Mg5Sc
Traditional Materials TRAMP-ID: mp-973147 · Space group: Cm (#8)
Basic Information
Formula
Mg5Sc
MP-ID
mp-973147
Elements
2
Sites
6
Density
2.0051
g/cm³
Volume
137.87
ų
Cell a
6.1514
Å
Cell b
6.1514
Å
Cell c
7.6097
Å
α Angle
75.44
°
β Angle
75.44
°
γ Angle
29.73
°
Space Group
Cm
Point Group
m
Crystal System
Monoclinic
Bravais Lattice
mC
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 |
|---|---|---|---|
| 12.05 | 7.3476 | 14.1 | (0,0,1) |
| 15.43 | 5.7408 | 7.2 | (1,1,0) |
| 16.95 | 5.2322 | 6.5 | (1,1,1) |
| 21.99 | 4.0422 | 3.8 | (1,1,-1) |
| 24.23 | 3.6738 | 2.6 | (0,0,2) |
| 25.15 | 3.5408 | 2.3 | (1,1,2) |
| 29.35 | 3.0431 | 3.4 | (1,0,0) |
| 30.34 | 2.9460 | 1.5 | (2,2,1) |
| 31.02 | 2.8827 | 3.0 | (1,0,1) |
| 31.16 | 2.8704 | 1.7 | (2,2,0) |
| 32.16 | 2.7831 | 24.6 | (1,1,-2) |
| 32.62 | 2.7454 | 50.2 | (1,0,-1) |
| 34.28 | 2.6161 | 82.6 | (2,2,2) |
| 35.93 | 2.4997 | 1.3 | (1,1,3) |
| 36.45 | 2.4651 | 52.9 | (2,2,-1) |
| 36.69 | 2.4492 | 51.8 | (0,0,3) |
| 36.92 | 2.4349 | 100.0 | (2,1,0) |
| 36.92 | 2.4348 | 1.3 | (2,1,1) |
| 37.04 | 2.4272 | 99.1 | (1,0,2) |
| 40.93 | 2.2049 | 1.0 | (2,1,-1) |
| 47.51 | 1.9136 | 7.8 | (3,3,0) |
| 47.91 | 1.8988 | 7.6 | (1,1,4) |
| 47.94 | 1.8976 | 16.1 | (3,2,1) |
| 48.14 | 1.8903 | 15.8 | (2,1,3) |
Energy Properties
Formation Energy/atom
0.03718
eV/atom
Energy/atom
-2.37696
eV/atom
Energy above Hull
0.0482
eV/atom
Uncorrected Energy
-5.3549
eV/atom
Volume/atom
22.98
ų
c/a Ratio
1.2371
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.0002
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 · 0.833
Element Family
N/A
Solute Fraction
0.167
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.845
Family
Mg-based Alloy
Matrix Element
Mg · 0.833
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-973147
Reference Citation
The crystal structure and related material properties of Mg5Sc were obtained from the Materials Project database (MP-ID: mp-973147, 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_Mg5Sc
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.15143147
_cell_length_b 6.15143147
_cell_length_c 7.60970976
_cell_angle_alpha 75.43523378
_cell_angle_beta 75.43523378
_cell_angle_gamma 29.72815506
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mg5Sc
_chemical_formula_sum 'Mg5 Sc1'
_cell_volume 137.87359249
_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
Mg Mg0 1 0.99903821 0.99903821 0.00010691 1.0
Mg Mg1 1 0.27737639 0.27737639 0.94533160 1.0
Mg Mg2 1 0.66624959 0.66624959 0.66292135 1.0
Mg Mg3 1 0.94234701 0.94234701 0.61566027 1.0
Mg Mg4 1 0.33612837 0.33612837 0.33409649 1.0
Sc Sc5 1 0.61219343 0.61219343 0.27521537 1.0
