SrMg14C

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1026551 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

SrMg14C

MP-ID

mp-1026551

Elements

Sites

Density

1.9722

g/cm³

Volume

370.38

Å³

Cell a

6.4889

Cell b

6.4889

Cell c

10.1573

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
8.71	10.1573	6.9	(0,0,0,1)
15.77	5.6195	8.6	(1,0,-1,0)
17.46	5.0786	2.7	(0,0,0,2)
18.04	4.9172	17.5	(1,0,-1,1)
23.61	3.7679	2.5	(1,0,-1,2)
23.61	3.7679	1.3	(0,1,-1,2)
26.32	3.3858	6.3	(0,0,0,3)
27.49	3.2444	1.8	(2,-1,-1,0)
28.89	3.0906	3.5	(2,-1,-1,1)
28.89	3.0906	6.9	(1,1,-2,1)
30.83	2.9001	13.1	(1,0,-1,3)
31.85	2.8098	26.6	(2,0,-2,0)
32.75	2.7341	1.8	(2,-1,-1,2)
33.08	2.7081	7.8	(2,0,-2,1)
35.35	2.5393	20.7	(0,0,0,4)
36.55	2.4586	100.0	(2,0,-2,2)
38.92	2.3140	1.3	(1,0,-1,4)
41.78	2.1622	2.7	(2,0,-2,3)
43.53	2.0790	3.7	(3,-1,-2,1)
43.53	2.0790	1.9	(1,2,-3,1)
45.35	1.9997	1.4	(2,-1,-1,4)
46.34	1.9595	1.9	(2,1,-3,2)
47.60	1.9105	1.0	(1,0,-1,5)
48.31	1.8840	14.2	(2,0,-2,4)

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Energy Properties

Formation Energy/atom

0.32276

eV/atom

Energy/atom

-4.89368

eV/atom

Energy above Hull

0.3479

eV/atom

Uncorrected Energy

-1.7560

eV/atom

Volume/atom

23.15

Å³

c/a Ratio

1.5653

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0000

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

0.5441

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

14.542%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3181

smaller = more stable mixing

VEC

2.125

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-7.875

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)

aaacgkot

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1026551

Reference Citation

The crystal structure and related material properties of SrMg14C were obtained from the Materials Project database (MP-ID: mp-1026551, 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_SrMg14C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.48887730
_cell_length_b   6.48887675
_cell_length_c   10.15728990
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000280
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrMg14C
_chemical_formula_sum   'Sr1 Mg14 C1'
_cell_volume   370.38002328
_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
  Sr  Sr0  1  0.16666700  0.33333300  0.12500000  1.0
  Mg  Mg1  1  0.18271753  0.84135827  0.12500000  1.0
  Mg  Mg2  1  0.14905462  0.82452681  0.62500000  1.0
  Mg  Mg3  1  0.65864173  0.31728247  0.12500000  1.0
  Mg  Mg4  1  0.67547319  0.35094538  0.62500000  1.0
  Mg  Mg5  1  0.65864173  0.84135827  0.12500000  1.0
  Mg  Mg6  1  0.67547319  0.82452681  0.62500000  1.0
  Mg  Mg7  1  0.32603738  0.17396262  0.40696119  1.0
  Mg  Mg8  1  0.32603738  0.17396262  0.84303881  1.0
  Mg  Mg9  1  0.32603738  0.65207577  0.40696119  1.0
  Mg  Mg10  1  0.32603738  0.65207577  0.84303881  1.0
  Mg  Mg11  1  0.84792423  0.17396262  0.40696119  1.0
  Mg  Mg12  1  0.84792423  0.17396262  0.84303881  1.0
  Mg  Mg13  1  0.83333300  0.66666700  0.36354524  1.0
  Mg  Mg14  1  0.83333300  0.66666700  0.88645476  1.0
  C  C15  1  0.16666700  0.33333300  0.62500000  1.0

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