Sr20Ta8O39

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-674423 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

Sr20Ta8O39

MP-ID

mp-674423

Elements

Sites

Density

6.1178

g/cm³

Volume

1,037.94

Å³

Cell a

5.9460

Cell b

5.9990

Cell c

33.5445

α Angle

93.48

β Angle

90.04

γ Angle

119.59

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
2.64	33.4618	38.7	(0,0,1)
5.28	16.7309	10.5	(0,0,2)
7.93	11.1539	8.2	(0,0,3)
15.89	5.5770	1.4	(0,0,6)
17.27	5.1343	2.2	(1,0,-1)
17.30	5.1246	2.0	(1,-1,1)
17.43	5.0882	1.6	(0,1,1)
17.78	4.9872	3.5	(1,0,-2)
17.82	4.9776	3.6	(1,-1,2)
18.15	4.8888	15.6	(1,0,2)
18.17	4.8825	15.4	(1,-1,-2)
18.30	4.8480	10.1	(0,1,-3)
18.56	4.7803	19.0	(0,0,7)
20.72	4.2859	31.4	(0,1,4)
21.35	4.1618	21.5	(1,0,-5)
21.39	4.1550	21.6	(1,-1,5)
22.10	4.0219	1.7	(1,0,5)
22.12	4.0195	1.8	(1,-1,-5)
24.38	3.6503	1.1	(0,1,-7)
26.18	3.4035	1.7	(0,1,7)
26.64	3.3462	2.5	(0,0,10)
26.95	3.3088	1.8	(1,0,-8)
26.98	3.3047	1.6	(1,-1,8)
28.30	3.1539	2.8	(0,1,8)

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Energy Properties

Formation Energy/atom

-3.33013

eV/atom

Energy/atom

-8.13244

eV/atom

Energy above Hull

0.0244

eV/atom

Uncorrected Energy

-7.7325

eV/atom

Volume/atom

15.49

Å³

c/a Ratio

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.3429

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000330

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

O · 0.582

Element Family

Metalloid-Nonmetal

Solute Fraction

0.418

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9296

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.7290

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

56.606%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

1.1618

smaller = more stable mixing

VEC

3.522

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8462

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.501

Family

O-rich Multi-Component

Matrix Element

O · 0.582

Related Tasks

Related computation task IDs (2)

aaacbxyq aaacxtfj

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-674423

Reference Citation

The crystal structure and related material properties of Sr20Ta8O39 were obtained from the Materials Project database (MP-ID: mp-674423, 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…

