Navigation

HEAS Data Platform · Materials Science Database

Bi4Rh

Traditional Materials TRA

MP-ID: mp-30467 · Space group: Ia-3d (#230)

Materials Project API

Basic Information

Formula
Bi4Rh
MP-ID
mp-30467
Elements
2
Sites
60
Density
10.7615
g/cm³
Volume
1,738.37
ų
Cell a
13.1196
Å
Cell b
13.1196
Å
Cell c
13.1196
Å
α Angle
109.47
°
β Angle
109.47
°
γ Angle
109.47
°
Space Group
Ia-3d
Point Group
m-3m
Crystal System
Cubic
Bravais Lattice
cI
Stability
No
Packing Fraction
0.6802

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
14.32 6.1847 41.6 (1,1,0)
23.49 3.7873 1.8 (2,2,-2)
26.31 3.3875 1.8 (3,1,-1)
27.62 3.2298 50.0 (2,1,1)
27.62 3.2298 100.0 (4,-1,-2)
28.87 3.0923 50.8 (2,2,0)
30.08 2.9710 25.3 (3,2,-2)
30.08 2.9710 75.8 (4,-1,-3)
32.37 2.7659 36.0 (3,2,-1)
32.37 2.7659 87.5 (4,-3,1)
33.46 2.6780 32.8 (4,0,0)
36.56 2.4575 32.4 (3,3,-2)
36.56 2.4575 77.7 (2,0,3)
37.55 2.3953 12.9 (4,2,-2)
37.55 2.3953 4.3 (4,-2,-4)
38.51 2.3376 7.0 (4,1,0)
40.38 2.2336 1.7 (5,-2,-4)
41.29 2.1866 1.4 (2,2,2)
43.06 2.1008 98.3 (5,1,-1)
43.06 2.1008 19.7 (5,-5,1)
43.92 2.0616 31.3 (4,3,-2)
43.92 2.0616 2.8 (3,-6,0)
44.77 2.0244 9.2 (4,2,0)
44.77 2.0244 22.4 (2,0,4)
Get direct link

Energy Properties

Formation Energy/atom
-0.12133
eV/atom
Energy/atom
-51.75040
eV/atom
Energy above Hull
0.0124
eV/atom
Uncorrected Energy
-51.7504
eV/atom
Volume/atom
28.97
ų
c/a Ratio
1.0000

Electronic Properties

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

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
0.0000
μB
Mag. Ordering
Unknown
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
Bi · 0.800
Element Family
N/A
Solute Fraction
0.200
Interstitial Fraction
0.000

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.716
Family
Binary Alloy
Matrix Element
Bi · 0.800

Related Tasks

Related computation task IDs (2)
aaacbotp aaaekupc

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-30467
Reference Citation

The crystal structure and related material properties of Bi4Rh were obtained from the Materials Project database (MP-ID: mp-30467, 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

