Sr3(RhO2)16

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-765543 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

Sr3(RhO2)16

MP-ID

mp-765543

Elements

Sites

Density

6.5164

g/cm³

Volume

617.01

Å³

Cell a

8.2012

Cell b

8.7533

Cell c

9.8690

α Angle

66.91

β Angle

72.38

γ Angle

77.30

Space Group

Point Group

Crystal System

Triclinic

Bravais Lattice

Triclinic P

Stability

Yes

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
12.06	7.3373	31.8	(0,1,1)
13.26	6.6788	42.0	(1,0,1)
16.81	5.2753	18.9	(1,-1,0)
19.05	4.6599	71.1	(1,1,2)
21.47	4.1389	6.8	(1,1,-1)
23.82	3.7351	5.4	(1,2,0)
24.26	3.6686	17.4	(0,2,2)
24.30	3.6625	5.5	(2,1,0)
25.54	3.4874	4.6	(1,0,-2)
26.23	3.3981	32.2	(1,-2,-1)
26.29	3.3896	4.6	(0,1,-2)
26.69	3.3394	12.6	(2,0,2)
27.18	3.2806	4.3	(2,2,1)
27.25	3.2732	3.9	(2,0,-1)
27.53	3.2396	3.7	(0,2,-1)
27.95	3.1923	100.0	(2,-1,1)
29.19	3.0594	93.9	(1,2,3)
30.44	2.9368	3.2	(0,0,3)
30.76	2.9066	42.5	(2,1,3)
31.26	2.8614	2.9	(1,3,1)
32.98	2.7160	2.4	(3,1,1)
33.61	2.6662	2.2	(0,3,0)
33.93	2.6424	2.2	(1,-1,-3)
33.99	2.6376	43.8	(2,-2,0)

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Energy Properties

Formation Energy/atom

-1.47262

eV/atom

Energy/atom

-6.98714

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-6.5561

eV/atom

Volume/atom

12.10

Å³

c/a Ratio

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0603

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000100

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

O · 0.627

Element Family

Metalloid-Nonmetal

Solute Fraction

0.373

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.8228

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

6.8407

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

47.434%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.7255

smaller = more stable mixing

VEC

5.451

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7489

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.614

Family

O-rich Multi-Component

Matrix Element

O · 0.627

Related Tasks

Related computation task IDs (2)

aaabzduo aaaedjhv

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-765543

Reference Citation

The crystal structure and related material properties of Sr3(RhO2)16 were obtained from the Materials Project database (MP-ID: mp-765543, 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_Sr3(RhO2)16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.20123900
_cell_length_b   8.75325784
_cell_length_c   9.86898938
_cell_angle_alpha   66.91288361
_cell_angle_beta   72.38195978
_cell_angle_gamma   77.30034563
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr3(RhO2)16
_chemical_formula_sum   'Sr3 Rh16 O32'
_cell_volume   617.01202589
_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  0.98413800  0.98368400  0.01592400  1.0
  Sr  Sr1  1  0.67212600  0.67228300  0.32747600  1.0
  Sr  Sr2  1  0.30463100  0.30430800  0.69601700  1.0
  Rh  Rh3  1  0.94397100  0.21994300  0.24613800  1.0
  Rh  Rh4  1  0.87962000  0.19984900  0.62056300  1.0
  Rh  Rh5  1  0.37054600  0.05041800  0.12925800  1.0
  Rh  Rh6  1  0.80640500  0.53054800  0.00500500  1.0
  Rh  Rh7  1  0.55539100  0.28081000  0.25546200  1.0
  Rh  Rh8  1  0.30552800  0.02954900  0.50451200  1.0
  Rh  Rh9  1  0.62186800  0.29931900  0.88096100  1.0
  Rh  Rh10  1  0.87020800  0.54817800  0.63243100  1.0
  Rh  Rh11  1  0.13009700  0.45091300  0.36872700  1.0
  Rh  Rh12  1  0.37751200  0.70083500  0.11884400  1.0
  Rh  Rh13  1  0.19262400  0.47015500  0.99599900  1.0
  Rh  Rh14  1  0.69438200  0.96962900  0.49527900  1.0
  Rh  Rh15  1  0.44441200  0.71814700  0.74480200  1.0
  Rh  Rh16  1  0.62814200  0.94914200  0.87105500  1.0
  Rh  Rh17  1  0.11952900  0.79879700  0.38069700  1.0
  Rh  Rh18  1  0.05608500  0.77985800  0.75419700  1.0
  O  O19  1  0.86941800  0.11045200  0.47094600  1.0
  O  O20  1  0.75659900  0.08681300  0.26116000  1.0
  O  O21  1  0.63256800  0.05062400  0.02452900  1.0
  O  O22  1  0.88256000  0.29909800  0.77581400  1.0
  O  O23  1  0.62035700  0.19554500  0.72847100  1.0
  O  O24  1  0.87222400  0.44589900  0.47776900  1.0
  O  O25  1  0.49346000  0.16232100  0.48886200  1.0
  O  O26  1  0.74543000  0.41417200  0.23776900  1.0
  O  O27  1  0.38108300  0.13938400  0.27947400  1.0
  O  O28  1  0.63237800  0.38825700  0.03062000  1.0
  O  O29  1  0.11326400  0.02769700  0.21233400  1.0
  O  O30  1  0.99435300  0.66641500  0.98796300  1.0
  O  O31  1  0.88019100  0.63871500  0.78071500  1.0
  O  O32  1  0.36378300  0.27889700  0.96061600  1.0
  O  O33  1  0.86187200  0.77591900  0.46192600  1.0
  O  O34  1  0.61514500  0.52694800  0.71475100  1.0
  O  O35  1  0.13724700  0.22263200  0.53819500  1.0
  O  O36  1  0.63530600  0.72128100  0.04110400  1.0
  O  O37  1  0.38512100  0.47284500  0.28498200  1.0
  O  O38  1  0.11919900  0.36122800  0.22029400  1.0
  O  O39  1  0.00478500  0.33573800  0.01292200  1.0
  O  O40  1  0.88582900  0.97160900  0.78838000  1.0
  O  O41  1  0.61817600  0.86042300  0.72044800  1.0
  O  O42  1  0.36797000  0.61176800  0.96920500  1.0
  O  O43  1  0.25364200  0.58449500  0.76344000  1.0
  O  O44  1  0.50575700  0.83672500  0.51149300  1.0
  O  O45  1  0.12844900  0.55182100  0.52383100  1.0
  O  O46  1  0.37738500  0.80424400  0.27220600  1.0
  O  O47  1  0.11634900  0.70048900  0.22446700  1.0
  O  O48  1  0.36698300  0.94925500  0.97599700  1.0
  O  O49  1  0.24472300  0.91210300  0.73763500  1.0
  O  O50  1  0.12987600  0.88852000  0.52963900  1.0

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