AlBi
Traditional Materials TRA Elasticity Data ELAMP-ID: mp-1018132 · Space group: F-43m (#216)
Basic Information
Formula
AlBi
MP-ID
mp-1018132
Elements
2
Sites
2
Density
5.8435
g/cm³
Volume
67.05
ų
Cell a
4.5601
Å
Cell b
4.5601
Å
Cell c
4.5601
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
No
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 11)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 23.90 | 3.7233 | 100.0 | (1,1,1) |
| 27.66 | 3.2245 | 38.7 | (1,1,0) |
| 39.52 | 2.2801 | 52.3 | (2,1,1) |
| 46.72 | 1.9445 | 52.4 | (2,2,1) |
| 48.93 | 1.8617 | 11.5 | (2,2,2) |
| 57.13 | 1.6123 | 9.1 | (2,2,0) |
| 62.81 | 1.4795 | 22.1 | (3,2,2) |
| 64.63 | 1.4420 | 15.4 | (3,2,1) |
| 71.69 | 1.3164 | 18.9 | (3,3,2) |
| 76.80 | 1.2411 | 17.0 | (3,3,3) |
| 85.10 | 1.1400 | 6.3 | (4,2,2) |
Energy Properties
Formation Energy/atom
0.09094
eV/atom
Energy/atom
-32.52624
eV/atom
Energy above Hull
0.0909
eV/atom
Uncorrected Energy
-3.7269
eV/atom
Volume/atom
33.53
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
0.0000
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
KVRH
38.773
GPa
GVRH
21.569
GPa
Young's Modulus E
54.585
GPa
Poisson Ratio ν
0.265
Pugh Ratio K/G
1.798
Vickers Hardness Est.
3.072
GPa
Ductility
Brittle
Anisotropy
0.503
Lame λ
24.394
GPa
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Al · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.729
Family
Al-based Alloy
Matrix Element
Al · 0.500
Elasticity Features
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.5030
Homogeneous Poisson ν
0.2650
Debye Temperature
197.2
K
Sound Velocity
2,136.8
m/s
Homogeneity
0.2650
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1018132
Reference Citation
The crystal structure and related material properties of AlBi were obtained from the Materials Project database (MP-ID: mp-1018132, 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_AlBi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.56014295
_cell_length_b 4.56014295
_cell_length_c 4.56014295
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural AlBi
_chemical_formula_sum 'Al1 Bi1'
_cell_volume 67.05333329
_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
Al Al0 1 0.00000000 0.00000000 0.00000000 1.0
Bi Bi1 1 0.25000000 0.25000000 0.25000000 1.0
