Sr5Mg
传统材料 TRAMP-ID: mp-1094314 · Space group: P-6m2 (#187)
Basic Information
Formula
Sr5Mg
MP-ID
mp-1094314
Elements
2
Sites
6
Density
2.5352
g/cm³
Volume
302.88
ų
Cell a
4.2762
Å
Cell b
4.2762
Å
Cell c
19.1262
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 |
|---|---|---|---|
| 4.62 | 19.1262 | 1.8 | (0,0,0,1) |
| 18.56 | 4.7815 | 2.2 | (0,0,0,4) |
| 23.25 | 3.8252 | 16.2 | (0,0,0,5) |
| 24.03 | 3.7033 | 30.1 | (1,0,-1,0) |
| 24.48 | 3.6357 | 4.5 | (1,0,-1,1) |
| 25.80 | 3.4534 | 5.4 | (1,-1,0,2) |
| 25.80 | 3.4534 | 10.8 | (1,0,-1,2) |
| 27.86 | 3.2022 | 100.0 | (1,0,-1,3) |
| 27.99 | 3.1877 | 12.6 | (0,0,0,6) |
| 30.53 | 2.9278 | 3.9 | (1,0,-1,4) |
| 32.78 | 2.7323 | 1.2 | (0,0,0,7) |
| 33.69 | 2.6607 | 10.2 | (1,0,-1,5) |
| 37.22 | 2.4159 | 9.0 | (1,0,-1,6) |
| 41.05 | 2.1986 | 1.1 | (1,0,-1,7) |
| 42.27 | 2.1381 | 25.2 | (2,-1,-1,0) |
| 45.14 | 2.0086 | 22.1 | (1,0,-1,8) |
| 46.53 | 1.9518 | 1.2 | (2,-1,-1,4) |
| 48.80 | 1.8663 | 13.1 | (2,-1,-1,5) |
| 49.21 | 1.8516 | 4.2 | (2,0,-2,0) |
| 49.45 | 1.8432 | 4.2 | (1,0,-1,9) |
| 50.18 | 1.8179 | 2.6 | (2,0,-2,2) |
| 51.39 | 1.7782 | 17.9 | (2,0,-2,3) |
| 51.46 | 1.7757 | 13.6 | (2,-1,-1,6) |
| 52.64 | 1.7387 | 3.4 | (0,0,0,11) |
Energy Properties
Formation Energy/atom
0.06510
eV/atom
Energy/atom
-13.25116
eV/atom
Energy above Hull
0.0876
eV/atom
Uncorrected Energy
-1.6101
eV/atom
Volume/atom
50.48
ų
c/a Ratio
4.4727
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0935
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000310
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Sr · 0.833
Element Family
N/A
Solute Fraction
0.167
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.654
Family
Binary Alloy
Matrix Element
Sr · 0.833
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1094314
Reference Citation
The crystal structure and related material properties of Sr5Mg were obtained from the Materials Project database (MP-ID: mp-1094314, 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_Sr5Mg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.27615847
_cell_length_b 4.27615847
_cell_length_c 19.12615300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000725
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sr5Mg
_chemical_formula_sum 'Sr5 Mg1'
_cell_volume 302.87666040
_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 0.33333300 0.66666700 0.86560400 1.0
Sr Sr1 1 0.00000000 0.00000000 0.68154500 1.0
Sr Sr2 1 0.33333300 0.66666700 0.50000000 1.0
Sr Sr3 1 0.00000000 0.00000000 0.31845500 1.0
Sr Sr4 1 0.33333300 0.66666700 0.13439600 1.0
Mg Mg5 1 0.00000000 0.00000000 0.00000000 1.0
