SrMg3
Traditional Materials TRAMP-ID: mp-1094338 · Space group: P6_3/mmc (#194)
Basic Information
Formula
SrMg3
MP-ID
mp-1094338
Elements
2
Sites
8
Density
2.2361
g/cm³
Volume
238.43
ų
Cell a
7.1495
Å
Cell b
7.1495
Å
Cell c
5.3861
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 |
|---|---|---|---|
| 14.31 | 6.1916 | 5.6 | (1,0,-1,0) |
| 14.31 | 6.1916 | 2.8 | (1,-1,0,0) |
| 21.87 | 4.0637 | 51.2 | (1,0,-1,1) |
| 24.91 | 3.5747 | 22.5 | (2,-1,-1,0) |
| 28.84 | 3.0958 | 24.5 | (2,0,-2,0) |
| 33.27 | 2.6931 | 23.3 | (0,0,0,2) |
| 33.38 | 2.6840 | 100.0 | (2,0,-2,1) |
| 36.38 | 2.4696 | 1.9 | (1,0,-1,2) |
| 38.47 | 2.3402 | 8.5 | (3,-1,-2,0) |
| 42.00 | 2.1510 | 11.2 | (2,-1,-1,2) |
| 42.10 | 2.1464 | 10.7 | (3,-1,-2,1) |
| 43.87 | 2.0639 | 4.2 | (3,0,-3,0) |
| 44.60 | 2.0319 | 14.5 | (2,0,-2,2) |
| 47.16 | 1.9272 | 1.8 | (3,0,-3,1) |
| 51.10 | 1.7874 | 5.9 | (2,2,-4,0) |
| 51.10 | 1.7874 | 11.9 | (4,-2,-2,0) |
| 51.75 | 1.7665 | 4.7 | (3,-1,-2,2) |
| 51.75 | 1.7665 | 2.4 | (3,-2,-1,2) |
| 53.11 | 1.7243 | 4.7 | (1,0,-1,3) |
| 53.35 | 1.7173 | 1.0 | (4,-1,-3,0) |
| 56.15 | 1.6381 | 4.1 | (3,0,-3,2) |
| 56.22 | 1.6361 | 10.1 | (4,-1,-3,1) |
| 59.52 | 1.5531 | 18.1 | (2,0,-2,3) |
| 59.74 | 1.5479 | 2.7 | (4,0,-4,0) |
Energy Properties
Formation Energy/atom
0.01518
eV/atom
Energy/atom
-6.89821
eV/atom
Energy above Hull
0.0921
eV/atom
Uncorrected Energy
-6.8982
eV/atom
Volume/atom
29.80
ų
c/a Ratio
0.7534
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.0000
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Mg · 0.750
Element Family
N/A
Solute Fraction
0.250
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.790
Family
Mg-based Alloy
Matrix Element
Mg · 0.750
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1094338
Reference Citation
The crystal structure and related material properties of SrMg3 were obtained from the Materials Project database (MP-ID: mp-1094338, 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_SrMg3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.14946203
_cell_length_b 7.14946203
_cell_length_c 5.38612107
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999569
_symmetry_Int_Tables_number 1
_chemical_formula_structural SrMg3
_chemical_formula_sum 'Sr2 Mg6'
_cell_volume 238.42593278
_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 0.30001894 0.15000997 0.25000000 1.0
Mg Mg3 1 0.84999003 0.15000997 0.25000000 1.0
Mg Mg4 1 0.84999003 0.69998106 0.25000000 1.0
Mg Mg5 1 0.69998106 0.84999003 0.75000000 1.0
Mg Mg6 1 0.15000997 0.30001894 0.75000000 1.0
Mg Mg7 1 0.15000997 0.84999003 0.75000000 1.0
