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Bi14Rh3

Traditional Materials TRA

MP-ID: mp-581527 · Space group: Fddd (#70)

Basic Information

Formula
Bi14Rh3
MP-ID
mp-581527
Elements
2
Sites
34
Density
10.8665
g/cm³
Volume
988.53
ų
Cell a
18.3566
Å
Cell b
16.4382
Å
Cell c
9.5276
Å
α Angle
85.60
°
β Angle
63.23
°
γ Angle
31.16
°
Space Group
Fddd
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
Orthorhombic F
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
11.39 7.7687 3.0 (2,1,1)
13.99 6.3304 16.7 (1,0,0)
19.49 4.5553 2.6 (3,2,0)
22.13 4.0172 1.1 (4,4,0)
23.78 3.7417 7.5 (4,3,0)
24.14 3.6864 1.9 (4,2,1)
27.63 3.2285 95.7 (1,1,2)
27.76 3.2138 28.3 (5,3,1)
28.19 3.1652 35.0 (2,0,0)
28.38 3.1445 28.0 (3,0,2)
29.47 3.0306 33.6 (1,-1,3)
29.56 3.0217 100.0 (6,5,1)
29.83 2.9957 4.2 (1,1,-2)
30.01 2.9781 62.0 (6,4,2)
30.73 2.9099 4.8 (3,2,-1)
30.73 2.9094 21.3 (4,1,3)
31.55 2.8356 89.6 (5,2,2)
32.00 2.7972 28.7 (6,4,1)
32.38 2.7650 85.4 (2,2,-2)
33.27 2.6929 20.1 (3,0,1)
33.46 2.6781 15.4 (6,6,0)
33.67 2.6618 7.5 (6,5,0)
34.46 2.6028 16.9 (6,3,2)
34.64 2.5896 3.9 (6,3,3)
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Energy Properties

Formation Energy/atom
-0.09711
eV/atom
Energy/atom
-52.53478
eV/atom
Energy above Hull
0.0209
eV/atom
Uncorrected Energy
-4.6076
eV/atom
Volume/atom
29.07
ų
c/a Ratio
-

Electronic Properties

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

Magnetic Properties

Magnetic
No
Total Mag. Moment
0.0192
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000020
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Bi · 0.824
Element Family
N/A
Solute Fraction
0.176
Interstitial Fraction
0.000

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.702
Family
Binary Alloy
Matrix Element
Bi · 0.824

Related Tasks

Related computation task IDs (1)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-581527
Reference Citation

The crystal structure and related material properties of Bi14Rh3 were obtained from the Materials Project database (MP-ID: mp-581527, 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_Bi14Rh3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   18.35657574
_cell_length_b   16.43819856
_cell_length_c   9.52758615
_cell_angle_alpha   85.60101118
_cell_angle_beta   63.23431650
_cell_angle_gamma   31.16467232
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Bi14Rh3
_chemical_formula_sum   'Bi28 Rh6'
_cell_volume   988.52743669
_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
  Bi  Bi0  1  0.08220700  0.81285500  0.79704700  1.0
  Bi  Bi1  1  0.17254300  0.54397000  0.88852500  1.0
  Bi  Bi2  1  0.22317500  0.77682500  0.22317500  1.0
  Bi  Bi3  1  0.94210900  0.45295300  0.43714500  1.0
  Bi  Bi4  1  0.82043900  0.78566800  0.44412500  1.0
  Bi  Bi5  1  0.30023300  0.80587500  0.46433200  1.0
  Bi  Bi6  1  0.79704700  0.30789100  0.08220700  1.0
  Bi  Bi7  1  0.54397000  0.17254300  0.39496200  1.0
  Bi  Bi8  1  0.39496200  0.88852500  0.54397000  1.0
  Bi  Bi9  1  0.94976700  0.44412500  0.78566800  1.0
  Bi  Bi10  1  0.42956100  0.46433200  0.80587500  1.0
  Bi  Bi11  1  0.36147500  0.85503800  0.07745700  1.0
  Bi  Bi12  1  0.16779300  0.43714500  0.45295300  1.0
  Bi  Bi13  1  0.88852500  0.39496200  0.17254300  1.0
  Bi  Bi14  1  0.07745700  0.70603000  0.36147500  1.0
  Bi  Bi15  1  0.80587500  0.30023300  0.42956100  1.0
  Bi  Bi16  1  0.47317500  0.02682500  0.47317500  1.0
  Bi  Bi17  1  0.30789100  0.79704700  0.81285500  1.0
  Bi  Bi18  1  0.46433200  0.42956100  0.30023300  1.0
  Bi  Bi19  1  0.45295300  0.94210900  0.16779300  1.0
  Bi  Bi20  1  0.77682500  0.22317500  0.77682500  1.0
  Bi  Bi21  1  0.43714500  0.16779300  0.94210900  1.0
  Bi  Bi22  1  0.02682500  0.47317500  0.02682500  1.0
  Bi  Bi23  1  0.44412500  0.94976700  0.82043900  1.0
  Bi  Bi24  1  0.78566800  0.82043900  0.94976700  1.0
  Bi  Bi25  1  0.85503800  0.36147500  0.70603000  1.0
  Bi  Bi26  1  0.81285500  0.08220700  0.30789100  1.0
  Bi  Bi27  1  0.70603000  0.07745700  0.85503800  1.0
  Rh  Rh28  1  0.62500000  0.62500000  0.12500000  1.0
  Rh  Rh29  1  0.75000000  0.75000000  0.75000000  1.0
  Rh  Rh30  1  0.62500000  0.12500000  0.62500000  1.0
  Rh  Rh31  1  0.62500000  0.62500000  0.62500000  1.0
  Rh  Rh32  1  0.12500000  0.62500000  0.62500000  1.0
  Rh  Rh33  1  0.50000000  0.50000000  0.50000000  1.0
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