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Raw CIF Data

# generated using pymatgen
data_Sr20Ta8O39
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.94595700
_cell_length_b   5.99903950
_cell_length_c   33.54445625
_cell_angle_alpha   93.47727901
_cell_angle_beta   90.04179099
_cell_angle_gamma   119.58824996
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr20Ta8O39
_chemical_formula_sum   'Sr20 Ta8 O39'
_cell_volume   1037.93501303
_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
  Sr  Sr0  1  0.29792800  0.62621800  0.96656600  1.0
  Sr  Sr1  1  0.63013800  0.29027900  0.83171400  1.0
  Sr  Sr2  1  0.93826900  0.90458900  0.78080500  1.0
  Sr  Sr3  1  0.81124500  0.72786900  0.67081600  1.0
  Sr  Sr4  1  0.95868300  0.95376700  0.89014800  1.0
  Sr  Sr5  1  0.16722900  0.39727400  0.65267900  1.0
  Sr  Sr6  1  0.12934700  0.37302800  0.54741200  1.0
  Sr  Sr7  1  0.24132600  0.56432200  0.76218400  1.0
  Sr  Sr8  1  0.48610900  0.03353200  0.49155900  1.0
  Sr  Sr9  1  0.39441700  0.87920400  0.38248300  1.0
  Sr  Sr10  1  0.47580700  0.05651900  0.59685700  1.0
  Sr  Sr11  1  0.74874600  0.54699100  0.36466000  1.0
  Sr  Sr12  1  0.71930000  0.52363600  0.25964200  1.0
  Sr  Sr13  1  0.80017200  0.70116700  0.47372700  1.0
  Sr  Sr14  1  0.97110400  0.00884100  0.09374800  1.0
  Sr  Sr15  1  0.07149300  0.17301200  0.20297100  1.0
  Sr  Sr16  1  0.05855500  0.20678000  0.30780800  1.0
  Sr  Sr17  1  0.32719400  0.67047400  0.07583100  1.0
  Sr  Sr18  1  0.38355300  0.84075400  0.18516200  1.0
  Sr  Sr19  1  0.62799600  0.28567000  0.02441600  1.0
  Ta  Ta20  1  0.96986300  0.97712700  0.99563100  1.0
  Ta  Ta21  1  0.63167400  0.28782400  0.92813000  1.0
  Ta  Ta22  1  0.27875800  0.59902100  0.86061100  1.0
  Ta  Ta23  1  0.60983100  0.14846900  0.71664100  1.0
  Ta  Ta24  1  0.80480900  0.71288600  0.57215400  1.0
  Ta  Ta25  1  0.17722100  0.28944300  0.42793000  1.0
  Ta  Ta26  1  0.39270600  0.86235700  0.28384000  1.0
  Ta  Ta27  1  0.75827600  0.42488900  0.13976300  1.0
  O  O28  1  0.46253700  0.45363400  0.89542700  1.0
  O  O29  1  0.29380100  0.11794400  0.95992300  1.0
  O  O30  1  0.79522700  0.61803700  0.96611500  1.0
  O  O31  1  0.47264600  0.95742600  0.89012500  1.0
  O  O32  1  0.55591800  0.68810100  0.82106600  1.0
  O  O33  1  0.93957600  0.14570200  0.71587700  1.0
  O  O34  1  0.79269000  0.11083900  0.95828800  1.0
  O  O35  1  0.97307200  0.46594900  0.89903700  1.0
  O  O36  1  0.82568000  0.52118000  0.73417500  1.0
  O  O37  1  0.07050500  0.25429800  0.82973400  1.0
  O  O38  1  0.90158700  0.49662900  0.60517000  1.0
  O  O39  1  0.08229700  0.71591700  0.82813300  1.0
  O  O40  1  0.41788600  0.06825300  0.76425100  1.0
  O  O41  1  0.44526800  0.77270700  0.69977400  1.0
  O  O42  1  0.03441800  0.01919600  0.60893700  1.0
  O  O43  1  0.10564800  0.78871800  0.53540900  1.0
  O  O44  1  0.50530500  0.64001200  0.60735600  1.0
  O  O45  1  0.49501700  0.23495800  0.67016000  1.0
  O  O46  1  0.39527200  0.66481200  0.44441700  1.0
  O  O47  1  0.56985300  0.40512100  0.53496000  1.0
  O  O48  1  0.61675400  0.79580500  0.32197400  1.0
  O  O49  1  0.51113600  0.29098900  0.42775000  1.0
  O  O50  1  0.71008600  0.93029700  0.54107200  1.0
  O  O51  1  0.97417100  0.21329000  0.47414700  1.0
  O  O52  1  0.48216000  0.19023500  0.31695000  1.0
  O  O53  1  0.02406100  0.91353500  0.41235100  1.0
  O  O54  1  0.70097300  0.04939600  0.24861600  1.0
  O  O55  1  0.05899600  0.36494400  0.38090400  1.0
  O  O56  1  0.08572800  0.67183700  0.31708900  1.0
  O  O57  1  0.97497000  0.80089200  0.15533800  1.0
  O  O58  1  0.29705000  0.53277000  0.25125800  1.0
  O  O59  1  0.15878800  0.88130000  0.03420400  1.0
  O  O60  1  0.08968300  0.42418500  0.14029800  1.0
  O  O61  1  0.16690600  0.92327900  0.24673900  1.0
  O  O62  1  0.56100300  0.34596100  0.18673100  1.0
  O  O63  1  0.11912700  0.32308500  0.02626100  1.0
  O  O64  1  0.60077000  0.05123300  0.12290800  1.0
  O  O65  1  0.66393200  0.86683900  0.02954000  1.0
  O  O66  1  0.64132500  0.50190000  0.09236400  1.0

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