SrMg3
传统材料 TRAMP-ID: mp-1016283 · Space group: Pmm2 (#25)
Basic Information
Formula
SrMg3
MP-ID
mp-1016283
Elements
2
Sites
4
Density
2.2307
g/cm³
Volume
119.50
ų
Cell a
3.4819
Å
Cell b
5.4448
Å
Cell c
6.3034
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pmm2
Point Group
mm2
Crystal System
Orthorhombic
Bravais Lattice
oP
Stability
No
Packing Fraction
-
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 |
|---|---|---|---|
| 14.05 | 6.3034 | 27.2 | (0,0,1) |
| 16.28 | 5.4448 | 27.6 | (0,1,0) |
| 21.57 | 4.1205 | 38.9 | (0,1,1) |
| 25.58 | 3.4819 | 9.7 | (1,0,0) |
| 28.32 | 3.1517 | 16.1 | (0,0,2) |
| 29.30 | 3.0478 | 38.0 | (1,0,1) |
| 30.47 | 2.9334 | 12.5 | (1,1,0) |
| 32.83 | 2.7277 | 58.3 | (0,1,2) |
| 32.90 | 2.7224 | 35.8 | (0,2,0) |
| 33.70 | 2.6595 | 100.0 | (1,1,1) |
| 35.93 | 2.4993 | 5.8 | (0,2,1) |
| 38.53 | 2.3366 | 10.7 | (1,0,2) |
| 42.08 | 2.1473 | 6.1 | (1,1,2) |
| 42.13 | 2.1447 | 5.1 | (1,2,0) |
| 43.05 | 2.1011 | 3.4 | (0,0,3) |
| 43.95 | 2.0602 | 9.6 | (0,2,2) |
| 44.63 | 2.0304 | 23.5 | (1,2,1) |
| 46.32 | 1.9603 | 4.0 | (0,1,3) |
| 50.27 | 1.8150 | 1.5 | (0,3,0) |
| 50.75 | 1.7990 | 17.9 | (1,0,3) |
| 51.54 | 1.7731 | 9.1 | (1,2,2) |
| 52.47 | 1.7441 | 3.5 | (0,3,1) |
| 52.57 | 1.7410 | 9.1 | (2,0,0) |
| 53.66 | 1.7082 | 7.0 | (1,1,3) |
Energy Properties
Formation Energy/atom
0.08613
eV/atom
Energy/atom
-6.82726
eV/atom
Energy above Hull
0.1631
eV/atom
Uncorrected Energy
-1.5374
eV/atom
Volume/atom
29.88
ų
c/a Ratio
1.8103
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0020
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000020
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Mg · 0.750
Element Family
N/A
Solute Fraction
0.250
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.743
Family
Mg-based Alloy
Matrix Element
Mg · 0.750
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1016283
Reference Citation
The crystal structure and related material properties of SrMg3 were obtained from the Materials Project database (MP-ID: mp-1016283, 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 3.48191500
_cell_length_b 5.44484200
_cell_length_c 6.30341600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SrMg3
_chemical_formula_sum 'Sr1 Mg3'
_cell_volume 119.50316746
_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 0.50000000 0.00000000 0.16173900 1.0
Mg Mg1 1 0.00000000 0.00000000 0.65633100 1.0
Mg Mg2 1 0.00000000 0.50000000 0.37338200 1.0
Mg Mg3 1 0.50000000 0.50000000 0.80854800 1.0
