KMg15
Traditional Materials TRAMP-ID: mp-1023498 · Space group: P-6m2 (#187)
Basic Information
Formula
KMg15
MP-ID
mp-1023498
Elements
2
Sites
16
Density
1.6998
g/cm³
Volume
394.35
ų
Cell a
6.5893
Å
Cell b
6.5893
Å
Cell c
10.4875
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 17)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 23.03 | 3.8611 | 1.1 | (1,0,-1,2) |
| 31.35 | 2.8533 | 24.5 | (2,0,-2,0) |
| 34.20 | 2.6219 | 24.7 | (0,0,0,4) |
| 35.83 | 2.5063 | 100.0 | (2,0,-2,2) |
| 47.07 | 1.9306 | 9.7 | (2,0,-2,4) |
| 47.07 | 1.9306 | 4.8 | (2,-2,0,4) |
| 55.81 | 1.6473 | 5.8 | (2,2,-4,0) |
| 55.81 | 1.6473 | 11.6 | (4,-2,-2,0) |
| 62.29 | 1.4905 | 16.9 | (2,0,-2,6) |
| 65.42 | 1.4266 | 1.7 | (4,0,-4,0) |
| 67.10 | 1.3949 | 18.5 | (4,-2,-2,4) |
| 68.11 | 1.3766 | 9.1 | (4,0,-4,2) |
| 68.11 | 1.3766 | 4.5 | (4,-4,0,2) |
| 72.04 | 1.3109 | 2.2 | (0,0,0,8) |
| 75.93 | 1.2531 | 3.1 | (4,0,-4,4) |
| 80.66 | 1.1912 | 2.4 | (2,0,-2,8) |
| 88.46 | 1.1052 | 5.8 | (4,0,-4,6) |
Energy Properties
Formation Energy/atom
0.10106
eV/atom
Energy/atom
-4.18380
eV/atom
Energy above Hull
0.1011
eV/atom
Uncorrected Energy
-1.4686
eV/atom
Volume/atom
24.65
ų
c/a Ratio
1.5916
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0022
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000010
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
0.693
Family
Mg-based Alloy
Matrix Element
Mg · 0.938
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1023498
Reference Citation
The crystal structure and related material properties of KMg15 were obtained from the Materials Project database (MP-ID: mp-1023498, 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_KMg15
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.58930343
_cell_length_b 6.58930343
_cell_length_c 10.48746300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999428
_symmetry_Int_Tables_number 1
_chemical_formula_structural KMg15
_chemical_formula_sum 'K1 Mg15'
_cell_volume 394.34842626
_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
K K0 1 0.66666700 0.33333300 0.00000000 1.0
Mg Mg1 1 0.66666700 0.33333300 0.50000000 1.0
Mg Mg2 1 0.16999400 0.33998800 0.00000000 1.0
Mg Mg3 1 0.16521400 0.33042800 0.50000000 1.0
Mg Mg4 1 0.16999400 0.83000600 0.00000000 1.0
Mg Mg5 1 0.16521400 0.83478600 0.50000000 1.0
Mg Mg6 1 0.66001200 0.83000600 0.00000000 1.0
Mg Mg7 1 0.66957200 0.83478600 0.50000000 1.0
Mg Mg8 1 0.00972200 0.50486100 0.26318600 1.0
Mg Mg9 1 0.00972200 0.50486100 0.73681400 1.0
Mg Mg10 1 0.49513900 0.50486100 0.26318600 1.0
Mg Mg11 1 0.49513900 0.50486100 0.73681400 1.0
Mg Mg12 1 0.49513900 0.99027800 0.26318600 1.0
Mg Mg13 1 0.49513900 0.99027800 0.73681400 1.0
Mg Mg14 1 0.00000000 0.00000000 0.24742900 1.0
Mg Mg15 1 0.00000000 0.00000000 0.75257100 1.0
