Na3Fe5(SiO3)10

High-Entropy Materials HEA

MP-ID: mp-1176384 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

Na3Fe5(SiO3)10

MP-ID

mp-1176384

Elements

Sites

Density

3.3299

g/cm³

Volume

1,106.10

Å³

Cell a

6.6056

Cell b

7.4774

Cell c

22.5670

α Angle

85.66

β Angle

86.23

γ Angle

85.55

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
3.93	22.4614	3.1	(0,0,1)
13.81	6.4142	51.8	(1,0,1)
13.81	6.4132	51.9	(0,1,2)
17.39	5.0983	3.2	(0,1,-3)
19.07	4.6546	1.7	(1,-1,-1)
19.75	4.4946	35.7	(1,1,-2)
19.76	4.4923	35.7	(0,0,5)
20.07	4.4245	53.5	(1,1,3)
21.42	4.1481	1.4	(1,0,-4)
24.54	3.6269	17.5	(0,2,-1)
24.55	3.6260	17.6	(1,-1,4)
26.67	3.3424	1.6	(1,2,0)
26.68	3.3408	1.6	(1,0,6)
27.82	3.2071	2.6	(2,0,2)
27.82	3.2066	2.6	(0,2,4)
29.51	3.0270	100.0	(2,1,-1)
29.53	3.0253	99.8	(0,1,7)
30.35	2.9451	2.7	(2,0,-3)
30.36	2.9442	2.7	(1,-1,-6)
30.53	2.9284	54.0	(2,-1,0)
30.53	2.9281	54.2	(1,-2,-3)
31.82	2.8120	4.0	(2,1,4)
31.83	2.8118	4.0	(1,2,5)
34.94	2.5682	19.9	(2,2,1)

