Na9(WO3)13

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-759888 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

Na9(WO3)13

MP-ID

mp-759888

Elements

Sites

Density

6.8287

g/cm³

Volume

783.21

Å³

Cell a

5.5442

Cell b

11.7597

Cell c

13.0028

α Angle

107.55

β Angle

90.00

γ Angle

103.63

Space Group

Point Group

Crystal System

Triclinic

Bravais Lattice

Triclinic P

Stability

Packing Fraction

0.5240

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å

Diffraction Peaks (Top 24)

2θ	d (Å)	I	hkl
22.68	3.9204	100.0	(0,2,-3)
22.68	3.9204	100.0	(1,1,1)
22.68	3.9199	100.0	(1,-2,-1)
32.29	2.7722	40.8	(1,-1,4)
32.29	2.7721	40.8	(2,-1,0)
32.29	2.7721	40.8	(1,0,-4)
32.29	2.7720	40.8	(1,3,-2)
32.30	2.7719	40.8	(1,-4,2)
32.30	2.7718	40.8	(0,3,2)
39.83	2.2634	9.6	(2,1,-3)
39.83	2.2634	9.6	(2,-3,3)
39.83	2.2634	9.6	(0,1,5)
39.83	2.2632	9.6	(0,5,-1)
46.32	1.9602	27.2	(0,4,-6)
46.32	1.9602	27.2	(2,2,2)
46.32	1.9600	27.2	(2,-4,-2)
52.17	1.7533	10.5	(1,-3,7)
52.17	1.7533	10.5	(2,0,5)
52.17	1.7533	10.5	(1,2,-7)
52.17	1.7533	10.5	(3,0,1)
52.17	1.7532	10.5	(1,5,-5)
52.17	1.7532	10.5	(2,4,-1)
52.17	1.7532	10.5	(1,-6,5)
52.17	1.7532	10.5	(3,-3,-1)

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Energy Properties

Formation Energy/atom

-2.15509

eV/atom

Energy/atom

-8.27807

eV/atom

Energy above Hull

0.0303

eV/atom

Uncorrected Energy

-6.8930

eV/atom

Volume/atom

12.84

Å³

c/a Ratio

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

8.9968

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.011490

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

O · 0.639

Element Family

Metalloid-Nonmetal

Solute Fraction

0.361

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.8978

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.4642

J/mol·K

Ω Parameter

2.3069

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

51.524%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.9042

smaller = more stable mixing

VEC

3.984

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

2.838

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8172

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.553

Family

O-rich Multi-Component

Matrix Element

O · 0.639

Related Tasks

Related computation task IDs (1)

aaaecndk

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-759888

Reference Citation

The crystal structure and related material properties of Na9(WO3)13 were obtained from the Materials Project database (MP-ID: mp-759888, 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

