SrMg6Ti
High-Entropy Materials HEA Traditional Materials TRAMP-ID: mp-1021571 · Space group: Amm2 (#38)
Basic Information
Formula
SrMg6Ti
MP-ID
mp-1021571
Elements
3
Sites
16
Density
2.3241
g/cm³
Volume
401.99
ų
Cell a
5.2246
Å
Cell b
6.7139
Å
Cell c
11.4602
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Amm2
Point Group
mm2
Crystal System
Orthorhombic
Bravais Lattice
oC
Stability
No
Packing Fraction
-
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 15.30 | 5.7930 | 29.1 | (0,1,1) |
| 15.46 | 5.7301 | 4.2 | (0,0,2) |
| 16.97 | 5.2246 | 3.5 | (1,0,0) |
| 22.92 | 3.8798 | 18.3 | (1,1,1) |
| 23.04 | 3.8607 | 17.0 | (1,0,2) |
| 26.55 | 3.3569 | 6.1 | (0,2,0) |
| 26.85 | 3.3202 | 3.5 | (0,1,3) |
| 30.87 | 2.8965 | 18.5 | (0,2,2) |
| 31.22 | 2.8651 | 17.4 | (0,0,4) |
| 31.68 | 2.8242 | 1.7 | (1,2,0) |
| 31.94 | 2.8023 | 13.1 | (1,1,3) |
| 34.33 | 2.6123 | 34.4 | (2,0,0) |
| 35.43 | 2.5332 | 100.0 | (1,2,2) |
| 35.74 | 2.5121 | 37.5 | (1,0,4) |
| 37.78 | 2.3814 | 6.1 | (2,1,1) |
| 37.85 | 2.3770 | 1.0 | (2,0,2) |
| 41.09 | 2.1965 | 3.4 | (0,3,1) |
| 41.43 | 2.1793 | 3.6 | (0,2,4) |
| 41.64 | 2.1691 | 3.9 | (0,1,5) |
| 43.92 | 2.0616 | 3.0 | (2,2,0) |
| 44.11 | 2.0531 | 1.9 | (2,1,3) |
| 44.76 | 2.0248 | 2.1 | (1,3,1) |
| 45.08 | 2.0113 | 2.1 | (1,2,4) |
| 46.83 | 1.9399 | 11.3 | (2,2,2) |
Energy Properties
Formation Energy/atom
0.22278
eV/atom
Energy/atom
-2.19856
eV/atom
Energy above Hull
0.2518
eV/atom
Uncorrected Energy
-2.1986
eV/atom
Volume/atom
25.12
ų
c/a Ratio
2.1935
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
3.2949
μB
Mag. Ordering
FM
Mag. Sites
1
Magnetization/Volume
0.008200
μB/ų
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
0.000
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
1.2420
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
8.864%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.1502
smaller = more stable mixing
VEC
2.250
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
5.250
kJ/mol; negative = exothermic mixing
Entropy Norm
0.6696
SS Former
0
Phase Tendency
IM
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
C
Score
0.621
Family
Mg-based Alloy
Matrix Element
Mg · 0.750
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1021571
Reference Citation
The crystal structure and related material properties of SrMg6Ti were obtained from the Materials Project database (MP-ID: mp-1021571, 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_SrMg6Ti
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.22464100
_cell_length_b 6.71384500
_cell_length_c 11.46021700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SrMg6Ti
_chemical_formula_sum 'Sr2 Mg12 Ti2'
_cell_volume 401.99495794
_cell_formula_units_Z 2
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 0.50000000 0.50000000 0.16028300 1.0
Sr Sr1 1 0.50000000 0.00000000 0.66028300 1.0
Mg Mg2 1 0.00000000 0.23281100 0.08025900 1.0
Mg Mg3 1 0.00000000 0.76718900 0.08025900 1.0
Mg Mg4 1 0.00000000 0.50000000 0.83974800 1.0
Mg Mg5 1 0.50000000 0.23019300 0.91173500 1.0
Mg Mg6 1 0.50000000 0.76980700 0.91173500 1.0
Mg Mg7 1 0.50000000 0.50000000 0.66578500 1.0
Mg Mg8 1 0.00000000 0.73281100 0.58025900 1.0
Mg Mg9 1 0.00000000 0.26718900 0.58025900 1.0
Mg Mg10 1 0.00000000 0.00000000 0.33974800 1.0
Mg Mg11 1 0.50000000 0.73019300 0.41173500 1.0
Mg Mg12 1 0.50000000 0.26980700 0.41173500 1.0
Mg Mg13 1 0.50000000 0.00000000 0.16578500 1.0
Ti Ti14 1 0.00000000 0.50000000 0.35019600 1.0
Ti Ti15 1 0.00000000 0.00000000 0.85019600 1.0
