Sr2Mg
Traditional Materials TRAMP-ID: mp-1094303 · Space group: P-6m2 (#187)
Basic Information
Formula
Sr2Mg
MP-ID
mp-1094303
Elements
2
Sites
6
Density
2.4298
g/cm³
Volume
272.74
ų
Cell a
4.2573
Å
Cell b
4.2573
Å
Cell c
17.3758
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 |
|---|---|---|---|
| 5.09 | 17.3758 | 3.6 | (0,0,0,1) |
| 15.30 | 5.7919 | 6.1 | (0,0,0,3) |
| 20.44 | 4.3440 | 13.0 | (0,0,0,4) |
| 24.14 | 3.6869 | 39.1 | (1,0,-1,0) |
| 24.68 | 3.6066 | 8.9 | (1,0,-1,1) |
| 25.63 | 3.4752 | 6.7 | (0,0,0,5) |
| 26.26 | 3.3940 | 14.6 | (1,0,-1,2) |
| 28.70 | 3.1102 | 100.0 | (1,0,-1,3) |
| 30.88 | 2.8960 | 9.8 | (0,0,0,6) |
| 31.84 | 2.8110 | 11.6 | (1,0,-1,4) |
| 35.50 | 2.5289 | 4.3 | (1,0,-1,5) |
| 36.19 | 2.4823 | 3.2 | (0,0,0,7) |
| 39.57 | 2.2774 | 7.5 | (1,0,-1,6) |
| 42.47 | 2.1286 | 26.7 | (2,-1,-1,0) |
| 43.97 | 2.0591 | 18.8 | (1,0,-1,7) |
| 45.39 | 1.9980 | 2.4 | (2,-1,-1,3) |
| 47.57 | 1.9115 | 8.4 | (2,-1,-1,4) |
| 48.65 | 1.8714 | 4.3 | (1,0,-1,8) |
| 49.44 | 1.8435 | 5.5 | (2,0,-2,0) |
| 49.74 | 1.8332 | 1.3 | (2,0,-2,1) |
| 50.26 | 1.8152 | 6.2 | (2,-1,-1,5) |
| 50.62 | 1.8033 | 2.4 | (2,0,-2,2) |
| 52.06 | 1.7566 | 18.5 | (2,0,-2,3) |
| 52.68 | 1.7376 | 2.6 | (0,0,0,10) |
Energy Properties
Formation Energy/atom
0.09481
eV/atom
Energy/atom
-11.39206
eV/atom
Energy above Hull
0.1399
eV/atom
Uncorrected Energy
-1.5661
eV/atom
Volume/atom
45.46
ų
c/a Ratio
4.0814
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.1983
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000730
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Sr · 0.667
Element Family
N/A
Solute Fraction
0.333
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.609
Family
Binary Alloy
Matrix Element
Sr · 0.667
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1094303
Reference Citation
The crystal structure and related material properties of Sr2Mg were obtained from the Materials Project database (MP-ID: mp-1094303, 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_Sr2Mg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.25728615
_cell_length_b 4.25728615
_cell_length_c 17.37582900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000233
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sr2Mg
_chemical_formula_sum 'Sr4 Mg2'
_cell_volume 272.73560588
_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 0.00000000 0.00000000 0.00000000 1.0
Sr Sr1 1 0.33333300 0.66666700 0.80008000 1.0
Sr Sr2 1 0.33333300 0.66666700 0.50000000 1.0
Sr Sr3 1 0.33333300 0.66666700 0.19992000 1.0
Mg Mg4 1 0.00000000 0.00000000 0.64951000 1.0
Mg Mg5 1 0.00000000 0.00000000 0.35049000 1.0
