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NaMg14SiO16

High-Entropy Materials HEA

MP-ID: mp-1034659 · Space group: P4/mmm (#123)

Basic Information

Formula
NaMg14SiO16
MP-ID
mp-1034659
Elements
4
Sites
32
Density
3.4242
g/cm³
Volume
313.93
ų
Cell a
8.5431
Å
Cell b
8.5431
Å
Cell c
4.3013
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
P4/mmm
Point Group
4/mmm
Crystal System
Tetragonal
Bravais Lattice
Tetragonal P
Stability
No
Packing Fraction
0.6800

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 10)
2θd (Å)Ihkl
36.35 2.4719 16.4 (2,2,1)
42.01 2.1506 52.3 (0,0,2)
42.32 2.1358 100.0 (4,0,0)
43.61 2.0754 1.0 (3,2,1)
61.16 1.5154 57.0 (4,0,2)
61.39 1.5102 27.6 (4,4,0)
62.39 1.4884 1.2 (5,2,1)
73.05 1.2952 3.8 (2,2,3)
73.48 1.2887 7.9 (6,2,1)
77.18 1.2359 25.2 (4,4,2)
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Energy Properties

Formation Energy/atom
-2.84714
eV/atom
Energy/atom
-6.24592
eV/atom
Energy above Hull
0.1471
eV/atom
Uncorrected Energy
-5.9024
eV/atom
Volume/atom
9.81
ų
c/a Ratio
0.5035

Electronic Properties

Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
No
Total Mag. Moment
0.3316
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.001060
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
O · 0.500
Element Family
Metalloid-Nonmetal
Solute Fraction
0.500
Interstitial Fraction
0.031

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.9249
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
7.6892
J/mol·K
Ω Parameter
2.7034
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
45.907%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
1.0656
smaller = more stable mixing
VEC
3.031
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-1.409
kJ/mol; negative = exothermic mixing
Entropy Norm
0.6671
SS Former
0
Phase Tendency
IM

Related Tasks

Related computation task IDs (2)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-1034659
Reference Citation

The crystal structure and related material properties of NaMg14SiO16 were obtained from the Materials Project database (MP-ID: mp-1034659, 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

BibTeX
@article{Horton2025,
  author  = {Horton, Matthew K. and Huck, Patrick and Yang, Ruo Xi and Munro, Jason M. and Dwaraknath, Shyam and Ganose, Alex M. and Kingsbury, Ryan S. and Wen, Mingjian and Shen, Jimmy X. and Mathis, Tyler S. and Kaplan, Aaron D. and Berket, Karlo and Riebesell, Janosh and George, Janine and Rosen, Andrew S. and Spotte-Smith, Evan W. C. and McDermott, Matthew J. and Cohen, Orion A. and Dunn, Alex and Kuner, Matthew C. and Rignanese, Gian-Marco and Petretto, Guido and Waroquiers, David and Griffin, Sinead M. and Neaton, Jeffrey B. and Chrzan, Daryl C. and Asta, Mark and Hautier, Geoffroy and Cholia, Shreyas and Ceder, Gerbrand and Ong, Shyue Ping and Jain, Anubhav and Persson, Kristin A.},
  title   = {Accelerated data-driven materials science with the Materials Project},
  journal = {Nature Materials},
  year    = {2025},
  volume  = {24},
  number  = {10},
  pages   = {1522--1532},
  month   = {oct},
  doi     = {10.1038/s41563-025-02272-0},
  issn    = {1476-4660},
  url     = {https://doi.org/10.1038/s41563-025-02272-0},
  abstract = {The Materials Project was launched formally in 2011 to drive materials discovery forwards through high-throughput computation and open data. More than a decade later, the Materials Project has become an indispensable tool used by more than 600,000 materials researchers around the world. This Perspective describes how the Materials Project, as a data platform and a software ecosystem, has helped to shape research in data-driven materials science. We cover how sustainable software and computational methods have accelerated materials design while becoming more open source and collaborative in nature. Next, we present cases where the Materials Project was used to understand and discover functional materials. We then describe our efforts to meet the needs of an expanding user base, through technical infrastructure updates ranging from data architecture and cloud resources to interactive web applications. Finally, we discuss opportunities to better aid the research community, with the vision that more accessible and easy-to-understand materials data will result in democratized materials knowledge and an increasingly collaborative community.}
}

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data
# generated using pymatgen
data_NaMg14SiO16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.54310142
_cell_length_b   8.54310142
_cell_length_c   4.30125101
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMg14SiO16
_chemical_formula_sum   'Na1 Mg14 Si1 O16'
_cell_volume   313.92500649
_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  0.50000000  0.50000000  0.00000000  1.0
  Mg  Mg1  1  0.00000000  0.50000000  0.00000000  1.0
  Mg  Mg2  1  0.50000000  -0.00000000  0.00000000  1.0
  Mg  Mg3  1  0.00000000  0.25321889  0.50000000  1.0
  Mg  Mg4  1  0.00000000  0.74678111  0.50000000  1.0
  Mg  Mg5  1  0.50000000  0.25480847  0.50000000  1.0
  Mg  Mg6  1  0.50000000  0.74519153  0.50000000  1.0
  Mg  Mg7  1  0.25321889  -0.00000000  0.50000000  1.0
  Mg  Mg8  1  0.25480847  0.50000000  0.50000000  1.0
  Mg  Mg9  1  0.74678111  -0.00000000  0.50000000  1.0
  Mg  Mg10  1  0.74519153  0.50000000  0.50000000  1.0
  Mg  Mg11  1  0.25546093  0.25546093  0.00000000  1.0
  Mg  Mg12  1  0.25546093  0.74453907  0.00000000  1.0
  Mg  Mg13  1  0.74453907  0.25546093  -0.00000000  1.0
  Mg  Mg14  1  0.74453907  0.74453907  0.00000000  1.0
  Si  Si15  1  0.00000000  -0.00000000  0.00000000  1.0
  O  O16  1  0.23375404  -0.00000000  0.00000000  1.0
  O  O17  1  0.23337204  0.50000000  0.00000000  1.0
  O  O18  1  0.76624596  -0.00000000  -0.00000000  1.0
  O  O19  1  0.76662796  0.50000000  -0.00000000  1.0
  O  O20  1  0.24842988  0.24842988  0.50000000  1.0
  O  O21  1  0.24842988  0.75157012  0.50000000  1.0
  O  O22  1  0.75157012  0.24842988  0.50000000  1.0
  O  O23  1  0.75157012  0.75157012  0.50000000  1.0
  O  O24  1  0.00000000  -0.00000000  0.50000000  1.0
  O  O25  1  0.00000000  0.50000000  0.50000000  1.0
  O  O26  1  0.50000000  -0.00000000  0.50000000  1.0
  O  O27  1  0.50000000  0.50000000  0.50000000  1.0
  O  O28  1  0.00000000  0.23375404  -0.00000000  1.0
  O  O29  1  0.00000000  0.76624596  0.00000000  1.0
  O  O30  1  0.50000000  0.23337204  -0.00000000  1.0
  O  O31  1  0.50000000  0.76662796  0.00000000  1.0
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