Dy5RuWC7

High-Entropy Materials HEA

MP-ID: mp-3292969 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

Dy5RuWC7

MP-ID

mp-3292969

Elements

Sites

Density

9.8052

g/cm³

Volume

200.09

Å³

Cell a

8.2867

Cell b

8.2867

Cell c

3.4589

α Angle

90.00

β Angle

90.00

γ Angle

122.60

Space Group

Amm2

Point Group

mm2

Crystal System

Orthorhombic

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
12.18	7.2688	9.9	(1,-1,0,0)
12.68	6.9808	14.8	(1,0,-1,0)
21.47	4.1389	3.4	(2,-1,-1,0)
22.34	3.9792	1.4	(1,1,-2,0)
24.49	3.6344	9.6	(2,-2,0,0)
25.76	3.4589	2.8	(0,0,0,1)
28.81	3.0993	34.0	(1,0,-1,1)
32.79	2.7310	14.3	(3,-2,-1,0)
32.79	2.7310	14.3	(2,-3,1,0)
33.39	2.6835	75.6	(3,-1,-2,0)
33.77	2.6541	7.2	(2,-1,-1,1)
34.35	2.6105	92.2	(1,1,-2,1)
34.36	2.6097	36.0	(2,1,-3,0)
35.84	2.5056	100.0	(2,-2,0,1)
36.57	2.4569	2.1	(2,0,-2,1)
37.11	2.4229	2.9	(3,-3,0,0)
38.70	2.3269	12.4	(3,0,-3,0)
42.16	2.1434	11.6	(3,-2,-1,1)
42.64	2.1203	5.6	(3,-1,-2,1)
43.44	2.0833	1.6	(2,1,-3,1)
45.12	2.0095	3.9	(4,-3,-1,0)
45.60	1.9896	13.4	(2,2,-4,0)
47.07	1.9307	12.5	(3,0,-3,1)
50.20	1.8172	10.2	(4,-4,0,0)

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Energy Properties

Formation Energy/atom

-0.49265

eV/atom

Energy/atom

-22.37351

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-22.3735

eV/atom

Volume/atom

14.29

Å³

c/a Ratio

0.4174

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0019

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000010

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

C · 0.500

Element Family

Metalloid-Nonmetal

Solute Fraction

0.500

Interstitial Fraction

0.500

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0913

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.0731

J/mol·K

Ω Parameter

2.1715

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

37.523%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.6159

smaller = more stable mixing

VEC

6.571

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-12.374

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7872

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfjgr

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3292969

Reference Citation

The crystal structure and related material properties of Dy5RuWC7 were obtained from the Materials Project database (MP-ID: mp-3292969, 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_Dy5RuWC7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.28665813
_cell_length_b   8.28665802
_cell_length_c   3.45892042
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   122.60473311
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy5RuWC7
_chemical_formula_sum   'Dy5 Ru1 W1 C7'
_cell_volume   200.08836405
_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  0.50206582  0.49793418  0.00000000  1.0
  Dy  Dy1  1  0.07173461  0.33296619  0.50000000  1.0
  Dy  Dy2  1  0.92268135  0.66267622  0.50000000  1.0
  Dy  Dy3  1  0.66703381  0.92826539  0.50000000  1.0
  Dy  Dy4  1  0.33732378  0.07731865  0.50000000  1.0
  Ru  Ru5  1  0.71093722  0.28906278  0.00000000  1.0
  W  W6  1  0.28667913  0.71332087  0.00000000  1.0
  C  C7  1  0.63110530  0.36889470  0.50000000  1.0
  C  C8  1  0.37595930  0.62404070  0.50000000  1.0
  C  C9  1  0.99892174  0.00107826  0.00000000  1.0
  C  C10  1  0.16861017  0.17035926  0.00000000  1.0
  C  C11  1  0.82964074  0.83138983  0.00000000  1.0
  C  C12  1  0.00077353  0.50346550  0.00000000  1.0
  C  C13  1  0.49653450  0.99922647  0.00000000  1.0

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