Al4W

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-30336 · Space group: Cm (#8)

Materials Project API

Basic Information

Formula

Al4W

MP-ID

mp-30336

Elements

Sites

Density

6.1248

g/cm³

Volume

237.31

Å³

Cell a

5.1986

Cell b

5.2377

Cell c

9.2219

α Angle

73.49

β Angle

87.26

γ Angle

80.30

Space Group

Point Group

Crystal System

Monoclinic

Bravais Lattice

Stability

Packing Fraction

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
10.00	8.8419	51.5	(0,0,1)
17.31	5.1243	100.0	(1,0,0)
17.90	4.9561	38.9	(0,1,1)
17.90	4.9557	39.0	(0,1,0)
20.03	4.4337	33.5	(1,0,-1)
20.03	4.4333	33.4	(1,0,1)
20.09	4.4209	16.4	(0,0,2)
22.86	3.8907	95.9	(1,1,1)
22.86	3.8906	95.9	(1,1,0)
22.90	3.8841	99.0	(0,1,2)
22.90	3.8835	98.8	(0,1,-1)
26.63	3.3475	83.5	(1,0,-2)
26.63	3.3472	83.4	(1,0,2)
26.97	3.3054	23.7	(1,-1,-1)
26.98	3.3052	23.7	(1,-1,0)
26.99	3.3033	5.8	(1,1,2)
26.99	3.3032	5.8	(1,1,-1)
30.33	2.9473	16.3	(0,0,3)
30.59	2.9223	30.1	(1,-1,-2)
30.60	2.9219	30.2	(1,-1,1)
30.64	2.9180	19.4	(0,1,3)
30.64	2.9176	19.3	(0,1,-2)
34.75	2.5814	10.1	(0,2,1)
35.02	2.5621	8.3	(2,0,0)

Get direct link

Energy Properties

Formation Energy/atom

-0.16068

eV/atom

Energy/atom

-15.81992

eV/atom

Energy above Hull

0.0209

eV/atom

Uncorrected Energy

-15.8199

eV/atom

Volume/atom

15.82

Å³

c/a Ratio

1.7739

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

116.786

GPa

G_VRH

76.786

GPa

Young's Modulus E

188.947

GPa

Poisson Ratio ν

0.230

Pugh Ratio K/G

1.521

Vickers Hardness Est.

12.519

GPa

Ductility

Ductile

Anisotropy

0.259

Lame λ

65.595

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Al · 0.800

Element Family

N/A

Solute Fraction

0.200

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.875

Family

Al-based Alloy

Matrix Element

Al · 0.800

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.2590

Homogeneous Poisson ν

0.2300

Debye Temperature

465.0

Sound Velocity

3,922.0

m/s

Homogeneity

0.2300

Related Tasks

Related computation task IDs (5)

aaadmzef aaadtdzb aaaeldls aaaetyxo aaafdbqt

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-30336

Reference Citation

The crystal structure and related material properties of Al4W were obtained from the Materials Project database (MP-ID: mp-30336, 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…

Style: Ball & Stick | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_Al4W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19855572
_cell_length_b   5.23768427
_cell_length_c   9.22186640
_cell_angle_alpha   73.49442436
_cell_angle_beta   87.26225587
_cell_angle_gamma   80.30141943
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al4W
_chemical_formula_sum   'Al12 W3'
_cell_volume   237.30856286
_cell_formula_units_Z   3
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
  Al  Al0  1  0.51398328  0.85319658  0.00002029  1.0
  Al  Al1  1  0.15230143  0.49561729  0.99990760  1.0
  Al  Al2  1  0.68925138  0.42101877  0.84614295  1.0
  Al  Al3  1  0.68923523  0.26735791  0.15387147  1.0
  Al  Al4  1  0.21587100  0.30307152  0.76361721  1.0
  Al  Al5  1  0.21573220  0.06697698  0.23641112  1.0
  Al  Al6  1  0.80635682  0.94896040  0.75092449  1.0
  Al  Al7  1  0.80618221  0.69997263  0.24918027  1.0
  Al  Al8  1  0.58036719  0.54249637  0.53172534  1.0
  Al  Al9  1  0.58045636  0.07427491  0.46829048  1.0
  Al  Al10  1  0.07156189  0.22706686  0.49958818  1.0
  Al  Al11  1  0.07167286  0.72666606  0.50032848  1.0
  W  W12  1  0.99317549  0.00956020  0.00011753  1.0
  W  W13  1  0.32999001  0.80679383  0.72698841  1.0
  W  W14  1  0.32985967  0.53396869  0.27288718  1.0

Get direct link