Mg15Mn
Traditional Materials TRAMP-ID: mp-1023507 · Space group: P-6m2 (#187)
Basic Information
Formula
Mg15Mn
MP-ID
mp-1023507
Elements
2
Sites
16
Density
1.9711
g/cm³
Volume
353.41
ų
Cell a
6.3374
Å
Cell b
6.3374
Å
Cell c
10.1610
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 18)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 8.70 | 10.1610 | 4.3 | (0,0,0,1) |
| 16.15 | 5.4883 | 3.2 | (1,0,-1,0) |
| 18.37 | 4.8289 | 4.2 | (1,0,-1,1) |
| 23.87 | 3.7283 | 1.7 | (1,0,-1,2) |
| 29.53 | 3.0250 | 1.1 | (2,-1,-1,1) |
| 32.63 | 2.7442 | 24.5 | (2,0,-2,0) |
| 35.33 | 2.5403 | 25.7 | (0,0,0,4) |
| 37.24 | 2.4145 | 100.0 | (2,0,-2,2) |
| 48.86 | 1.8642 | 15.0 | (2,0,-2,4) |
| 58.23 | 1.5843 | 5.7 | (2,2,-4,0) |
| 58.23 | 1.5843 | 11.3 | (4,-2,-2,0) |
| 64.68 | 1.4412 | 18.1 | (2,0,-2,6) |
| 68.37 | 1.3721 | 1.7 | (4,0,-4,0) |
| 69.99 | 1.3443 | 18.7 | (4,-2,-2,4) |
| 71.18 | 1.3246 | 13.3 | (4,0,-4,2) |
| 74.74 | 1.2701 | 2.5 | (0,0,0,8) |
| 79.37 | 1.2072 | 3.2 | (4,0,-4,4) |
| 83.95 | 1.1527 | 2.7 | (2,0,-2,8) |
Energy Properties
Formation Energy/atom
0.08274
eV/atom
Energy/atom
-2.01845
eV/atom
Energy above Hull
0.0827
eV/atom
Uncorrected Energy
-2.0185
eV/atom
Volume/atom
22.09
ų
c/a Ratio
1.6034
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
3.5987
μB
Mag. Ordering
FM
Mag. Sites
1
Magnetization/Volume
0.010180
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Mg · 0.938
Element Family
N/A
Solute Fraction
0.063
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.830
Family
Mg-based Alloy
Matrix Element
Mg · 0.938
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1023507
Reference Citation
The crystal structure and related material properties of Mg15Mn were obtained from the Materials Project database (MP-ID: mp-1023507, 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_Mg15Mn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.33735575
_cell_length_b 6.33735575
_cell_length_c 10.16098700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999739
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mg15Mn
_chemical_formula_sum 'Mg15 Mn1'
_cell_volume 353.41315658
_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 0.00000000 0.00000000 0.50000000 1.0
Mg Mg1 1 0.00024000 0.50012000 0.00000000 1.0
Mg Mg2 1 0.00023500 0.50011800 0.50000000 1.0
Mg Mg3 1 0.49988000 0.50012000 0.00000000 1.0
Mg Mg4 1 0.49988200 0.50011800 0.50000000 1.0
Mg Mg5 1 0.49988000 0.99976000 0.00000000 1.0
Mg Mg6 1 0.49988200 0.99976500 0.50000000 1.0
Mg Mg7 1 0.16406700 0.32813300 0.75404000 1.0
Mg Mg8 1 0.16406700 0.32813300 0.24596000 1.0
Mg Mg9 1 0.16406700 0.83593300 0.75404000 1.0
Mg Mg10 1 0.16406700 0.83593300 0.24596000 1.0
Mg Mg11 1 0.67186700 0.83593300 0.75404000 1.0
Mg Mg12 1 0.67186700 0.83593300 0.24596000 1.0
Mg Mg13 1 0.66666700 0.33333300 0.74913000 1.0
Mg Mg14 1 0.66666700 0.33333300 0.25087000 1.0
Mn Mn15 1 0.00000000 0.00000000 0.00000000 1.0