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Raw CIF Data

# generated using pymatgen
data_Na9(WO3)13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54417900
_cell_length_b   11.75967717
_cell_length_c   13.00275761
_cell_angle_alpha   107.55287019
_cell_angle_beta   89.99786288
_cell_angle_gamma   103.62944519
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na9(WO3)13
_chemical_formula_sum   'Na9 W13 O39'
_cell_volume   783.20613124
_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  0.38005800  0.77209400  0.84763200  1.0
  Na  Na1  1  0.07395000  0.14950700  0.76660700  1.0
  Na  Na2  1  0.76547800  0.53561500  0.68939300  1.0
  Na  Na3  1  0.69145400  0.38863000  0.92495700  1.0
  Na  Na4  1  0.22965200  0.46156800  0.31084900  1.0
  Na  Na5  1  0.92879600  0.84511800  0.22760600  1.0
  Na  Na6  1  0.84124300  0.69466400  0.46346700  1.0
  Na  Na7  1  0.53910900  0.07764100  0.38912800  1.0
  Na  Na8  1  0.61421400  0.23189300  0.15391000  1.0
  W  W9  1  0.92427800  0.84887500  0.73221900  1.0
  W  W10  1  0.30885700  0.61696800  0.57819300  1.0
  W  W11  1  0.46129500  0.92195200  0.11340300  1.0
  W  W12  1  0.23041200  0.46158100  0.80791500  1.0
  W  W13  1  0.84639600  0.69341400  0.96270300  1.0
  W  W14  1  0.38639800  0.77026700  0.34627600  1.0
  W  W15  1  0.69259300  0.38405300  0.42465800  1.0
  W  W16  1  0.61555400  0.22963500  0.65268200  1.0
  W  W17  1  0.53718500  0.07605700  0.88439200  1.0
  W  W18  1  0.07682300  0.15252000  0.26897200  1.0
  W  W19  1  0.15323400  0.30756200  0.03852200  1.0
  W  W20  1  0.77085400  0.54004500  0.19154800  1.0
  W  W21  1  0.00179600  0.00089500  0.50194700  1.0
  O  O22  1  0.22911200  0.96349500  0.80881100  1.0
  O  O23  1  0.11563500  0.73082000  0.65545000  1.0
  O  O24  1  0.72886300  0.96158900  0.80804300  1.0
  O  O25  1  0.03348600  0.57558900  0.88255300  1.0
  O  O26  1  0.19107500  0.88395600  0.42215400  1.0
  O  O27  1  0.19003200  0.38307900  0.92225400  1.0
  O  O28  1  0.53934400  0.57675200  0.88353400  1.0
  O  O29  1  0.88582000  0.76771200  0.84524200  1.0
  O  O30  1  0.15407400  0.80686900  0.03852900  1.0
  O  O31  1  0.27219500  0.54214600  0.69484300  1.0
  O  O32  1  0.07647100  0.65463100  0.27106900  1.0
  O  O33  1  0.61897100  0.72892700  0.65461000  1.0
  O  O34  1  0.34784900  0.68981200  0.46002300  1.0
  O  O35  1  0.96225100  0.92433800  0.61651400  1.0
  O  O36  1  0.69607800  0.88411400  0.42162500  1.0
  O  O37  1  0.42412300  0.84849400  0.23234600  1.0
  O  O38  1  0.58162600  0.65524200  0.27086700  1.0
  O  O39  1  0.50236400  0.50166700  0.50008600  1.0
  O  O40  1  0.34899400  0.19513000  0.96100800  1.0
  O  O41  1  0.42614200  0.34677300  0.73306100  1.0
  O  O42  1  0.65382800  0.80757700  0.03820700  1.0
  O  O43  1  0.92167800  0.34692700  0.73195500  1.0
  O  O44  1  0.49933900  0.00003500  0.99979500  1.0
  O  O45  1  0.84370100  0.19558400  0.96129100  1.0
  O  O46  1  0.57832600  0.15574600  0.77026300  1.0
  O  O47  1  0.03883800  0.07419400  0.38298800  1.0
  O  O48  1  0.38909100  0.26873400  0.34310600  1.0
  O  O49  1  0.65288000  0.30781800  0.53838700  1.0
  O  O50  1  0.30965500  0.11523000  0.57632700  1.0
  O  O51  1  0.99795300  0.50306200  0.50144000  1.0
  O  O52  1  0.73359800  0.46343800  0.30909600  1.0
  O  O53  1  0.46386700  0.42133500  0.11625900  1.0
  O  O54  1  0.80825000  0.61549800  0.07715300  1.0
  O  O55  1  0.11585800  0.23200100  0.15486500  1.0
  O  O56  1  0.27069400  0.03779200  0.19387500  1.0
  O  O57  1  0.88441700  0.26952600  0.34484400  1.0
  O  O58  1  0.80964300  0.11616700  0.57649000  1.0
  O  O59  1  0.95934500  0.42164500  0.11695200  1.0
  O  O60  1  0.76696300  0.03834200  0.19440100  1.0

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