SrMg14Nb

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1026571 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

SrMg14Nb

MP-ID

mp-1026571

Elements

Sites

Density

2.2699

g/cm³

Volume

380.99

Å³

Cell a

6.5565

Cell b

6.5565

Cell c

10.2339

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
8.64	10.2339	1.3	(0,0,0,1)
15.61	5.6781	31.3	(1,0,-1,0)
17.33	5.1170	8.7	(0,0,0,2)
23.40	3.8012	24.3	(1,0,-1,2)
27.20	3.2783	8.4	(2,-1,-1,0)
31.51	2.8391	28.5	(2,0,-2,0)
32.43	2.7604	10.4	(2,-1,-1,2)
35.07	2.5585	22.8	(0,0,0,4)
36.18	2.4825	100.0	(2,0,-2,2)
38.60	2.3326	6.4	(1,0,-1,4)
42.10	2.1461	1.7	(3,-1,-2,0)
42.10	2.1461	3.4	(2,1,-3,0)
44.94	2.0169	4.5	(2,-1,-1,4)
45.85	1.9791	8.1	(3,-1,-2,2)
47.86	1.9006	11.3	(2,0,-2,4)
47.86	1.9006	5.7	(0,2,-2,4)
48.07	1.8927	1.2	(3,0,-3,0)
51.48	1.7752	2.8	(3,0,-3,2)
55.92	1.6443	4.2	(3,-1,-2,4)
56.11	1.6391	5.9	(4,-2,-2,0)
56.11	1.6391	11.8	(2,2,-4,0)
56.32	1.6335	2.3	(1,0,-1,6)
58.62	1.5748	1.9	(4,-1,-3,0)
59.19	1.5610	1.9	(4,-2,-2,2)

Get direct link

Energy Properties

Formation Energy/atom

0.16006

eV/atom

Energy/atom

-2.00371

eV/atom

Energy above Hull

0.1746

eV/atom

Uncorrected Energy

-2.0037

eV/atom

Volume/atom

23.81

Å³

c/a Ratio

1.5609

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.1286

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000340

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

4.9394

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

6.478%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1155

smaller = more stable mixing

VEC

2.188

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-0.815

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.706

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgkpn

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1026571

Reference Citation

The crystal structure and related material properties of SrMg14Nb were obtained from the Materials Project database (MP-ID: mp-1026571, 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_SrMg14Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.55652149
_cell_length_b   6.55652093
_cell_length_c   10.23390765
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000276
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrMg14Nb
_chemical_formula_sum   'Sr1 Mg14 Nb1'
_cell_volume   380.99480532
_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  0.17691431  0.83845665  0.12500000  1.0
  Mg  Mg2  1  0.16425711  0.83212806  0.62500000  1.0
  Mg  Mg3  1  0.66154335  0.32308569  0.12500000  1.0
  Mg  Mg4  1  0.66787194  0.33574289  0.62500000  1.0
  Mg  Mg5  1  0.66154335  0.83845665  0.12500000  1.0
  Mg  Mg6  1  0.66787194  0.83212806  0.62500000  1.0
  Mg  Mg7  1  0.33290786  0.16709214  0.39234958  1.0
  Mg  Mg8  1  0.33290786  0.16709214  0.85765042  1.0
  Mg  Mg9  1  0.33290786  0.66581673  0.39234958  1.0
  Mg  Mg10  1  0.33290786  0.66581673  0.85765042  1.0
  Mg  Mg11  1  0.83418327  0.16709214  0.39234958  1.0
  Mg  Mg12  1  0.83418327  0.16709214  0.85765042  1.0
  Mg  Mg13  1  0.83333300  0.66666700  0.36904388  1.0
  Mg  Mg14  1  0.83333300  0.66666700  0.88095612  1.0
  Nb  Nb15  1  0.16666700  0.33333300  0.62500000  1.0

Get direct link