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Na11N7O16

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1173870 · Space group: P1 (#1)

Basic Information

Formula
Na11N7O16
MP-ID
mp-1173870
Elements
3
Sites
34
Density
1.9083
g/cm³
Volume
528.14
ų
Cell a
4.5670
Å
Cell b
5.9112
Å
Cell c
20.1460
Å
α Angle
85.25
°
β Angle
85.04
°
γ Angle
77.65
°
Space Group
P1
Point Group
1
Crystal System
Triclinic
Bravais Lattice
Triclinic P
Stability
No
Packing Fraction
0.5240

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
4.41 20.0268 54.7 (0,0,1)
8.83 10.0134 15.4 (0,0,2)
13.26 6.6756 34.4 (0,0,3)
15.38 5.7618 17.3 (0,1,0)
15.72 5.6370 21.6 (0,1,1)
16.29 5.4425 5.3 (0,1,-1)
17.24 5.1430 15.2 (0,1,2)
17.72 5.0067 25.1 (0,0,4)
18.26 4.8574 53.7 (0,1,-2)
19.68 4.5116 24.3 (0,1,3)
19.95 4.4502 10.0 (1,0,0)
20.13 4.4107 15.4 (1,0,1)
20.75 4.2806 3.3 (1,0,-1)
21.02 4.2260 52.7 (0,1,-3)
21.27 4.1777 1.8 (1,0,2)
22.19 4.0054 11.4 (0,0,5)
22.43 3.9640 24.2 (1,0,-2)
22.52 3.9485 32.2 (1,1,1)
22.56 3.9413 5.6 (1,1,0)
22.75 3.9092 1.9 (0,1,4)
23.23 3.8298 70.1 (1,0,3)
23.35 3.8100 9.6 (1,1,2)
23.47 3.7905 3.9 (1,1,-1)
24.31 3.6614 14.4 (0,1,-4)
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Energy Properties

Formation Energy/atom
-0.68382
eV/atom
Energy/atom
-5.16306
eV/atom
Energy above Hull
0.5927
eV/atom
Uncorrected Energy
-5.0873
eV/atom
Volume/atom
15.53
ų
c/a Ratio
-

Electronic Properties

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

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
3.9993
μB
Mag. Ordering
FM
Mag. Sites
4
Magnetization/Volume
0.007570
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
O · 0.471
Element Family
Metalloid-Nonmetal
Solute Fraction
0.529
Interstitial Fraction
0.206

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0452
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.6897
J/mol·K
Ω Parameter
0.0446
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
54.975%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
1.1275
smaller = more stable mixing
VEC
3.235
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-30.924
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9514
SS Former
0
Phase Tendency
AM

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
C
Score
0.247
Family
O-rich Multi-Component
Matrix Element
O · 0.471

Related Tasks

Related computation task IDs (1)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-1173870
Reference Citation

The crystal structure and related material properties of Na11N7O16 were obtained from the Materials Project database (MP-ID: mp-1173870, 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_Na11N7O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56697800
_cell_length_b   5.91119273
_cell_length_c   20.14603775
_cell_angle_alpha   85.25304897
_cell_angle_beta   85.03880213
_cell_angle_gamma   77.65060794
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na11N7O16
_chemical_formula_sum   'Na11 N7 O16'
_cell_volume   528.13843937
_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  0.91408600  0.97679500  0.03091300  1.0
  Na  Na1  1  0.58085400  0.12739700  0.28237700  1.0
  Na  Na2  1  0.37128800  0.99446300  0.63484300  1.0
  Na  Na3  1  0.12896200  0.74084800  0.25855200  1.0
  Na  Na4  1  0.51164500  0.56528600  0.93419400  1.0
  Na  Na5  1  0.29952000  0.16253900  0.14307500  1.0
  Na  Na6  1  0.71260900  0.25983100  0.73259200  1.0
  Na  Na7  1  0.00974900  0.30811800  0.40938900  1.0
  Na  Na8  1  0.77461500  0.55796000  0.15376900  1.0
  Na  Na9  1  0.40954700  0.62319800  0.50321100  1.0
  Na  Na10  1  0.08298500  0.50381600  0.81460900  1.0
  N  N11  1  0.81899200  0.96586200  0.16154900  1.0
  N  N12  1  0.32254300  0.96486700  0.88183500  1.0
  N  N13  1  0.88759000  0.87722700  0.48368000  1.0
  N  N14  1  0.14507100  0.55981500  0.66590700  1.0
  N  N15  1  0.96498000  0.54676300  0.02532500  1.0
  N  N16  1  0.49628700  0.57201100  0.34050300  1.0
  N  N17  1  0.92601400  0.70012400  0.69716500  1.0
  O  O18  1  0.07043000  0.17190300  0.25479000  1.0
  O  O19  1  0.62944600  0.99366900  0.49974400  1.0
  O  O20  1  0.24060500  0.07990600  0.83146800  1.0
  O  O21  1  0.35140000  0.11027200  0.93319400  1.0
  O  O22  1  0.42443000  0.97432000  0.99336600  1.0
  O  O23  1  0.09552800  0.07135200  0.32150400  1.0
  O  O24  1  0.87495600  0.92009600  0.67101700  1.0
  O  O25  1  0.28505600  0.52776600  0.17194700  1.0
  O  O26  1  0.90757600  0.65638300  0.48391900  1.0
  O  O27  1  0.59089100  0.46030500  0.82713800  1.0
  O  O28  1  0.82666700  0.38399800  0.04302600  1.0
  O  O29  1  0.48217200  0.42448000  0.39121300  1.0
  O  O30  1  0.72982600  0.65519700  0.33457800  1.0
  O  O31  1  0.20343100  0.34053800  0.69113500  1.0
  O  O32  1  0.31350200  0.61984600  0.61501600  1.0
  O  O33  1  0.99207800  0.59805000  0.96272700  1.0
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