Dy2Si4Tc7W

High-Entropy Materials HEA

MP-ID: mp-3292057 · Space group: Pm (#6)

Materials Project API

Basic Information

Formula

Dy2Si4Tc7W

MP-ID

mp-3292057

Elements

Sites

Density

9.7571

g/cm³

Volume

222.47

Å³

Cell a

6.9483

Cell b

7.6633

Cell c

4.1780

α Angle

90.00

β Angle

90.00

γ Angle

89.93

Space Group

Point Group

Crystal System

Monoclinic

Bravais Lattice

Stability

Yes

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
11.55	7.6633	6.9	(0,1,0)
12.74	6.9482	6.3	(1,0,0)
17.22	5.1505	9.5	(1,1,0)
17.24	5.1444	4.9	(1,-1,0)
21.27	4.1780	2.2	(0,0,1)
23.21	3.8317	9.0	(0,2,0)
24.26	3.6683	9.2	(0,1,1)
24.87	3.5806	28.4	(1,0,1)
25.64	3.4741	17.1	(2,0,0)
26.55	3.3570	4.0	(1,2,0)
26.58	3.3536	4.3	(1,-2,0)
27.49	3.2447	48.3	(1,1,1)
27.50	3.2432	30.9	(1,-1,1)
31.69	2.8239	1.9	(0,2,1)
33.55	2.6713	1.7	(2,0,1)
34.27	2.6169	78.5	(1,2,1)
34.29	2.6153	50.1	(1,-2,1)
34.84	2.5752	14.2	(2,2,0)
34.88	2.5722	4.5	(2,-2,0)
35.58	2.5231	59.3	(2,1,1)
35.60	2.5217	84.0	(2,-1,1)
37.50	2.3985	45.6	(1,3,0)
37.53	2.3966	62.9	(1,-3,0)
40.68	2.2178	28.4	(3,1,0)

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Energy Properties

Formation Energy/atom

-0.59117

eV/atom

Energy/atom

-24.31824

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-24.3182

eV/atom

Volume/atom

15.89

Å³

c/a Ratio

0.6013

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0005

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

Tc · 0.500

Element Family

4d-TM

Solute Fraction

0.500

Interstitial Fraction

0.286

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.1710

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.7357

J/mol·K

Ω Parameter

8.7496

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

13.199%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2776

smaller = more stable mixing

VEC

5.500

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-2.449

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8447

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfhxp

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3292057

Reference Citation

The crystal structure and related material properties of Dy2Si4Tc7W were obtained from the Materials Project database (MP-ID: mp-3292057, 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_Dy2Si4Tc7W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.94824955
_cell_length_b   7.66333376
_cell_length_c   4.17802741
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.93268677
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy2Si4Tc7W
_chemical_formula_sum   'Dy2 Si4 Tc7 W1'
_cell_volume   222.46624980
_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
  Dy  Dy0  1  0.49990987  0.49770181  0.50000000  1.0
  Dy  Dy1  1  0.99918854  0.99913762  0.00000000  1.0
  Si  Si2  1  0.77498923  0.19425013  0.50000000  1.0
  Si  Si3  1  0.22806849  0.80809016  0.50000000  1.0
  Si  Si4  1  0.27155553  0.30739330  0.00000000  1.0
  Si  Si5  1  0.72990326  0.68884657  0.00000000  1.0
  Tc  Tc6  1  0.34347202  0.11087014  0.50000000  1.0
  Tc  Tc7  1  0.15380076  0.60882064  0.00000000  1.0
  Tc  Tc8  1  0.84929378  0.38957536  0.00000000  1.0
  Tc  Tc9  1  0.91861278  0.65789396  0.50000000  1.0
  Tc  Tc10  1  0.08191449  0.34318029  0.50000000  1.0
  Tc  Tc11  1  0.58254228  0.16316637  0.00000000  1.0
  Tc  Tc12  1  0.41952345  0.84056865  0.00000000  1.0
  W  W13  1  0.64722751  0.89050499  0.50000000  1.0

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