TiNbW14

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3296633 · Space group: Pm-3m (#221)

Materials Project API

Basic Information

Formula

TiNbW14

MP-ID

mp-3296633

Elements

Sites

Density

17.5581

g/cm³

Volume

256.72

Å³

Cell a

6.3556

Cell b

6.3556

Cell c

6.3556

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

Pm-3m

Point Group

m-3m

Crystal System

Cubic

Bravais Lattice

Stability

Yes

Packing Fraction

0.5236

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 14)

2θ	d (Å)	I	hkl
19.75	4.4942	3.8	(1,0,-1)
19.76	4.4940	3.8	(1,1,0)
28.08	3.1778	1.7	(2,0,0)
34.57	2.5947	1.0	(2,-1,-1)
34.57	2.5947	2.0	(2,1,-1)
34.57	2.5946	1.0	(2,1,1)
40.13	2.2471	100.0	(2,0,-2)
40.13	2.2470	100.0	(2,2,0)
58.05	1.5889	34.3	(4,0,0)
72.91	1.2974	17.5	(4,-2,-2)
72.92	1.2973	34.9	(4,2,-2)
72.92	1.2973	17.5	(4,2,2)
86.65	1.1236	11.5	(4,0,-4)
86.66	1.1235	11.5	(4,4,0)

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Energy Properties

Formation Energy/atom

-0.03520

eV/atom

Energy/atom

-47.33651

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-47.3365

eV/atom

Volume/atom

16.05

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0002

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

W · 0.875

Element Family

5d-TM

Solute Fraction

0.125

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.4634

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

3.8528

J/mol·K

Ω Parameter

33.4431

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

1.777%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2615

smaller = more stable mixing

VEC

5.813

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-0.406

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.908

Family

W-rich Multi-Component

Matrix Element

W · 0.875

Related Tasks

Related computation task IDs (1)

aaahforp

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3296633

Reference Citation

The crystal structure and related material properties of TiNbW14 were obtained from the Materials Project database (MP-ID: mp-3296633, 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_TiNbW14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.35558488
_cell_length_b   6.35558488
_cell_length_c   6.35558488
_cell_angle_alpha   90.00282136
_cell_angle_beta   90.00282136
_cell_angle_gamma   90.00282136
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiNbW14
_chemical_formula_sum   'Ti1 Nb1 W14'
_cell_volume   256.72405723
_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
  Ti  Ti0  1  0.99999993  0.99999993  0.99999993  1.0
  Nb  Nb1  1  0.49999948  0.49999948  0.49999948  1.0
  W  W2  1  0.49999980  0.99999975  0.99999975  1.0
  W  W3  1  0.99999975  0.49999980  0.99999975  1.0
  W  W4  1  0.49999975  0.49999975  0.99999968  1.0
  W  W5  1  0.24921455  0.24921455  0.24921455  1.0
  W  W6  1  0.75081324  0.24919309  0.24919309  1.0
  W  W7  1  0.24919309  0.75081324  0.24919309  1.0
  W  W8  1  0.75080644  0.75080644  0.24918632  1.0
  W  W9  1  0.99999975  0.99999975  0.49999980  1.0
  W  W10  1  0.49999975  0.99999968  0.49999975  1.0
  W  W11  1  0.99999968  0.49999975  0.49999975  1.0
  W  W12  1  0.24919309  0.24919309  0.75081324  1.0
  W  W13  1  0.75080644  0.24918632  0.75080644  1.0
  W  W14  1  0.24918632  0.75080644  0.75080644  1.0
  W  W15  1  0.75078493  0.75078493  0.75078493  1.0

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