Sr3Mg
Traditional Materials TRAMP-ID: mp-1094688 · Space group: P-6m2 (#187)
Basic Information
Formula
Sr3Mg
MP-ID
mp-1094688
Elements
2
Sites
4
Density
2.5133
g/cm³
Volume
189.73
ų
Cell a
4.2078
Å
Cell b
4.2078
Å
Cell c
12.3734
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P-6m2
Point Group
-6m2
Crystal System
Hexagonal
Bravais Lattice
hP
Stability
No
Packing Fraction
0.7405
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 |
|---|---|---|---|
| 7.14 | 12.3734 | 3.4 | (0,0,0,1) |
| 14.32 | 6.1867 | 3.0 | (0,0,0,2) |
| 21.55 | 4.1245 | 16.7 | (0,0,0,3) |
| 24.43 | 3.6441 | 30.9 | (1,0,-1,0) |
| 25.48 | 3.4956 | 11.9 | (1,0,-1,1) |
| 25.48 | 3.4956 | 5.9 | (1,-1,0,1) |
| 28.43 | 3.1399 | 100.0 | (1,0,-1,2) |
| 28.86 | 3.0933 | 14.6 | (0,0,0,4) |
| 32.79 | 2.7309 | 7.0 | (1,0,-1,3) |
| 32.79 | 2.7309 | 3.5 | (1,-1,0,3) |
| 36.30 | 2.4747 | 1.3 | (0,0,0,5) |
| 38.16 | 2.3583 | 10.3 | (1,0,-1,4) |
| 42.99 | 2.1039 | 7.9 | (1,1,-2,0) |
| 42.99 | 2.1039 | 15.8 | (2,-1,-1,0) |
| 44.24 | 2.0472 | 13.2 | (1,0,-1,5) |
| 44.24 | 2.0472 | 6.6 | (1,-1,0,5) |
| 45.54 | 1.9919 | 1.0 | (2,-1,-1,2) |
| 48.58 | 1.8742 | 3.8 | (1,1,-2,3) |
| 48.58 | 1.8742 | 7.6 | (2,-1,-1,3) |
| 50.06 | 1.8221 | 2.9 | (2,0,-2,0) |
| 50.06 | 1.8221 | 1.4 | (2,-2,0,0) |
| 50.64 | 1.8026 | 1.8 | (2,0,-2,1) |
| 50.88 | 1.7948 | 6.9 | (1,0,-1,6) |
| 51.72 | 1.7676 | 3.1 | (0,0,0,7) |
Energy Properties
Formation Energy/atom
0.07344
eV/atom
Energy/atom
-12.32813
eV/atom
Energy above Hull
0.1073
eV/atom
Uncorrected Energy
-1.5946
eV/atom
Volume/atom
47.43
ų
c/a Ratio
2.9406
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0007
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Sr · 0.750
Element Family
N/A
Solute Fraction
0.250
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.650
Family
Binary Alloy
Matrix Element
Sr · 0.750
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1094688
Reference Citation
The crystal structure and related material properties of Sr3Mg were obtained from the Materials Project database (MP-ID: mp-1094688, 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_Sr3Mg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.20783525
_cell_length_b 4.20783525
_cell_length_c 12.37334800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99998814
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sr3Mg
_chemical_formula_sum 'Sr3 Mg1'
_cell_volume 189.72971978
_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 0.66666700 0.33333300 0.00000000 1.0
Sr Sr1 1 0.00000000 0.00000000 0.28473000 1.0
Sr Sr2 1 0.00000000 0.00000000 0.71527000 1.0
Mg Mg3 1 0.66666700 0.33333300 0.50000000 1.0
