SrMg5
Traditional Materials TRAMP-ID: mp-1094321 · Space group: P-6m2 (#187)
Basic Information
Formula
SrMg5
MP-ID
mp-1094321
Elements
2
Sites
6
Density
2.1024
g/cm³
Volume
165.19
ų
Cell a
3.5220
Å
Cell b
3.5220
Å
Cell c
15.3772
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 |
|---|---|---|---|
| 5.75 | 15.3772 | 68.3 | (0,0,0,1) |
| 11.51 | 7.6886 | 20.0 | (0,0,0,2) |
| 17.30 | 5.1257 | 11.7 | (0,0,0,3) |
| 23.14 | 3.8443 | 9.1 | (0,0,0,4) |
| 29.03 | 3.0754 | 8.5 | (0,0,0,5) |
| 29.28 | 3.0501 | 32.8 | (1,0,-1,0) |
| 29.86 | 2.9918 | 16.8 | (1,0,-1,1) |
| 31.56 | 2.8352 | 21.7 | (1,0,-1,2) |
| 34.21 | 2.6212 | 100.0 | (1,0,-1,3) |
| 35.01 | 2.5629 | 16.3 | (0,0,0,6) |
| 37.65 | 2.3894 | 4.3 | (1,0,-1,4) |
| 41.71 | 2.1657 | 8.8 | (1,0,-1,5) |
| 46.27 | 1.9622 | 5.6 | (1,-1,0,6) |
| 46.27 | 1.9622 | 11.2 | (1,0,-1,6) |
| 51.25 | 1.7826 | 2.2 | (1,-1,0,7) |
| 51.25 | 1.7826 | 4.5 | (1,0,-1,7) |
| 51.92 | 1.7610 | 20.3 | (2,-1,-1,0) |
| 52.29 | 1.7496 | 2.3 | (2,-1,-1,1) |
| 53.37 | 1.7165 | 1.8 | (2,-1,-1,2) |
| 53.64 | 1.7086 | 1.2 | (0,0,0,9) |
| 55.15 | 1.6654 | 3.3 | (2,-1,-1,3) |
| 56.60 | 1.6262 | 7.8 | (1,0,-1,8) |
| 57.57 | 1.6010 | 4.4 | (2,-1,-1,4) |
| 60.18 | 1.5377 | 1.1 | (0,0,0,10) |
Energy Properties
Formation Energy/atom
0.15482
eV/atom
Energy/atom
-5.84388
eV/atom
Energy above Hull
0.2128
eV/atom
Uncorrected Energy
-1.4590
eV/atom
Volume/atom
27.53
ų
c/a Ratio
4.3661
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0259
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000160
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Mg · 0.833
Element Family
N/A
Solute Fraction
0.167
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.701
Family
Mg-based Alloy
Matrix Element
Mg · 0.833
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1094321
Reference Citation
The crystal structure and related material properties of SrMg5 were obtained from the Materials Project database (MP-ID: mp-1094321, 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_SrMg5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.52198210
_cell_length_b 3.52198210
_cell_length_c 15.37718600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000189
_symmetry_Int_Tables_number 1
_chemical_formula_structural SrMg5
_chemical_formula_sum 'Sr1 Mg5'
_cell_volume 165.18924945
_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 0.66666700 0.33333300 0.00000000 1.0
Mg Mg1 1 0.00000000 0.00000000 0.80718800 1.0
Mg Mg2 1 0.66666700 0.33333300 0.65411000 1.0
Mg Mg3 1 0.00000000 0.00000000 0.50000000 1.0
Mg Mg4 1 0.66666700 0.33333300 0.34589000 1.0
Mg Mg5 1 0.00000000 0.00000000 0.19281200 1.0
