Sr5Mg
MP-ID: mp-1094292 · Space group: P-62m (#189)
Basic Information
Formula
Sr5Mg
MP-ID
mp-1094292
Elements
2
Sites
6
Density
2.6378
g/cm³
Volume
291.09
ų
Cell a
7.1005
Å
Cell b
7.1005
Å
Cell c
6.6667
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P-62m
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 |
|---|---|---|---|
| 13.28 | 6.6667 | 3.5 | (0,0,0,1) |
| 14.40 | 6.1492 | 4.8 | (1,0,-1,0) |
| 19.64 | 4.5201 | 13.7 | (1,0,-1,1) |
| 25.08 | 3.5503 | 36.0 | (2,-1,-1,0) |
| 26.74 | 3.3334 | 39.4 | (0,0,0,2) |
| 28.48 | 3.1336 | 100.0 | (2,-1,-1,1) |
| 28.48 | 3.1336 | 50.0 | (1,1,-2,1) |
| 29.04 | 3.0746 | 3.6 | (2,0,-2,0) |
| 30.50 | 2.9305 | 1.7 | (1,0,-1,2) |
| 36.99 | 2.4301 | 25.9 | (2,-1,-1,2) |
| 38.74 | 2.3242 | 1.9 | (3,-1,-2,0) |
| 39.89 | 2.2600 | 3.1 | (2,0,-2,2) |
| 41.13 | 2.1947 | 2.9 | (3,-1,-2,1) |
| 43.29 | 2.0900 | 1.8 | (1,0,-1,3) |
| 44.19 | 2.0497 | 9.6 | (3,-3,0,0) |
| 44.19 | 2.0497 | 19.3 | (3,0,-3,0) |
| 47.70 | 1.9065 | 3.0 | (3,-1,-2,2) |
| 48.32 | 1.8837 | 22.8 | (2,-1,-1,3) |
| 48.32 | 1.8837 | 11.4 | (1,1,-2,3) |
| 51.48 | 1.7751 | 3.1 | (4,-2,-2,0) |
| 51.48 | 1.7751 | 1.6 | (2,2,-4,0) |
| 52.40 | 1.7461 | 11.6 | (3,-3,0,2) |
| 52.40 | 1.7461 | 23.1 | (3,0,-3,2) |
| 53.41 | 1.7154 | 24.4 | (4,-2,-2,1) |
Energy Properties
Formation Energy/atom
0.04464
eV/atom
Energy/atom
-13.27162
eV/atom
Energy above Hull
0.0672
eV/atom
Uncorrected Energy
-1.6305
eV/atom
Volume/atom
48.51
ų
c/a Ratio
0.9389
Electronic Properties
Metallic
Non-metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1094292
Reference Citation
The crystal structure and related material properties of Sr5Mg were obtained from the Materials Project database (MP-ID: mp-1094292, 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 7.10052249
_cell_length_b 7.10052249
_cell_length_c 6.66674400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000458
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sr5Mg
_chemical_formula_sum 'Sr5 Mg1'
_cell_volume 291.08847125
_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 0.68257400 0.00000000 0.00000000 1.0
Sr Sr1 1 0.00000000 0.68257400 0.00000000 1.0
Sr Sr2 1 0.31742600 0.31742600 0.00000000 1.0
Sr Sr3 1 0.33333300 0.66666700 0.50000000 1.0
Sr Sr4 1 0.66666700 0.33333300 0.50000000 1.0
Mg Mg5 1 0.00000000 0.00000000 0.50000000 1.0