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Energy Properties

Formation Energy/atom

-2.64764

eV/atom

Energy/atom

-7.83654

eV/atom

Energy above Hull

0.0543

eV/atom

Uncorrected Energy

-7.1722

eV/atom

Volume/atom

11.52

Å³

c/a Ratio

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

46.0008

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.041590

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

O · 0.625

Element Family

Metalloid-Nonmetal

Solute Fraction

0.375

Interstitial Fraction

0.208

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0294

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.5587

J/mol·K

Ω Parameter

1.0606

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

43.409%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.8610

smaller = more stable mixing

VEC

4.229

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-4.822

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7426

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaaeaykk

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1176384

Reference Citation

The crystal structure and related material properties of Na3Fe5(SiO3)10 were obtained from the Materials Project database (MP-ID: mp-1176384, 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_Na3Fe5(SiO3)10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.60563500
_cell_length_b   7.47743428
_cell_length_c   22.56701076
_cell_angle_alpha   85.65933092
_cell_angle_beta   86.22952556
_cell_angle_gamma   85.55266947
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na3Fe5(SiO3)10
_chemical_formula_sum   'Na6 Fe10 Si20 O60'
_cell_volume   1106.10041692
_cell_formula_units_Z   2
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  0.81412300  0.92346100  0.89086400  1.0
  Na  Na1  1  0.01418200  0.32310200  0.69095200  1.0
  Na  Na2  1  0.21469900  0.72303300  0.49096300  1.0
  Na  Na3  1  0.41356700  0.12337700  0.29157800  1.0
  Na  Na4  1  0.18573500  0.07566000  0.10858900  1.0
  Na  Na5  1  0.61504200  0.52274900  0.09080100  1.0
  Fe  Fe6  1  0.13428600  0.16536800  0.96829900  1.0
  Fe  Fe7  1  0.07239700  0.24287600  0.83007000  1.0
  Fe  Fe8  1  0.33378600  0.56283300  0.77084500  1.0
  Fe  Fe9  1  0.27282400  0.64227000  0.63069400  1.0
  Fe  Fe10  1  0.53414600  0.96272900  0.57091500  1.0
  Fe  Fe11  1  0.47317800  0.04255500  0.43083400  1.0
  Fe  Fe12  1  0.73455400  0.36277900  0.37102900  1.0
  Fe  Fe13  1  0.67280500  0.44033800  0.23135900  1.0
  Fe  Fe14  1  0.92998700  0.75804900  0.17285400  1.0
  Fe  Fe15  1  0.87066900  0.84169400  0.02994600  1.0
  Si  Si16  1  0.06613500  0.92275400  0.72813800  1.0
  Si  Si17  1  0.33318000  0.87417800  0.87226100  1.0
  Si  Si18  1  0.62677800  0.22063800  0.99211000  1.0
  Si  Si19  1  0.86541500  0.52396400  0.92789300  1.0
  Si  Si20  1  0.82590100  0.62083600  0.79236300  1.0
  Si  Si21  1  0.02658300  0.02050300  0.59247600  1.0
  Si  Si22  1  0.57264700  0.18145500  0.80646800  1.0
  Si  Si23  1  0.26603400  0.32277000  0.52836200  1.0
  Si  Si24  1  0.53351800  0.27422800  0.67234800  1.0
  Si  Si25  1  0.22691900  0.42093800  0.39262800  1.0
  Si  Si26  1  0.77275700  0.58146700  0.60656700  1.0
  Si  Si27  1  0.46688300  0.72322400  0.32857800  1.0
  Si  Si28  1  0.73352300  0.67471300  0.47247900  1.0
  Si  Si29  1  0.42824300  0.81728500  0.19291300  1.0
  Si  Si30  1  0.97325800  0.98163300  0.40653000  1.0
  Si  Si31  1  0.17165600  0.38235900  0.20784600  1.0
  Si  Si32  1  0.13107700  0.47663400  0.07208200  1.0
  Si  Si33  1  0.37333100  0.78078600  0.00651700  1.0
  Si  Si34  1  0.66964000  0.12350400  0.12805900  1.0
  Si  Si35  1  0.93225000  0.07363700  0.27261300  1.0
  O  O36  1  0.04485700  0.36849200  0.90997200  1.0
  O  O37  1  0.42520800  0.78268100  0.93440500  1.0
  O  O38  1  0.26182500  0.71826300  0.83418500  1.0
  O  O39  1  0.02561900  0.47862000  0.77882200  1.0
  O  O40  1  0.51783000  0.97931300  0.83527700  1.0
  O  O41  1  0.24532700  0.76597600  0.71049800  1.0
  O  O42  1  0.14681400  0.02676200  0.88888700  1.0
  O  O43  1  0.42524300  0.17286800  0.96120400  1.0
  O  O44  1  0.68539100  0.42522300  0.96901900  1.0
  O  O45  1  0.22604400  0.87796100  0.57904300  1.0
  O  O46  1  0.36922200  0.32001000  0.81792200  1.0
  O  O47  1  0.13006100  0.09015000  0.76317600  1.0
  O  O48  1  0.93113400  0.69051900  0.96306200  1.0
  O  O49  1  0.78196800  0.62300600  0.86508100  1.0
  O  O50  1  0.34698400  0.42651900  0.68908300  1.0
  O  O51  1  0.62457900  0.57175100  0.76188000  1.0
  O  O52  1  0.02875800  0.98414000  0.33439600  1.0
  O  O53  1  0.82699900  0.07901300  0.97914200  1.0
  O  O54  1  0.08349200  0.22468400  0.56822600  1.0
  O  O55  1  0.88322200  0.82481500  0.76805500  1.0
  O  O56  1  0.56944200  0.71983000  0.61811400  1.0
  O  O57  1  0.32990800  0.49028300  0.56344500  1.0
  O  O58  1  0.77817600  0.21624800  0.83859000  1.0
  O  O59  1  0.18462300  0.42265800  0.46542900  1.0
  O  O60  1  0.62663100  0.18264000  0.73433400  1.0
  O  O61  1  0.54725300  0.82709600  0.48938400  1.0
  O  O62  1  0.82481900  0.97177500  0.56213300  1.0
  O  O63  1  0.02537700  0.37171200  0.36229900  1.0
  O  O64  1  0.46230500  0.11803700  0.63437800  1.0
  O  O65  1  0.28352700  0.62501400  0.36825600  1.0
  O  O66  1  0.71805600  0.37941000  0.63529600  1.0
  O  O67  1  0.52954000  0.89089200  0.36378600  1.0
  O  O68  1  0.17861500  0.01549300  0.43898200  1.0
  O  O69  1  0.97843800  0.61609700  0.63856400  1.0
  O  O70  1  0.44544600  0.16637200  0.51072200  1.0
  O  O71  1  0.38695800  0.82282900  0.26535700  1.0
  O  O72  1  0.82644000  0.58248700  0.53437700  1.0
  O  O73  1  0.22254800  0.78257400  0.16159200  1.0
  O  O74  1  0.66165500  0.51862000  0.43450900  1.0
  O  O75  1  0.42639800  0.27803000  0.37936700  1.0
  O  O76  1  0.11633600  0.17636300  0.23350900  1.0
  O  O77  1  0.91809200  0.77935700  0.43524500  1.0
  O  O78  1  0.17276000  0.92212000  0.01982100  1.0
  O  O79  1  0.98455100  0.02228300  0.66522600  1.0
  O  O80  1  0.37821900  0.41536000  0.23893800  1.0
  O  O81  1  0.64591400  0.56654100  0.31113200  1.0
  O  O82  1  0.22022300  0.38003600  0.13488000  1.0
  O  O83  1  0.85767200  0.91821500  0.23499300  1.0
  O  O84  1  0.06991600  0.30967600  0.03673700  1.0
  O  O85  1  0.62650900  0.67599100  0.17910100  1.0
  O  O86  1  0.76965700  0.11974500  0.41825200  1.0
  O  O87  1  0.31734300  0.57897900  0.03527900  1.0
  O  O88  1  0.57700400  0.81707500  0.03925600  1.0
  O  O89  1  0.85380800  0.97121900  0.11089600  1.0
  O  O90  1  0.74797000  0.22714800  0.28977200  1.0
  O  O91  1  0.48302600  0.02199200  0.16574200  1.0
  O  O92  1  0.96993500  0.51973000  0.21965400  1.0
  O  O93  1  0.73163900  0.29037900  0.16310200  1.0
  O  O94  1  0.57867300  0.21841100  0.06528600  1.0
  O  O95  1  0.94593200  0.62784600  0.08901200  1.0

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