SrMg6C

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1016428 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

SrMg6C

MP-ID

mp-1016428

Elements

Sites

Density

2.1619

g/cm³

Volume

188.54

Å³

Cell a

7.7412

Cell b

7.7412

Cell c

4.5275

α Angle

90.00

β Angle

90.00

γ Angle

135.98

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
12.33	7.1770	10.5	(1,-1,0)
16.48	5.3794	51.3	(1,0,0)
19.61	4.5275	7.9	(0,0,1)
23.23	3.8292	7.0	(1,-1,1)
24.11	3.6914	32.9	(2,-1,0)
24.81	3.5885	3.4	(2,-2,0)
25.72	3.4639	59.4	(1,0,1)
30.82	2.9011	2.7	(1,1,0)
31.26	2.8610	51.1	(2,-1,1)
31.82	2.8123	100.0	(2,-2,1)
33.31	2.6897	43.8	(2,0,0)
34.87	2.5731	30.0	(3,-2,0)
36.80	2.4427	2.9	(1,1,1)
37.60	2.3923	2.2	(3,-3,0)
38.95	2.3124	80.9	(2,0,1)
39.82	2.2637	35.3	(0,0,2)
39.96	2.2561	1.5	(3,-1,0)
40.32	2.2370	6.8	(3,-2,1)
41.84	2.1589	1.1	(1,-1,2)
42.75	2.1152	1.3	(3,-3,1)
43.37	2.0865	9.2	(1,0,2)
47.00	1.9334	6.5	(4,-3,0)
47.09	1.9298	10.2	(2,-1,2)
47.43	1.9168	5.3	(2,1,0)

Get direct link

Energy Properties

Formation Energy/atom

0.39987

eV/atom

Energy/atom

-5.86372

eV/atom

Energy above Hull

0.4491

eV/atom

Uncorrected Energy

-2.1584

eV/atom

Volume/atom

23.57

Å³

c/a Ratio

0.5849

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0006

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 · 0.750

Element Family

Alkali-AlkEarth

Solute Fraction

0.250

Interstitial Fraction

0.125

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.7356

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

6.1160

J/mol·K

Ω Parameter

0.5896

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

20.778%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4431

smaller = more stable mixing

VEC

2.250

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-13.500

kJ/mol; negative = exothermic mixing

Entropy Norm

0.6696

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.589

Family

Mg-based Alloy

Matrix Element

Mg · 0.750

Related Tasks

Related computation task IDs (1)

aaaeahpz

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1016428

Reference Citation

The crystal structure and related material properties of SrMg6C were obtained from the Materials Project database (MP-ID: mp-1016428, 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_SrMg6C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.74118523
_cell_length_b   7.74118523
_cell_length_c   4.52747400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   135.98076150
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrMg6C
_chemical_formula_sum   'Sr1 Mg6 C1'
_cell_volume   188.53548930
_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  0.79926000  0.20074000  0.50000000  1.0
  Mg  Mg1  1  0.30106900  0.19563900  0.50000000  1.0
  Mg  Mg2  1  0.80436100  0.69893100  0.50000000  1.0
  Mg  Mg3  1  0.18906600  0.35029000  0.00000000  1.0
  Mg  Mg4  1  0.64971000  0.81093400  0.00000000  1.0
  Mg  Mg5  1  0.63752600  0.36247400  0.00000000  1.0
  Mg  Mg6  1  0.18941600  0.81058400  0.00000000  1.0
  C  C7  1  0.42959700  0.57040300  0.50000000  1.0

Get direct link