SrMg
传统材料 TRAMP-ID: mp-1094712 · Space group: P6_3/mmc (#194)
Basic Information
Formula
SrMg
MP-ID
mp-1094712
Elements
2
Sites
4
Density
1.6676
g/cm³
Volume
222.90
ų
Cell a
6.0198
Å
Cell b
6.0198
Å
Cell c
7.1026
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 |
|---|---|---|---|
| 17.01 | 5.2133 | 98.5 | (1,0,-1,0) |
| 21.14 | 4.2027 | 34.0 | (1,-1,0,1) |
| 21.14 | 4.2027 | 68.0 | (1,0,-1,1) |
| 25.08 | 3.5513 | 51.4 | (0,0,0,2) |
| 29.68 | 3.0099 | 100.0 | (2,-1,-1,0) |
| 30.46 | 2.9350 | 46.7 | (1,0,-1,2) |
| 34.41 | 2.6067 | 5.6 | (2,-2,0,0) |
| 34.41 | 2.6067 | 11.2 | (2,0,-2,0) |
| 36.73 | 2.4471 | 25.3 | (2,0,-2,1) |
| 39.24 | 2.2961 | 93.0 | (2,-1,-1,2) |
| 41.91 | 2.1557 | 17.4 | (1,0,-1,3) |
| 43.05 | 2.1014 | 17.8 | (2,0,-2,2) |
| 46.06 | 1.9705 | 9.7 | (3,-1,-2,0) |
| 46.06 | 1.9705 | 4.8 | (2,1,-3,0) |
| 47.91 | 1.8987 | 23.6 | (3,-1,-2,1) |
| 51.46 | 1.7757 | 6.9 | (0,0,0,4) |
| 52.19 | 1.7526 | 9.1 | (2,0,-2,3) |
| 52.67 | 1.7378 | 19.4 | (3,0,-3,0) |
| 53.16 | 1.7230 | 18.9 | (3,-1,-2,2) |
| 54.60 | 1.6808 | 8.7 | (1,0,-1,4) |
| 59.19 | 1.5609 | 9.1 | (3,-3,0,2) |
| 59.19 | 1.5609 | 18.1 | (3,0,-3,2) |
| 60.54 | 1.5294 | 25.4 | (2,-1,-1,4) |
| 61.20 | 1.5145 | 7.6 | (3,-1,-2,3) |
Energy Properties
Formation Energy/atom
0.49464
eV/atom
Energy/atom
-9.16284
eV/atom
Energy above Hull
0.5623
eV/atom
Uncorrected Energy
-1.1519
eV/atom
Volume/atom
55.73
ų
c/a Ratio
1.1799
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0000
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
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
0.424
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-1094712
Reference Citation
The crystal structure and related material properties of SrMg were obtained from the Materials Project database (MP-ID: mp-1094712, 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 6.01981859
_cell_length_b 6.01981859
_cell_length_c 7.10260100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000653
_symmetry_Int_Tables_number 1
_chemical_formula_structural SrMg
_chemical_formula_sum 'Sr2 Mg2'
_cell_volume 222.90244356
_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 0.25000000 1.0
Sr Sr1 1 0.66666700 0.33333300 0.75000000 1.0
Mg Mg2 1 0.33333300 0.66666700 0.75000000 1.0
Mg Mg3 1 0.66666700 0.33333300 0.25000000 1.0
