	(1,0,-1,2)
26.67	3.3429	1.9	(0,0,0,3)
31.35	2.8530	2.3	(1,0,-1,3)
32.72	2.7371	16.9	(2,0,-2,0)
32.72	2.7371	8.4	(0,2,-2,0)
35.82	2.5072	23.2	(0,0,0,4)
37.43	2.4025	100.0	(2,0,-2,2)
42.69	2.1178	1.6	(2,0,-2,3)
49.29	1.8488	8.8	(2,0,-2,4)
49.29	1.8488	4.4	(0,2,-2,4)
56.91	1.6179	2.4	(2,0,-2,5)
58.40	1.5803	5.7	(4,-2,-2,0)
58.40	1.5803	11.5	(2,2,-4,0)
65.42	1.4265	13.7	(2,0,-2,6)
68.57	1.3686	2.5	(4,0,-4,0)
70.43	1.3369	5.5	(4,-2,-2,4)
70.43	1.3369	11.1	(2,2,-4,4)
71.45	1.3203	8.6	(4,0,-4,2)
71.45	1.3203	4.3	(0,4,-4,2)
75.90	1.2536	1.5	(0,0,0,8)
79.85	1.2013	1.8	(4,-4,0,4)
85.13	1.1397	1.9	(2,0,-2,8)

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Energy Properties

Formation Energy/atom

0.32825

eV/atom

Energy/atom

-4.16435

eV/atom

Energy above Hull

0.3283

eV/atom

Uncorrected Energy

-1.7524

eV/atom

Volume/atom

21.69

Å³

c/a Ratio

1.5865

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0001

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

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

0.063

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

0.4134

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

13.712%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3197

smaller = more stable mixing

VEC

2.063

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-9.970

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.623

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgkst

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1026655

Reference Citation

The crystal structure and related material properties of NaMg14C were obtained from the Materials Project database (MP-ID: mp-1026655, 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_NaMg14C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.32115155
_cell_length_b   6.32115104
_cell_length_c   10.02875160
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000261
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMg14C
_chemical_formula_sum   'Na1 Mg14 C1'
_cell_volume   347.03227339
_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
  Na  Na0  1  0.16666700  0.33333300  0.12500000  1.0
  Mg  Mg1  1  0.17500403  0.83750151  0.12500000  1.0
  Mg  Mg2  1  0.15623985  0.82811942  0.62500000  1.0
  Mg  Mg3  1  0.66249849  0.32499597  0.12500000  1.0
  Mg  Mg4  1  0.67188058  0.34376015  0.62500000  1.0
  Mg  Mg5  1  0.66249849  0.83750151  0.12500000  1.0
  Mg  Mg6  1  0.67188058  0.82811942  0.62500000  1.0
  Mg  Mg7  1  0.32645413  0.17354587  0.39726287  1.0
  Mg  Mg8  1  0.32645413  0.17354587  0.85273713  1.0
  Mg  Mg9  1  0.32645413  0.65290926  0.39726287  1.0
  Mg  Mg10  1  0.32645413  0.65290926  0.85273713  1.0
  Mg  Mg11  1  0.84709074  0.17354587  0.39726287  1.0
  Mg  Mg12  1  0.84709074  0.17354587  0.85273713  1.0
  Mg  Mg13  1  0.83333300  0.66666700  0.36976437  1.0
  Mg  Mg14  1  0.83333300  0.66666700  0.88023563  1.0
  C  C15  1  0.16666700  0.33333300  0.62500000  1.0

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