Ba3(RhO2)14

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-758025 · Space group: P-1 (#2)

Materials Project API

Basic Information

Formula

Ba3(RhO2)14

MP-ID

mp-758025

Elements

Sites

Density

6.8548

g/cm³

Volume

1,114.64

Å³

Cell a

10.0999

Cell b

10.7754

Cell c

10.9947

α Angle

73.51

β Angle

81.71

γ Angle

77.21

Space Group

P-1

Point Group

-1

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
12.12	7.3009	4.0	(1,1,1)
12.87	6.8773	7.1	(1,0,-1)
16.86	5.2573	4.9	(0,1,2)
18.53	4.7877	24.3	(2,1,0)
21.19	4.1922	1.1	(1,-2,0)
21.35	4.1616	1.1	(0,2,-1)
22.95	3.8746	1.0	(1,-1,2)
24.22	3.6742	8.1	(1,-2,1)
24.38	3.6504	23.8	(2,2,2)
25.91	3.4387	20.0	(2,0,-2)
26.36	3.3813	6.7	(0,3,0)
26.55	3.3569	42.0	(1,2,3)
27.45	3.2489	6.2	(0,2,-2)
27.59	3.2325	6.2	(2,-2,0)
27.62	3.2294	100.0	(1,-1,-3)
27.96	3.1910	5.8	(2,-1,2)
28.74	3.1064	94.4	(3,2,1)
28.98	3.0807	5.4	(1,-3,-1)
29.53	3.0246	2.0	(1,-3,0)
29.54	3.0236	2.0	(1,-2,2)
29.74	3.0045	46.2	(3,1,-1)
29.79	2.9990	1.9	(2,-2,1)
29.80	2.9984	1.9	(0,3,-1)
29.88	2.9901	5.0	(1,3,-1)

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Energy Properties

Formation Energy/atom

-1.50104

eV/atom

Energy/atom

-6.99882

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-6.5714

eV/atom

Volume/atom

12.38

Å³

c/a Ratio

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

7.4244

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.006660

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

O · 0.622

Element Family

Metalloid-Nonmetal

Solute Fraction

0.378

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.8390

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

6.9755

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

50.159%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.7552

smaller = more stable mixing

VEC

5.422

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7637

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.605

Family

O-rich Multi-Component

Matrix Element

O · 0.622

Related Tasks

Related computation task IDs (1)

