Basic Information
Formula
Al3V
MP-ID
mp-1008554
Elements
2
Sites
4
Density
3.6768
g/cm³
Volume
59.56
ų
Cell a
3.9054
Å
Cell b
3.9054
Å
Cell c
3.9054
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pm-3m
Point Group
m-3m
Crystal System
Cubic
Bravais Lattice
cP
Stability
No
Packing Fraction
0.5236
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 10)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 22.77 | 3.9054 | 10.9 | (1,0,0) |
| 32.42 | 2.7615 | 8.6 | (1,1,0) |
| 39.99 | 2.2548 | 100.0 | (1,1,1) |
| 46.51 | 1.9527 | 47.5 | (2,0,0) |
| 52.39 | 1.7465 | 3.6 | (2,1,0) |
| 57.83 | 1.5944 | 2.5 | (2,1,1) |
| 67.88 | 1.3808 | 29.1 | (2,2,0) |
| 72.63 | 1.3018 | 1.4 | (3,0,0) |
| 81.79 | 1.1775 | 33.8 | (3,1,1) |
| 86.29 | 1.1274 | 9.8 | (2,2,2) |
Energy Properties
Formation Energy/atom
-0.20530
eV/atom
Energy/atom
-8.77677
eV/atom
Energy above Hull
0.1386
eV/atom
Uncorrected Energy
-5.2305
eV/atom
Volume/atom
14.89
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
0.1634
μB
Mag. Ordering
FM
Mag. Sites
1
Magnetization/Volume
0.002740
μB/ų
Elastic Properties
KVRH
99.015
GPa
GVRH
67.277
GPa
Young's Modulus E
164.560
GPa
Poisson Ratio ν
0.223
Pugh Ratio K/G
1.472
Vickers Hardness Est.
-
GPa
Ductility
Ductile
Anisotropy
0.613
Lame λ
54.164
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Al · 0.750
Element Family
N/A
Solute Fraction
0.250
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.794
Family
Al-based Alloy
Matrix Element
Al · 0.750
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1008554
Reference Citation
The crystal structure and related material properties of Al3V were obtained from the Materials Project database (MP-ID: mp-1008554, 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_Al3V
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.90535200
_cell_length_b 3.90535200
_cell_length_c 3.90535200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Al3V
_chemical_formula_sum 'Al3 V1'
_cell_volume 59.56354705
_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 0.50000000 0.50000000 0.00000000 1.0
Al Al1 1 0.50000000 0.00000000 0.50000000 1.0
Al Al2 1 0.00000000 0.50000000 0.50000000 1.0
V V3 1 0.00000000 0.00000000 0.00000000 1.0
