Sr2Mg
传统材料 TRAMP-ID: mp-1094294 · Space group: P6_3/mmc (#194)
Basic Information
Formula
Sr2Mg
MP-ID
mp-1094294
Elements
2
Sites
6
Density
2.4301
g/cm³
Volume
272.71
ų
Cell a
4.2551
Å
Cell b
4.2551
Å
Cell c
17.3923
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P6_3/mmc
Point Group
6/mmm
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 |
|---|---|---|---|
| 10.17 | 8.6961 | 4.9 | (0,0,0,2) |
| 20.43 | 4.3481 | 18.5 | (0,0,0,4) |
| 24.15 | 3.6850 | 28.1 | (1,0,-1,0) |
| 24.70 | 3.6050 | 23.4 | (1,0,-1,1) |
| 28.71 | 3.1099 | 100.0 | (1,0,-1,3) |
| 30.85 | 2.8987 | 14.0 | (0,0,0,6) |
| 31.83 | 2.8112 | 9.2 | (1,0,-1,4) |
| 39.56 | 2.2783 | 10.6 | (1,0,-1,6) |
| 41.54 | 2.1740 | 1.4 | (0,0,0,8) |
| 42.49 | 2.1275 | 24.7 | (2,-1,-1,0) |
| 43.95 | 2.0601 | 16.6 | (1,0,-1,7) |
| 47.58 | 1.9110 | 11.9 | (2,-1,-1,4) |
| 48.63 | 1.8725 | 1.3 | (1,0,-1,8) |
| 49.47 | 1.8425 | 3.9 | (2,0,-2,0) |
| 49.76 | 1.8322 | 3.5 | (2,0,-2,1) |
| 52.08 | 1.7560 | 18.5 | (2,0,-2,3) |
| 52.62 | 1.7392 | 2.4 | (0,0,0,10) |
| 53.42 | 1.7151 | 5.8 | (1,1,-2,6) |
| 53.42 | 1.7151 | 11.5 | (2,-1,-1,6) |
| 53.55 | 1.7114 | 7.6 | (1,0,-1,9) |
| 54.06 | 1.6965 | 2.0 | (2,0,-2,4) |
| 58.70 | 1.5728 | 2.6 | (1,0,-1,10) |
| 59.44 | 1.5550 | 3.1 | (2,0,-2,6) |
| 60.93 | 1.5206 | 2.6 | (2,-1,-1,8) |
Energy Properties
Formation Energy/atom
0.09548
eV/atom
Energy/atom
-11.39140
eV/atom
Energy above Hull
0.1406
eV/atom
Uncorrected Energy
-1.5654
eV/atom
Volume/atom
45.45
ų
c/a Ratio
4.0874
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0369
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000140
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Sr · 0.667
Element Family
N/A
Solute Fraction
0.333
Interstitial Fraction
0.000
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-1094294
Reference Citation
The crystal structure and related material properties of Sr2Mg were obtained from the Materials Project database (MP-ID: mp-1094294, 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 4.25505995
_cell_length_b 4.25505995
_cell_length_c 17.39226700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999926
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sr2Mg
_chemical_formula_sum 'Sr4 Mg2'
_cell_volume 272.70819945
_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 0.33333300 0.66666700 0.90003900 1.0
Sr Sr1 1 0.33333300 0.66666700 0.59996100 1.0
Sr Sr2 1 0.66666700 0.33333300 0.40003900 1.0
Sr Sr3 1 0.66666700 0.33333300 0.09996100 1.0
Mg Mg4 1 0.66666700 0.33333300 0.75000000 1.0
Mg Mg5 1 0.33333300 0.66666700 0.25000000 1.0
