Basic Information
Formula
Be2W
MP-ID
mp-11282
Elements
2
Sites
12
Density
10.7280
g/cm³
Volume
124.98
ų
Cell a
4.4441
Å
Cell b
4.4441
Å
Cell c
7.3072
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 |
|---|---|---|---|
| 23.11 | 3.8487 | 57.8 | (0,1,-1,0) |
| 23.11 | 3.8487 | 57.8 | (1,0,-1,0) |
| 23.11 | 3.8487 | 57.8 | (1,-1,0,0) |
| 24.36 | 3.6536 | 100.0 | (0,0,0,2) |
| 26.17 | 3.4053 | 19.4 | (0,1,-1,-1) |
| 26.17 | 3.4053 | 19.4 | (0,1,-1,1) |
| 26.17 | 3.4053 | 19.4 | (1,0,-1,-1) |
| 26.17 | 3.4053 | 19.4 | (1,0,-1,1) |
| 26.17 | 3.4052 | 19.4 | (1,-1,0,1) |
| 26.17 | 3.4052 | 19.4 | (1,-1,0,-1) |
| 33.83 | 2.6498 | 11.5 | (0,1,-1,-2) |
| 33.83 | 2.6498 | 23.0 | (1,0,-1,-2) |
| 33.83 | 2.6498 | 11.5 | (1,0,-1,2) |
| 33.83 | 2.6498 | 11.5 | (1,-1,0,2) |
| 33.83 | 2.6498 | 11.5 | (1,-1,0,-2) |
| 40.60 | 2.2221 | 60.6 | (1,1,-2,0) |
| 40.60 | 2.2221 | 60.6 | (1,-2,1,0) |
| 40.60 | 2.2220 | 60.6 | (2,-1,-1,0) |
| 43.99 | 2.0582 | 32.5 | (0,1,-1,-3) |
| 43.99 | 2.0582 | 32.5 | (1,0,-1,-3) |
| 43.99 | 2.0582 | 32.5 | (0,1,-1,3) |
| 43.99 | 2.0582 | 65.0 | (1,0,-1,3) |
| 43.99 | 2.0582 | 32.5 | (1,-1,0,-3) |
| 47.23 | 1.9244 | 10.2 | (0,2,-2,0) |
Energy Properties
Formation Energy/atom
-0.30359
eV/atom
Energy/atom
-7.11591
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-20.3276
eV/atom
Volume/atom
10.42
ų
c/a Ratio
1.6443
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
217.897
GPa
GVRH
168.390
GPa
Young's Modulus E
401.694
GPa
Poisson Ratio ν
0.193
Pugh Ratio K/G
1.294
Vickers Hardness Est.
26.680
GPa
Ductility
Ductile
Anisotropy
0.018
Lame λ
105.637
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Be · 0.667
Element Family
Alkali-AlkEarth
Solute Fraction
0.333
Interstitial Fraction
0.000
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.0180
Homogeneous Poisson ν
0.1930
Debye Temperature
595.7
K
Sound Velocity
4,370.4
m/s
Homogeneity
0.1930
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-11282
Reference Citation
The crystal structure and related material properties of Be2W were obtained from the Materials Project database (MP-ID: mp-11282, 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_Be2W
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.44408975
_cell_length_b 4.44409885
_cell_length_c 7.30721564
_cell_angle_alpha 90.00008027
_cell_angle_beta 89.99999328
_cell_angle_gamma 119.99976861
_symmetry_Int_Tables_number 1
_chemical_formula_structural Be2W
_chemical_formula_sum 'Be8 W4'
_cell_volume 124.98275673
_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 0.00000103 0.00000001 0.00002841 1.0
Be Be1 1 -0.00000001 -0.00000001 0.50002879 1.0
Be Be2 1 0.82991336 0.65983136 0.25000404 1.0
Be Be3 1 0.17008834 0.82991479 0.74998250 1.0
Be Be4 1 0.65982876 0.82991638 0.74998076 1.0
Be Be5 1 0.34017346 0.17008623 0.25000484 1.0
Be Be6 1 0.82991036 0.17008100 0.25000304 1.0
Be Be7 1 0.17008534 0.34017055 0.74998150 1.0
W W8 1 0.33333352 0.66666576 0.06326572 1.0
W W9 1 0.66666720 0.33333260 0.56325391 1.0
W W10 1 0.66666623 0.33333412 0.93672644 1.0
W W11 1 0.33333242 0.66666721 0.43674105 1.0