aaaebblj

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-758025

Reference Citation

The crystal structure and related material properties of Ba3(RhO2)14 were obtained from the Materials Project database (MP-ID: mp-758025, 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_Ba3(RhO2)14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.09985000
_cell_length_b   10.77538780
_cell_length_c   10.99471692
_cell_angle_alpha   73.51075722
_cell_angle_beta   81.70654376
_cell_angle_gamma   77.21413311
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba3(RhO2)14
_chemical_formula_sum   'Ba6 Rh28 O56'
_cell_volume   1114.64243246
_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
  Ba  Ba0  1  0.42340900  0.65319000  0.42502900  1.0
  Ba  Ba1  1  0.57659100  0.34681000  0.57497100  1.0
  Ba  Ba2  1  0.89897100  0.70187300  0.89930600  1.0
  Ba  Ba3  1  0.73104600  0.03602000  0.73164400  1.0
  Ba  Ba4  1  0.26895400  0.96398000  0.26835600  1.0
  Ba  Ba5  1  0.10102900  0.29812700  0.10069400  1.0
  Rh  Rh6  1  0.83313600  0.49045700  0.64506300  1.0
  Rh  Rh7  1  0.81694000  0.55257400  0.31426300  1.0
  Rh  Rh8  1  0.73732100  0.36531300  0.92652500  1.0
  Rh  Rh9  1  0.60924700  0.59007300  0.11808300  1.0
  Rh  Rh10  1  0.89530100  0.02045000  0.40281600  1.0
  Rh  Rh11  1  0.75148000  0.30577000  0.26078200  1.0
  Rh  Rh12  1  0.88034900  0.07933700  0.06914100  1.0
  Rh  Rh13  1  0.39075300  0.40992700  0.88191700  1.0
  Rh  Rh14  1  0.40467700  0.34898700  0.21723900  1.0
  Rh  Rh15  1  0.69005000  0.77689200  0.50303000  1.0
  Rh  Rh16  1  0.54698600  0.06299200  0.36052900  1.0
  Rh  Rh17  1  0.26267900  0.63468700  0.07347500  1.0
  Rh  Rh18  1  0.53153500  0.12400100  0.02589300  1.0
  Rh  Rh19  1  0.67362500  0.83847800  0.17058200  1.0
  Rh  Rh20  1  0.18306000  0.44742600  0.68573700  1.0
  Rh  Rh21  1  0.32637500  0.16152200  0.82941800  1.0
  Rh  Rh22  1  0.30995000  0.22310800  0.49697000  1.0
  Rh  Rh23  1  0.59532300  0.65101300  0.78276100  1.0
  Rh  Rh24  1  0.16686400  0.50954300  0.35493700  1.0
  Rh  Rh25  1  0.45301400  0.93700800  0.63947100  1.0
  Rh  Rh26  1  0.46846500  0.87599900  0.97410700  1.0
  Rh  Rh27  1  0.97632800  0.20543800  0.78688500  1.0
  Rh  Rh28  1  0.10469900  0.97955000  0.59718400  1.0
  Rh  Rh29  1  0.96043300  0.26575900  0.45582500  1.0
  Rh  Rh30  1  0.24852000  0.69423000  0.73921800  1.0
  Rh  Rh31  1  0.11965100  0.92066300  0.93085900  1.0
  Rh  Rh32  1  0.03956700  0.73424100  0.54417500  1.0
  Rh  Rh33  1  0.02367200  0.79456200  0.21311500  1.0
  O  O34  1  0.78870000  0.54074600  0.81582300  1.0
  O  O35  1  0.91813200  0.37892500  0.27430900  1.0
  O  O36  1  0.83331600  0.42884400  0.49122700  1.0
  O  O37  1  0.77929600  0.31193700  0.75282800  1.0
  O  O38  1  0.63630900  0.59772000  0.60936000  1.0
  O  O39  1  0.92399000  0.02746400  0.89649400  1.0
  O  O40  1  0.73704700  0.42729100  0.08202800  1.0
  O  O41  1  0.88099400  0.14393000  0.22350900  1.0
  O  O42  1  0.64571700  0.48079300  0.30544600  1.0
  O  O43  1  0.78928800  0.19409700  0.44813100  1.0
  O  O44  1  0.55593300  0.47488400  0.88068400  1.0
  O  O45  1  0.69835000  0.18791900  0.02224800  1.0
  O  O46  1  0.84137600  0.90234400  0.16598500  1.0
  O  O47  1  0.87235500  0.66843000  0.54921900  1.0
  O  O48  1  0.58598400  0.23969500  0.26465700  1.0
  O  O49  1  0.44406700  0.52511600  0.11931600  1.0
  O  O50  1  0.72881000  0.95437300  0.40769800  1.0
  O  O51  1  0.35428300  0.51920700  0.69455400  1.0
  O  O52  1  0.49676400  0.23353100  0.83898600  1.0
  O  O53  1  0.26295300  0.57270900  0.91797200  1.0
  O  O54  1  0.50679500  0.11571000  0.53331400  1.0
  O  O55  1  0.36369100  0.40228000  0.39064000  1.0
  O  O56  1  0.64851400  0.82855800  0.67501800  1.0
  O  O57  1  0.63748300  0.94803000  0.98503700  1.0
  O  O58  1  0.77530500  0.66265400  0.13331900  1.0
  O  O59  1  0.40253000  0.28739400  0.06152800  1.0
  O  O60  1  0.54612600  0.00226300  0.20484200  1.0
  O  O61  1  0.68924900  0.71581400  0.34863100  1.0
  O  O62  1  0.31075100  0.28418600  0.65136900  1.0
  O  O63  1  0.45387400  0.99773700  0.79515800  1.0
  O  O64  1  0.16668400  0.57115600  0.50877300  1.0
  O  O65  1  0.22469500  0.33734600  0.86668100  1.0
  O  O66  1  0.08186800  0.62107500  0.72569100  1.0
  O  O67  1  0.35148600  0.17144200  0.32498200  1.0
  O  O68  1  0.21130000  0.45925400  0.18417700  1.0
  O  O69  1  0.49320500  0.88429000  0.46668600  1.0
  O  O70  1  0.59747000  0.71260600  0.93847200  1.0
  O  O71  1  0.50323600  0.76646900  0.16101400  1.0
  O  O72  1  0.36251700  0.05197000  0.01496300  1.0
  O  O73  1  0.98476400  0.61707400  0.30810200  1.0
  O  O74  1  0.27119000  0.04562700  0.59230200  1.0
  O  O75  1  0.12764500  0.33157000  0.45078100  1.0
  O  O76  1  0.41401600  0.76030500  0.73534300  1.0
  O  O77  1  0.15862400  0.09765600  0.83401500  1.0
  O  O78  1  0.01523600  0.38292600  0.69189800  1.0
  O  O79  1  0.30165000  0.81208100  0.97775200  1.0
  O  O80  1  0.06526100  0.09227900  0.41184500  1.0
  O  O81  1  0.21071200  0.80590300  0.55186900  1.0
  O  O82  1  0.97691300  0.14175400  0.63344900  1.0
  O  O83  1  0.11900600  0.85607000  0.77649100  1.0
  O  O84  1  0.93030900  0.25582200  0.95753700  1.0
  O  O85  1  0.22070400  0.68806300  0.24717200  1.0
  O  O86  1  0.07601000  0.97253600  0.10350600  1.0
  O  O87  1  0.02308700  0.85824600  0.36655100  1.0
  O  O88  1  0.93473900  0.90772100  0.58815500  1.0
  O  O89  1  0.06969100  0.74417800  0.04246300  1.0

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