Be2W

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-11282 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

Be2W

MP-ID

mp-11282

Elements

Sites

Density

10.7280

g/cm³

Volume

124.98

Å³

Cell a

4.4441

Cell b

4.4441

Cell c

7.3072

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

Stability

Yes

Packing Fraction

0.7405

X-ray Diffraction

Diffraction Pattern

Target / Radiation

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)

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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

Å³

c/a Ratio

1.6443

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

K_VRH

217.897

GPa

G_VRH

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

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Be · 0.667

Element Family

N/A

Solute Fraction

0.333

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.703

Family

Binary Alloy

Matrix Element

Be · 0.667

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.0180

Homogeneous Poisson ν

0.1930

Debye Temperature

595.7

Sound Velocity

4,370.4

m/s

Homogeneity

0.1930

Related Tasks

Related computation task IDs (5)

aaadncdf aaadssgj aaaelemy aaaeucbs aaafcryo

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

Loading 3D structure…

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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

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