B2W

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-10144 · Space group: P6/mmm (#191)

Materials Project API

Basic Information

Formula

B2W

MP-ID

mp-10144

Elements

Sites

Density

12.7518

g/cm³

Volume

26.76

Å³

Cell a

3.0224

Cell b

3.0224

Cell c

3.3820

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P6/mmm

Point Group

6/mmm

Crystal System

Hexagonal

Bravais Lattice

Stability

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 19)

2θ	d (Å)	I	hkl
26.35	3.3820	71.4	(0,0,0,1)
34.26	2.6175	41.1	(1,-1,0,0)
34.26	2.6175	82.3	(1,0,-1,0)
43.73	2.0700	50.0	(1,-1,0,1)
43.73	2.0700	100.0	(1,0,-1,1)
54.24	1.6910	14.3	(0,0,0,2)
61.35	1.5112	19.7	(2,-1,-1,0)
61.35	1.5112	9.8	(1,1,-2,0)
65.74	1.4204	13.0	(1,-1,0,2)
65.74	1.4204	25.9	(1,0,-1,2)
67.94	1.3797	21.9	(2,-1,-1,1)
67.94	1.3797	10.9	(1,1,-2,1)
72.18	1.3087	4.9	(2,-2,0,0)
72.18	1.3087	9.9	(2,0,-2,0)
78.34	1.2205	9.2	(2,-2,0,1)
78.34	1.2205	18.3	(2,0,-2,1)
86.29	1.1273	2.9	(0,0,0,3)
86.34	1.1268	15.7	(2,-1,-1,2)
86.34	1.1268	7.9	(1,1,-2,2)

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Energy Properties

Formation Energy/atom

-0.06323

eV/atom

Energy/atom

-22.08340

eV/atom

Energy above Hull

0.2575

eV/atom

Uncorrected Energy

-8.8477

eV/atom

Volume/atom

8.92

Å³

c/a Ratio

1.1190

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0004

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000020

μB/Å³

Elastic Properties

K_VRH

321.856

GPa

G_VRH

144.049

GPa

Young's Modulus E

376.046

GPa

Poisson Ratio ν

0.305

Pugh Ratio K/G

2.234

Vickers Hardness Est.

11.297

GPa

Ductility

Brittle

Anisotropy

0.845

Lame λ

225.823

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

B · 0.667

Element Family

N/A

Solute Fraction

0.333

Interstitial Fraction

0.667

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.531

Family

Binary Alloy

Matrix Element

B · 0.667

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.8450

Homogeneous Poisson ν

0.3050

Debye Temperature

539.2

Sound Velocity

3,756.7

m/s

Homogeneity

0.3050

Related Tasks

Related computation task IDs (5)

aaadmkcw aaadrbvm aaadxyfz aaaeukfh aaafikad

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-10144

Reference Citation

The crystal structure and related material properties of B2W were obtained from the Materials Project database (MP-ID: mp-10144, 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_B2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.02238682
_cell_length_b   3.02238682
_cell_length_c   3.38202900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00001789
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B2W
_chemical_formula_sum   'B2 W1'
_cell_volume   26.75518593
_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
  B  B0  1  0.66666700  0.33333300  0.50000000  1.0
  B  B1  1  0.33333300  0.66666700  0.50000000  1.0
  W  W2  1  0.00000000  0.00000000  0.00000000  1.0

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