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Bi8Rh8O27

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-766286 · Space group: R3m (#160)

Materials Project API

Basic Information

Formula
Bi8Rh8O27
MP-ID
mp-766286
Elements
3
Sites
43
Density
8.7835
g/cm³
Volume
553.37
ų
Cell a
12.6667
Å
Cell b
12.6667
Å
Cell c
12.6667
Å
α Angle
33.57
°
β Angle
33.57
°
γ Angle
33.57
°
Space Group
R3m
Point Group
3m
Crystal System
Trigonal
Bravais Lattice
Trigonal R
Stability
No
Packing Fraction
0.7400

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
14.83 5.9724 9.6 (1,1,0)
14.84 5.9710 3.2 (2,2,2)
28.62 3.1190 2.1 (2,0,0)
28.62 3.1188 4.1 (3,2,1)
28.63 3.1184 2.0 (4,3,3)
29.92 2.9862 100.0 (2,2,0)
29.93 2.9855 32.9 (4,4,4)
34.69 2.5860 48.3 (4,2,2)
37.91 2.3732 3.4 (2,1,-1)
37.91 2.3732 1.7 (2,-1,1)
37.92 2.3730 2.6 (4,4,2)
37.92 2.3727 1.6 (5,4,5)
45.57 1.9908 1.5 (4,1,1)
45.57 1.9907 2.7 (5,3,2)
45.57 1.9905 1.4 (6,4,4)
49.87 1.8287 30.3 (2,0,-2)
49.88 1.8284 29.6 (6,6,4)
52.32 1.7486 1.1 (3,0,-1)
52.32 1.7485 1.1 (4,2,0)
59.25 1.5595 14.7 (4,0,0)
59.26 1.5594 29.0 (6,4,2)
59.26 1.5592 14.2 (8,6,6)
62.17 1.4931 10.7 (4,4,0)
62.19 1.4927 3.4 (8,8,8)
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Energy Properties

Formation Energy/atom
-1.43805
eV/atom
Energy/atom
-6.63874
eV/atom
Energy above Hull
0.0092
eV/atom
Uncorrected Energy
-6.2074
eV/atom
Volume/atom
12.87
ų
c/a Ratio
1.0000

Electronic Properties

Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
No
Total Mag. Moment
0.0027
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
O · 0.628
Element Family
Metalloid-Nonmetal
Solute Fraction
0.372
Interstitial Fraction
0.000

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.9180
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
7.6320
J/mol·K
Ω Parameter
1.4690
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
46.328%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.6286
smaller = more stable mixing
VEC
5.116
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
2.867
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8356
SS Former
0
Phase Tendency
IM

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.589
Family
O-rich Multi-Component
Matrix Element
O · 0.628

Related Tasks

Related computation task IDs (2)
aaabzfcl aaaecdjw

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-766286
Reference Citation

The crystal structure and related material properties of Bi8Rh8O27 were obtained from the Materials Project database (MP-ID: mp-766286, 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…

Style: Ball & Stick
Raw CIF Data 
# generated using pymatgen
data_Bi8Rh8O27
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.66669204
_cell_length_b   12.66669204
_cell_length_c   12.66669237
_cell_angle_alpha   33.56543591
_cell_angle_beta   33.56543591
_cell_angle_gamma   33.56543567
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Bi8Rh8O27
_chemical_formula_sum   'Bi8 Rh8 O27'
_cell_volume   553.36826946
_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
  Bi  Bi0  1  0.50395100  0.50395100  0.50395100  1.0
  Bi  Bi1  1  0.25730600  0.74375400  0.74375400  1.0
  Bi  Bi2  1  0.74375400  0.25730600  0.74375400  1.0
  Bi  Bi3  1  0.99901300  0.99901300  0.99901300  1.0
  Bi  Bi4  1  0.74375400  0.74375400  0.25730600  1.0
  Bi  Bi5  1  0.25137800  0.75026000  0.25137800  1.0
  Bi  Bi6  1  0.75026000  0.25137800  0.25137800  1.0
  Bi  Bi7  1  0.25137800  0.25137800  0.75026000  1.0
  Rh  Rh8  1  0.99934900  0.99934900  0.50048600  1.0
  Rh  Rh9  1  0.50048600  0.99934900  0.99934900  1.0
  Rh  Rh10  1  0.99934900  0.50048600  0.99934900  1.0
  Rh  Rh11  1  0.25072600  0.25072600  0.25072600  1.0
  Rh  Rh12  1  0.49884200  0.49884200  0.00228000  1.0
  Rh  Rh13  1  0.00228000  0.49884200  0.49884200  1.0
  Rh  Rh14  1  0.49884200  0.00228000  0.49884200  1.0
  Rh  Rh15  1  0.75000900  0.75000900  0.75000900  1.0
  O  O16  1  0.70804000  0.70804000  0.12391300  1.0
  O  O17  1  0.08094900  0.08094900  0.50697700  1.0
  O  O18  1  0.00310400  0.41553600  0.41553600  1.0
  O  O19  1  0.12391300  0.70804000  0.70804000  1.0
  O  O20  1  0.41553600  0.00310400  0.41553600  1.0
  O  O21  1  0.70804000  0.12391300  0.70804000  1.0
  O  O22  1  0.20903700  0.20903700  0.62409900  1.0
  O  O23  1  0.50697700  0.08094900  0.08094900  1.0
  O  O24  1  0.79184700  0.37122700  0.79184700  1.0
  O  O25  1  0.37122700  0.79184700  0.79184700  1.0
  O  O26  1  0.08094900  0.50697700  0.08094900  1.0
  O  O27  1  0.93142300  0.93142300  0.93142300  1.0
  O  O28  1  0.41553600  0.41553600  0.00310400  1.0
  O  O29  1  0.58348700  0.58348700  0.99991100  1.0
  O  O30  1  0.20903700  0.62409900  0.20903700  1.0
  O  O31  1  0.06163700  0.06163700  0.06163700  1.0
  O  O32  1  0.62409900  0.20903700  0.20903700  1.0
  O  O33  1  0.91738800  0.49837500  0.91738800  1.0
  O  O34  1  0.49837500  0.91738800  0.91738800  1.0
  O  O35  1  0.79184700  0.79184700  0.37122700  1.0
  O  O36  1  0.99991100  0.58348700  0.58348700  1.0
  O  O37  1  0.87230000  0.29363600  0.29363600  1.0
  O  O38  1  0.58348700  0.99991100  0.58348700  1.0
  O  O39  1  0.29363600  0.87230000  0.29363600  1.0
  O  O40  1  0.44402900  0.44402900  0.44402900  1.0
  O  O41  1  0.91738800  0.91738800  0.49837500  1.0
  O  O42  1  0.29363600  0.29363600  0.87230000  1.0
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