Basic Information
Formula
Be2V
MP-ID
mp-11281
Elements
2
Sites
12
Density
3.9535
g/cm³
Volume
115.87
ų
Cell a
4.3615
Å
Cell b
4.3615
Å
Cell c
7.0332
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P6_3/mmc
Point Group
6/mmm
Crystal System
Hexagonal
Bravais Lattice
hP
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 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 23.55 | 3.7772 | 34.5 | (1,0,-1,0) |
| 23.55 | 3.7772 | 69.0 | (1,-1,0,0) |
| 25.33 | 3.5166 | 49.3 | (0,0,0,2) |
| 26.79 | 3.3277 | 26.0 | (1,0,-1,1) |
| 26.79 | 3.3277 | 26.0 | (0,1,-1,1) |
| 26.79 | 3.3277 | 26.0 | (1,-1,0,1) |
| 34.86 | 2.5738 | 12.7 | (1,0,-1,2) |
| 34.86 | 2.5738 | 25.5 | (1,-1,0,2) |
| 41.40 | 2.1808 | 87.1 | (2,-1,-1,0) |
| 41.40 | 2.1808 | 43.5 | (1,-2,1,0) |
| 45.54 | 1.9919 | 50.0 | (1,0,-1,3) |
| 45.54 | 1.9919 | 100.0 | (1,-1,0,3) |
| 48.18 | 1.8886 | 7.5 | (2,0,-2,0) |
| 48.18 | 1.8886 | 15.1 | (2,-2,0,0) |
| 49.16 | 1.8533 | 30.8 | (1,1,-2,2) |
| 49.16 | 1.8533 | 30.8 | (2,-1,-1,2) |
| 49.16 | 1.8533 | 30.8 | (1,-2,1,2) |
| 50.00 | 1.8240 | 12.3 | (2,0,-2,1) |
| 50.01 | 1.8240 | 24.6 | (2,-2,0,1) |
| 55.21 | 1.6638 | 1.1 | (2,0,-2,2) |
| 55.21 | 1.6638 | 2.3 | (2,-2,0,2) |
| 57.84 | 1.5941 | 1.2 | (1,-1,0,4) |
| 63.23 | 1.4707 | 9.7 | (2,0,-2,3) |
| 63.23 | 1.4707 | 19.3 | (2,-2,0,3) |
Energy Properties
Formation Energy/atom
-0.21818
eV/atom
Energy/atom
-5.73909
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-7.8273
eV/atom
Volume/atom
9.66
ų
c/a Ratio
1.6126
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.0089
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000080
μB/ų
Elastic Properties
KVRH
158.028
GPa
GVRH
137.179
GPa
Young's Modulus E
319.180
GPa
Poisson Ratio ν
0.163
Pugh Ratio K/G
1.152
Vickers Hardness Est.
-
GPa
Ductility
Ductile
Anisotropy
0.011
Lame λ
66.575
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Be · 0.667
Element Family
N/A
Solute Fraction
0.333
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.703
Family
Binary Alloy
Matrix Element
Be · 0.667
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-11281
Reference Citation
The crystal structure and related material properties of Be2V were obtained from the Materials Project database (MP-ID: mp-11281, 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_Be2V
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.36153826
_cell_length_b 4.36152754
_cell_length_c 7.03320941
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99991608
_symmetry_Int_Tables_number 1
_chemical_formula_structural Be2V
_chemical_formula_sum 'Be8 V4'
_cell_volume 115.86782461
_cell_formula_units_Z 4
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
Be Be0 1 -0.00000000 0.00000000 -0.00000000 1.0
Be Be1 1 -0.00000000 0.00000000 0.50000000 1.0
Be Be2 1 0.82860543 0.65721086 0.24999645 1.0
Be Be3 1 0.17139457 0.82860643 0.75000355 1.0
Be Be4 1 0.65720986 0.82860643 0.75000355 1.0
Be Be5 1 0.34279014 0.17139357 0.24999645 1.0
Be Be6 1 0.82860543 0.17139357 0.24999645 1.0
Be Be7 1 0.17139457 0.34278914 0.75000355 1.0
V V8 1 0.33333300 0.66666700 0.06711126 1.0
V V9 1 0.66666700 0.33333300 0.56716174 1.0
V V10 1 0.66666700 0.33333300 0.93288874 1.0
V V11 1 0.33333300 0.66666700 0.43283826 1.0
