Be22W
Traditional Materials TRA Elasticity Data ELAMP-ID: mp-30444 · Space group: Fd-3m (#227)
Basic Information
Formula
Be22W
MP-ID
mp-30444
Elements
2
Sites
46
Density
3.2771
g/cm³
Volume
387.24
ų
Cell a
8.1815
Å
Cell b
8.1815
Å
Cell c
8.1814
Å
α Angle
60.00
°
β Angle
60.00
°
γ Angle
60.00
°
Space Group
Fd-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 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 13.25 | 6.6802 | 85.0 | (1,0,0) |
| 13.25 | 6.6801 | 85.0 | (0,0,1) |
| 21.73 | 4.0908 | 33.3 | (1,-1,0) |
| 21.73 | 4.0907 | 33.3 | (1,0,-1) |
| 21.73 | 4.0907 | 100.0 | (2,1,1) |
| 21.73 | 4.0907 | 33.3 | (1,1,2) |
| 25.53 | 3.4886 | 23.5 | (1,-1,-1) |
| 25.53 | 3.4886 | 23.5 | (1,-1,1) |
| 25.53 | 3.4886 | 11.8 | (2,1,0) |
| 25.53 | 3.4886 | 11.8 | (1,2,0) |
| 25.53 | 3.4886 | 23.5 | (1,1,-1) |
| 25.53 | 3.4886 | 47.0 | (1,0,2) |
| 30.91 | 2.8926 | 41.0 | (2,2,0) |
| 33.77 | 2.6545 | 10.7 | (2,-1,0) |
| 33.77 | 2.6544 | 5.4 | (2,0,-1) |
| 33.77 | 2.6544 | 16.1 | (3,1,1) |
| 33.77 | 2.6544 | 21.4 | (1,0,-2) |
| 33.77 | 2.6544 | 10.7 | (1,1,3) |
| 38.10 | 2.3618 | 7.8 | (2,-1,-1) |
| 38.10 | 2.3618 | 23.3 | (3,0,1) |
| 38.10 | 2.3618 | 7.8 | (3,1,0) |
| 38.10 | 2.3618 | 7.8 | (1,3,0) |
| 38.10 | 2.3618 | 15.5 | (1,1,-2) |
| 38.10 | 2.3618 | 7.8 | (0,1,3) |
Energy Properties
Formation Energy/atom
-0.04123
eV/atom
Energy/atom
-4.18145
eV/atom
Energy above Hull
0.0176
eV/atom
Uncorrected Energy
-6.4246
eV/atom
Volume/atom
8.42
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
133.551
GPa
GVRH
149.843
GPa
Young's Modulus E
327.169
GPa
Poisson Ratio ν
0.092
Pugh Ratio K/G
0.891
Vickers Hardness Est.
39.881
GPa
Ductility
Ductile
Anisotropy
0.011
Lame λ
33.656
GPa
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Be · 0.957
Element Family
N/A
Solute Fraction
0.043
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.657
Family
Binary Alloy
Matrix Element
Be · 0.957
Elasticity Features
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.0110
Homogeneous Poisson ν
0.0920
Debye Temperature
1,080.8
K
Sound Velocity
7,386.7
m/s
Homogeneity
0.0920
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-30444
Reference Citation
The crystal structure and related material properties of Be22W were obtained from the Materials Project database (MP-ID: mp-30444, 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_Be22W
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.18146849
_cell_length_b 8.18146688
_cell_length_c 8.18135182
_cell_angle_alpha 60.00046928
_cell_angle_beta 60.00047577
_cell_angle_gamma 60.00093446
_symmetry_Int_Tables_number 1
_chemical_formula_structural Be22W
_chemical_formula_sum 'Be44 W2'
_cell_volume 387.23863342
_cell_formula_units_Z 2
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 0.50000000 -0.00000000 -0.00000000 1.0
Be Be3 1 0.00000000 0.50000000 -0.00000000 1.0
Be Be4 1 0.50000000 0.50000000 0.50000000 1.0
Be Be5 1 0.50000000 0.50000000 -0.00000000 1.0
Be Be6 1 0.00000000 0.50000000 0.50000000 1.0
Be Be7 1 0.50000000 -0.00000000 0.50000000 1.0
Be Be8 1 0.74043587 0.00956743 0.00958513 1.0
Be Be9 1 0.99042490 0.99042490 0.25957510 1.0
Be Be10 1 0.25957743 0.25957743 0.99042257 1.0
Be Be11 1 0.99043257 0.25956413 0.25958844 1.0
Be Be12 1 0.99043257 0.25956413 0.99041487 1.0
Be Be13 1 0.25956413 0.99043257 0.25958844 1.0
Be Be14 1 0.00956743 0.74043587 0.00958513 1.0
Be Be15 1 0.00957510 0.00957510 0.74042490 1.0
Be Be16 1 0.74042257 0.74042257 0.00957743 1.0
Be Be17 1 0.74043587 0.00956743 0.74041156 1.0
Be Be18 1 0.25956413 0.99043257 0.99041487 1.0
Be Be19 1 0.00956743 0.74043587 0.74041156 1.0
Be Be20 1 0.17628970 0.17628970 0.70405499 1.0
Be Be21 1 0.82369993 0.29595326 0.55664351 1.0
Be Be22 1 0.55663199 0.82371466 0.82371770 1.0
Be Be23 1 0.82371466 0.55663199 0.82371770 1.0
Be Be24 1 0.29595326 0.82369993 0.55664351 1.0
Be Be25 1 0.29594392 0.55664068 0.82370820 1.0
Be Be26 1 0.55664068 0.29594392 0.82370820 1.0
Be Be27 1 0.70404674 0.17630007 0.17629670 1.0
Be Be28 1 0.17630007 0.70404674 0.17629670 1.0
Be Be29 1 0.44336801 0.17628534 0.70406435 1.0
Be Be30 1 0.17628534 0.44336801 0.70406435 1.0
Be Be31 1 0.44336801 0.17628534 0.17628230 1.0
Be Be32 1 0.70404674 0.17630007 0.44335649 1.0
Be Be33 1 0.17630007 0.70404674 0.44335649 1.0
Be Be34 1 0.17628534 0.44336801 0.17628230 1.0
Be Be35 1 0.55663199 0.82371466 0.29593565 1.0
Be Be36 1 0.82371466 0.55663199 0.29593565 1.0
Be Be37 1 0.82371030 0.82371030 0.55663539 1.0
Be Be38 1 0.82371030 0.82371030 0.29594501 1.0
Be Be39 1 0.29595326 0.82369993 0.82370330 1.0
Be Be40 1 0.82369993 0.29595326 0.82370330 1.0
Be Be41 1 0.70405608 0.44335932 0.17629180 1.0
Be Be42 1 0.44335932 0.70405608 0.17629180 1.0
Be Be43 1 0.17628970 0.17628970 0.44336461 1.0
W W44 1 0.37499916 0.37500016 0.37500084 1.0
W W45 1 0.62500084 0.62499984 0.62499916 1.0
