Basic Information
Formula
InBi
MP-ID
mp-1001833
Elements
2
Sites
2
Density
6.9403
g/cm³
Volume
77.47
ų
Cell a
4.7851
Å
Cell b
4.7851
Å
Cell c
4.7851
Å
α Angle
60.00
°
β Angle
60.00
°
γ Angle
60.00
°
Space Group
F-43m
Point Group
-43m
Crystal System
Cubic
Bravais Lattice
cF
Stability
Yes
Packing Fraction
0.7405
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 13)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 22.76 | 3.9070 | 100.0 | (1,1,1) |
| 26.34 | 3.3835 | 7.2 | (1,1,0) |
| 37.59 | 2.3925 | 78.2 | (2,1,1) |
| 44.40 | 2.0404 | 53.1 | (2,2,1) |
| 46.49 | 1.9535 | 2.4 | (2,2,2) |
| 54.22 | 1.6918 | 13.6 | (2,2,0) |
| 59.55 | 1.5525 | 22.4 | (3,2,2) |
| 61.26 | 1.5132 | 3.4 | (3,2,1) |
| 67.85 | 1.3813 | 28.0 | (3,3,2) |
| 72.59 | 1.3023 | 16.9 | (3,3,3) |
| 80.25 | 1.1963 | 8.9 | (4,2,2) |
| 84.75 | 1.1438 | 17.4 | (4,3,2) |
| 86.24 | 1.1279 | 1.9 | (4,3,3) |
Energy Properties
Formation Energy/atom
-0.07159
eV/atom
Energy/atom
-40.61202
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-40.6120
eV/atom
Volume/atom
38.74
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
KVRH
35.088
GPa
GVRH
14.188
GPa
Young's Modulus E
37.508
GPa
Poisson Ratio ν
0.322
Pugh Ratio K/G
2.473
Vickers Hardness Est.
0.272
GPa
Ductility
Brittle
Anisotropy
0.868
Lame λ
25.629
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
In · 0.500
Element Family
PostTransition-Noble
Solute Fraction
0.500
Interstitial Fraction
0.000
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.8680
Homogeneous Poisson ν
0.3220
Debye Temperature
140.9
K
Sound Velocity
1,601.5
m/s
Homogeneity
0.3220
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1001833
Reference Citation
The crystal structure and related material properties of InBi were obtained from the Materials Project database (MP-ID: mp-1001833, 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
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Raw CIF Data
# generated using pymatgen
data_InBi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.78504577
_cell_length_b 4.78504577
_cell_length_c 4.78504577
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural InBi
_chemical_formula_sum 'In1 Bi1'
_cell_volume 77.47173640
_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
In In0 1 0.00000000 -0.00000000 0.00000000 1.0
Bi Bi1 1 0.75000000 0.75000000 0.75000000 1.0
