SrMg14Cd

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1026555 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

SrMg14Cd

MP-ID

mp-1026555

Elements

Sites

Density

2.2814

g/cm³

Volume

393.26

Å³

Cell a

6.5530

Cell b

6.5530

Cell c

10.5747

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
8.36	10.5747	2.7	(0,0,0,1)
15.61	5.6751	33.9	(1,0,-1,0)
16.77	5.2873	10.5	(0,0,0,2)
17.74	5.0005	2.1	(1,0,-1,1)
22.99	3.8685	31.5	(1,0,-1,2)
27.22	3.2765	3.3	(2,-1,-1,0)
27.22	3.2765	6.6	(1,1,-2,0)
31.53	2.8376	28.5	(2,0,-2,0)
32.14	2.7851	12.8	(2,-1,-1,2)
33.91	2.6437	25.0	(0,0,0,4)
35.92	2.5003	100.0	(2,0,-2,2)
37.53	2.3964	7.9	(1,0,-1,4)
42.13	2.1450	6.8	(3,-1,-2,0)
44.01	2.0575	5.5	(2,-1,-1,4)
45.64	1.9877	8.6	(3,-1,-2,2)
46.98	1.9343	18.1	(2,0,-2,4)
48.10	1.8917	2.0	(3,0,-3,0)
51.29	1.7811	3.4	(3,0,-3,2)
54.52	1.6832	3.0	(1,0,-1,6)
55.14	1.6657	3.9	(3,-1,-2,4)
55.14	1.6657	2.0	(1,2,-3,4)
56.14	1.6383	5.7	(4,-2,-2,0)
56.14	1.6383	11.4	(2,2,-4,0)
58.65	1.5740	1.4	(3,1,-4,0)

Get direct link

Energy Properties

Formation Energy/atom

0.05501

eV/atom

Energy/atom

-1.53742

eV/atom

Energy above Hull

0.0931

eV/atom

Uncorrected Energy

-1.5374

eV/atom

Volume/atom

24.58

Å³

c/a Ratio

1.6137

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0110

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000030

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

0.8770

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

6.215%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1309

smaller = more stable mixing

VEC

2.625

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-3.999

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.720

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgkox

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1026555

Reference Citation

The crystal structure and related material properties of SrMg14Cd were obtained from the Materials Project database (MP-ID: mp-1026555, 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_SrMg14Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.55303435
_cell_length_b   6.55303379
_cell_length_c   10.57466009
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000280
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrMg14Cd
_chemical_formula_sum   'Sr1 Mg14 Cd1'
_cell_volume   393.26191288
_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  0.17836035  0.83917967  0.12500000  1.0
  Mg  Mg2  1  0.16382110  0.83191005  0.62500000  1.0
  Mg  Mg3  1  0.66082033  0.32163965  0.12500000  1.0
  Mg  Mg4  1  0.66808995  0.33617890  0.62500000  1.0
  Mg  Mg5  1  0.66082033  0.83917967  0.12500000  1.0
  Mg  Mg6  1  0.66808995  0.83191005  0.62500000  1.0
  Mg  Mg7  1  0.33709122  0.16290878  0.38762597  1.0
  Mg  Mg8  1  0.33709122  0.16290878  0.86237403  1.0
  Mg  Mg9  1  0.33709122  0.67418343  0.38762597  1.0
  Mg  Mg10  1  0.33709122  0.67418343  0.86237403  1.0
  Mg  Mg11  1  0.82581657  0.16290878  0.38762597  1.0
  Mg  Mg12  1  0.82581657  0.16290878  0.86237403  1.0
  Mg  Mg13  1  0.83333300  0.66666700  0.36956341  1.0
  Mg  Mg14  1  0.83333300  0.66666700  0.88043659  1.0
  Cd  Cd15  1  0.16666700  0.33333300  0.62500000  1.0

Get direct link