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data 
# generated using pymatgen
data_Bi4Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.11963599
_cell_length_b   13.11963540
_cell_length_c   13.11963591
_cell_angle_alpha   109.47122302
_cell_angle_beta   109.47122213
_cell_angle_gamma   109.47121316
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Bi4Rh
_chemical_formula_sum   'Bi48 Rh12'
_cell_volume   1738.37498031
_cell_formula_units_Z   12
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  0.58644317  0.91163122  0.37020975  1.0
  Bi  Bi1  1  0.45857854  0.58836878  0.17481295  1.0
  Bi  Bi2  1  0.17481295  0.45857854  0.58836878  1.0
  Bi  Bi3  1  0.21623441  0.12979025  0.04142146  1.0
  Bi  Bi4  1  0.32518705  0.91163122  0.04142146  1.0
  Bi  Bi5  1  0.28376559  0.32518705  0.91355683  1.0
  Bi  Bi6  1  0.04142146  0.32518705  0.91163122  1.0
  Bi  Bi7  1  0.91163122  0.37020975  0.58644317  1.0
  Bi  Bi8  1  0.91163122  0.04142146  0.32518705  1.0
  Bi  Bi9  1  0.37020975  0.28376559  0.45857854  1.0
  Bi  Bi10  1  0.58644317  0.17481295  0.21623441  1.0
  Bi  Bi11  1  0.58836878  0.91355683  0.12979025  1.0
  Bi  Bi12  1  0.41163122  0.82518705  0.54142146  1.0
  Bi  Bi13  1  0.82518705  0.78376559  0.41355683  1.0
  Bi  Bi14  1  0.87020975  0.41163122  0.08644317  1.0
  Bi  Bi15  1  0.08644317  0.87020975  0.41163122  1.0
  Bi  Bi16  1  0.54142146  0.62979025  0.71623441  1.0
  Bi  Bi17  1  0.71623441  0.54142146  0.62979025  1.0
  Bi  Bi18  1  0.78376559  0.41355683  0.82518705  1.0
  Bi  Bi19  1  0.87020975  0.95857854  0.78376559  1.0
  Bi  Bi20  1  0.08644317  0.71623441  0.67481295  1.0
  Bi  Bi21  1  0.62979025  0.41355683  0.08836878  1.0
  Bi  Bi22  1  0.95857854  0.78376559  0.87020975  1.0
  Bi  Bi23  1  0.67481295  0.08644317  0.71623441  1.0
  Bi  Bi24  1  0.41355683  0.08836878  0.62979025  1.0
  Bi  Bi25  1  0.54142146  0.41163122  0.82518705  1.0
  Bi  Bi26  1  0.82518705  0.54142146  0.41163122  1.0
  Bi  Bi27  1  0.78376559  0.87020975  0.95857854  1.0
  Bi  Bi28  1  0.67481295  0.08836878  0.95857854  1.0
  Bi  Bi29  1  0.71623441  0.67481295  0.08644317  1.0
  Bi  Bi30  1  0.95857854  0.67481295  0.08836878  1.0
  Bi  Bi31  1  0.08836878  0.62979025  0.41355683  1.0
  Bi  Bi32  1  0.08836878  0.95857854  0.67481295  1.0
  Bi  Bi33  1  0.62979025  0.71623441  0.54142146  1.0
  Bi  Bi34  1  0.41355683  0.82518705  0.78376559  1.0
  Bi  Bi35  1  0.41163122  0.08644317  0.87020975  1.0
  Bi  Bi36  1  0.32518705  0.91355683  0.28376559  1.0
  Bi  Bi37  1  0.04142146  0.21623441  0.12979025  1.0
  Bi  Bi38  1  0.37020975  0.58644317  0.91163122  1.0
  Bi  Bi39  1  0.91355683  0.28376559  0.32518705  1.0
  Bi  Bi40  1  0.12979025  0.04142146  0.21623441  1.0
  Bi  Bi41  1  0.21623441  0.58644317  0.17481295  1.0
  Bi  Bi42  1  0.28376559  0.45857854  0.37020975  1.0
  Bi  Bi43  1  0.45857854  0.37020975  0.28376559  1.0
  Bi  Bi44  1  0.91355683  0.12979025  0.58836878  1.0
  Bi  Bi45  1  0.12979025  0.58836878  0.91355683  1.0
  Bi  Bi46  1  0.17481295  0.21623441  0.58644317  1.0
  Bi  Bi47  1  0.58836878  0.17481295  0.45857854  1.0
  Rh  Rh48  1  0.25000000  0.87500000  0.62500000  1.0
  Rh  Rh49  1  0.87500000  0.62500000  0.25000000  1.0
  Rh  Rh50  1  0.62500000  0.87500000  0.75000000  1.0
  Rh  Rh51  1  0.87500000  0.75000000  0.62500000  1.0
  Rh  Rh52  1  0.62500000  0.25000000  0.87500000  1.0
  Rh  Rh53  1  0.75000000  0.62500000  0.87500000  1.0
  Rh  Rh54  1  0.75000000  0.12500000  0.37500000  1.0
  Rh  Rh55  1  0.12500000  0.37500000  0.75000000  1.0
  Rh  Rh56  1  0.37500000  0.12500000  0.25000000  1.0
  Rh  Rh57  1  0.12500000  0.25000000  0.37500000  1.0
  Rh  Rh58  1  0.37500000  0.75000000  0.12500000  1.0
  Rh  Rh59  1  0.25000000  0.37500000  0.12500000  1.0
Get direct link