SrMg
传统材料 TRAMP-ID: mp-1094286 · Space group: P-6m2 (#187)
Basic Information
Formula
SrMg
MP-ID
mp-1094286
Elements
2
Sites
6
Density
2.2509
g/cm³
Volume
247.71
ų
Cell a
4.2529
Å
Cell b
4.2529
Å
Cell c
15.8138
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 |
|---|---|---|---|
| 5.59 | 15.8138 | 29.1 | (0,0,0,1) |
| 11.19 | 7.9069 | 5.1 | (0,0,0,2) |
| 22.49 | 3.9535 | 24.4 | (0,0,0,4) |
| 24.16 | 3.6832 | 48.5 | (1,0,-1,0) |
| 24.82 | 3.5871 | 2.0 | (1,-1,0,1) |
| 24.82 | 3.5871 | 4.1 | (1,0,-1,1) |
| 26.70 | 3.3387 | 100.0 | (1,0,-1,2) |
| 28.22 | 3.1628 | 20.0 | (0,0,0,5) |
| 29.59 | 3.0192 | 23.0 | (1,-1,0,3) |
| 29.59 | 3.0192 | 46.0 | (1,0,-1,3) |
| 33.25 | 2.6949 | 28.8 | (1,0,-1,4) |
| 37.48 | 2.3995 | 14.6 | (1,0,-1,5) |
| 39.91 | 2.2591 | 1.6 | (0,0,0,7) |
| 42.16 | 2.1434 | 2.9 | (1,-1,0,6) |
| 42.16 | 2.1434 | 5.8 | (1,0,-1,6) |
| 42.51 | 2.1265 | 25.7 | (2,-1,-1,0) |
| 42.51 | 2.1265 | 12.9 | (1,1,-2,0) |
| 42.91 | 2.1075 | 1.2 | (2,-1,-1,1) |
| 45.91 | 1.9767 | 3.2 | (0,0,0,8) |
| 47.20 | 1.9257 | 9.2 | (1,-1,0,7) |
| 47.20 | 1.9257 | 18.4 | (1,0,-1,7) |
| 48.62 | 1.8728 | 12.2 | (2,-1,-1,4) |
| 48.62 | 1.8728 | 6.1 | (1,1,-2,4) |
| 49.50 | 1.8416 | 2.3 | (2,-2,0,0) |
Energy Properties
Formation Energy/atom
0.13598
eV/atom
Energy/atom
-9.52150
eV/atom
Energy above Hull
0.2036
eV/atom
Uncorrected Energy
-1.5106
eV/atom
Volume/atom
41.29
ų
c/a Ratio
3.7183
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0077
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000030
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
0.488
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-1094286
Reference Citation
The crystal structure and related material properties of SrMg were obtained from the Materials Project database (MP-ID: mp-1094286, 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 4.25293273
_cell_length_b 4.25293273
_cell_length_c 15.81381300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00001142
_symmetry_Int_Tables_number 1
_chemical_formula_structural SrMg
_chemical_formula_sum 'Sr3 Mg3'
_cell_volume 247.71038153
_cell_formula_units_Z 3
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 0.72306900 1.0
Sr Sr1 1 0.00000000 0.00000000 0.50000000 1.0
Sr Sr2 1 0.66666700 0.33333300 0.27693100 1.0
Mg Mg3 1 0.66666700 0.33333300 0.00000000 1.0
Mg Mg4 1 0.00000000 0.00000000 0.88844200 1.0
Mg Mg5 1 0.00000000 0.00000000 0.11155800 1.0
