SrMg
传统材料 TRAMP-ID: mp-1094774 · Space group: P-6m2 (#187)
Basic Information
Formula
SrMg
MP-ID
mp-1094774
Elements
2
Sites
2
Density
2.3389
g/cm³
Volume
79.46
ų
Cell a
4.0517
Å
Cell b
4.0517
Å
Cell c
5.5894
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 |
|---|---|---|---|
| 15.86 | 5.5894 | 27.4 | (0,0,0,1) |
| 25.38 | 3.5089 | 14.7 | (1,-1,0,0) |
| 25.38 | 3.5089 | 29.4 | (1,0,-1,0) |
| 30.07 | 2.9718 | 100.0 | (1,0,-1,1) |
| 32.03 | 2.7947 | 17.1 | (0,0,0,2) |
| 41.30 | 2.1861 | 24.0 | (1,0,-1,2) |
| 44.73 | 2.0258 | 19.9 | (2,-1,-1,0) |
| 47.75 | 1.9046 | 10.0 | (2,-1,-1,1) |
| 48.88 | 1.8631 | 1.5 | (0,0,0,3) |
| 52.13 | 1.7544 | 6.0 | (2,0,-2,0) |
| 54.85 | 1.6739 | 5.9 | (2,-2,0,1) |
| 54.85 | 1.6739 | 11.9 | (2,0,-2,1) |
| 55.87 | 1.6455 | 16.8 | (1,0,-1,3) |
| 56.07 | 1.6402 | 13.4 | (2,-1,-1,2) |
| 56.07 | 1.6402 | 6.7 | (1,1,-2,2) |
| 62.51 | 1.4859 | 2.3 | (2,-2,0,2) |
| 62.51 | 1.4859 | 4.7 | (2,0,-2,2) |
| 66.97 | 1.3974 | 2.0 | (0,0,0,4) |
| 68.41 | 1.3714 | 3.5 | (2,-1,-1,3) |
| 71.08 | 1.3262 | 3.2 | (3,-1,-2,0) |
| 71.08 | 1.3262 | 1.6 | (2,1,-3,0) |
| 72.86 | 1.2982 | 4.5 | (1,0,-1,4) |
| 73.37 | 1.2904 | 9.9 | (3,-1,-2,1) |
| 73.37 | 1.2904 | 5.0 | (2,1,-3,1) |
Energy Properties
Formation Energy/atom
0.13328
eV/atom
Energy/atom
-9.52420
eV/atom
Energy above Hull
0.2009
eV/atom
Uncorrected Energy
-1.5133
eV/atom
Volume/atom
39.73
ų
c/a Ratio
1.3795
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0378
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000480
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Sr · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.490
Family
Binary Alloy
Matrix Element
Sr · 0.500
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1094774
Reference Citation
The crystal structure and related material properties of SrMg were obtained from the Materials Project database (MP-ID: mp-1094774, 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_SrMg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.05167434
_cell_length_b 4.05167434
_cell_length_c 5.58938000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000549
_symmetry_Int_Tables_number 1
_chemical_formula_structural SrMg
_chemical_formula_sum 'Sr1 Mg1'
_cell_volume 79.46269778
_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 0.00000000 0.00000000 0.00000000 1.0
Mg Mg1 1 0.66666700 0.33333300 0.50000000 1.0
