Be2Si
Traditional Materials TRA Elasticity Data ELAMP-ID: mp-1009829 · Space group: Fm-3m (#225)
Basic Information
Formula
Be2Si
MP-ID
mp-1009829
Elements
2
Sites
3
Density
2.0807
g/cm³
Volume
36.80
ų
Cell a
3.7335
Å
Cell b
3.7335
Å
Cell c
3.7335
Å
α Angle
60.00
°
β Angle
60.00
°
γ Angle
60.00
°
Space Group
Fm-3m
Point Group
m-3m
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 8)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 29.30 | 3.0484 | 100.0 | (1,1,1) |
| 33.96 | 2.6400 | 15.8 | (1,1,0) |
| 48.78 | 1.8668 | 65.6 | (2,1,1) |
| 57.93 | 1.5920 | 39.1 | (2,2,1) |
| 60.77 | 1.5242 | 3.9 | (2,2,2) |
| 71.47 | 1.3200 | 10.7 | (2,2,0) |
| 79.05 | 1.2113 | 16.3 | (3,2,2) |
| 81.53 | 1.1806 | 4.9 | (3,2,1) |
Energy Properties
Formation Energy/atom
0.25882
eV/atom
Energy/atom
-4.04256
eV/atom
Energy above Hull
0.2588
eV/atom
Uncorrected Energy
-4.0662
eV/atom
Volume/atom
12.27
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
0.0004
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000010
μB/ų
Elastic Properties
KVRH
98.660
GPa
GVRH
50.046
GPa
Young's Modulus E
128.423
GPa
Poisson Ratio ν
0.283
Pugh Ratio K/G
1.971
Vickers Hardness Est.
5.918
GPa
Ductility
Brittle
Anisotropy
1.187
Lame λ
65.296
GPa
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Be · 0.667
Element Family
N/A
Solute Fraction
0.333
Interstitial Fraction
0.333
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.530
Family
Binary Alloy
Matrix Element
Be · 0.667
Elasticity Features
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
1.1870
Homogeneous Poisson ν
0.2830
Debye Temperature
705.5
K
Sound Velocity
5,466.5
m/s
Homogeneity
0.2830
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1009829
Reference Citation
The crystal structure and related material properties of Be2Si were obtained from the Materials Project database (MP-ID: mp-1009829, 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_Be2Si
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.73352380
_cell_length_b 3.73352380
_cell_length_c 3.73352380
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Be2Si
_chemical_formula_sum 'Be2 Si1'
_cell_volume 36.79948800
_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
Be Be0 1 0.75000000 0.75000000 0.75000000 1.0
Be Be1 1 0.25000000 0.25000000 0.25000000 1.0
Si Si2 1 0.00000000 0.00000000 0.00000000 1.0
