Basic Information
Formula
NaMg14Co
MP-ID
mp-1026864
Elements
3
Sites
16
Density
1.9983
g/cm³
Volume
350.83
ų
Cell a
6.4168
Å
Cell b
6.4168
Å
Cell c
9.8385
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 |
|---|---|---|---|
| 8.99 | 9.8385 | 9.3 | (0,0,0,1) |
| 15.95 | 5.5571 | 4.9 | (1,0,-1,0) |
| 18.03 | 4.9192 | 1.0 | (0,0,0,2) |
| 18.34 | 4.8386 | 7.4 | (1,0,-1,1) |
| 24.16 | 3.6834 | 1.8 | (1,0,-1,2) |
| 29.28 | 3.0503 | 1.2 | (2,-1,-1,1) |
| 31.68 | 2.8243 | 1.1 | (1,0,-1,3) |
| 32.22 | 2.7785 | 25.7 | (2,0,-2,0) |
| 36.53 | 2.4596 | 22.3 | (0,0,0,4) |
| 37.16 | 2.4193 | 100.0 | (2,0,-2,2) |
| 39.28 | 2.2934 | 1.3 | (1,1,-2,3) |
| 42.65 | 2.1200 | 1.4 | (2,0,-2,3) |
| 44.09 | 2.0541 | 1.4 | (3,-1,-2,1) |
| 47.04 | 1.9317 | 1.6 | (3,-1,-2,2) |
| 49.12 | 1.8549 | 1.1 | (1,0,-1,5) |
| 49.49 | 1.8417 | 14.0 | (2,0,-2,4) |
| 57.44 | 1.6042 | 5.9 | (4,-2,-2,0) |
| 57.44 | 1.6042 | 11.8 | (2,2,-4,0) |
| 66.17 | 1.4122 | 14.9 | (2,0,-2,6) |
| 67.41 | 1.3893 | 2.7 | (4,0,-4,0) |
| 70.02 | 1.3437 | 5.9 | (4,-2,-2,4) |
| 70.02 | 1.3437 | 11.7 | (2,2,-4,4) |
| 70.43 | 1.3370 | 4.5 | (4,0,-4,2) |
| 70.43 | 1.3370 | 9.0 | (4,-4,0,2) |
Energy Properties
Formation Energy/atom
0.12803
eV/atom
Energy/atom
-4.57001
eV/atom
Energy above Hull
0.1280
eV/atom
Uncorrected Energy
-1.8225
eV/atom
Volume/atom
21.93
ų
c/a Ratio
1.5332
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0157
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000040
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Mg · 0.875
Element Family
Alkali-AlkEarth
Solute Fraction
0.125
Interstitial Fraction
0.000
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.4634
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
3.8528
J/mol·K
Ω Parameter
0.4843
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
6.827%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.1709
smaller = more stable mixing
VEC
2.375
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-7.489
kJ/mol; negative = exothermic mixing
Entropy Norm
0.4218
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1026864
Reference Citation
The crystal structure and related material properties of NaMg14Co were obtained from the Materials Project database (MP-ID: mp-1026864, 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_NaMg14Co
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.41677480
_cell_length_b 6.41677427
_cell_length_c 9.83846623
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000271
_symmetry_Int_Tables_number 1
_chemical_formula_structural NaMg14Co
_chemical_formula_sum 'Na1 Mg14 Co1'
_cell_volume 350.82584430
_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
Na Na0 1 0.16666700 0.33333300 0.62500000 1.0
Mg Mg1 1 0.16170419 0.83085159 0.12500000 1.0
Mg Mg2 1 0.17258056 0.83628978 0.62500000 1.0
Mg Mg3 1 0.66914841 0.33829581 0.12500000 1.0
Mg Mg4 1 0.66371022 0.32741944 0.62500000 1.0
Mg Mg5 1 0.66914841 0.83085159 0.12500000 1.0
Mg Mg6 1 0.66371022 0.83628978 0.62500000 1.0
Mg Mg7 1 0.32723380 0.17276620 0.35859846 1.0
Mg Mg8 1 0.32723380 0.17276620 0.89140154 1.0
Mg Mg9 1 0.32723380 0.65446861 0.35859846 1.0
Mg Mg10 1 0.32723380 0.65446861 0.89140154 1.0
Mg Mg11 1 0.84553139 0.17276620 0.35859846 1.0
Mg Mg12 1 0.84553139 0.17276620 0.89140154 1.0
Mg Mg13 1 0.83333300 0.66666700 0.38008264 1.0
Mg Mg14 1 0.83333300 0.66666700 0.86991736 1.0
Co Co15 1 0.16666700 0.33333300 0.12500000 1.0
