Dy5ReWC7
High-Entropy Materials HEAMP-ID: mp-3295339 · Space group: Amm2 (#38)
Basic Information
Formula
Dy5ReWC7
MP-ID
mp-3295339
Elements
4
Sites
14
Density
10.4952
g/cm³
Volume
200.40
ų
Cell a
8.3600
Å
Cell b
8.3600
Å
Cell c
3.4139
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
122.87
°
Space Group
Amm2
Point Group
mm2
Crystal System
Orthorhombic
Bravais Lattice
oC
Stability
Yes
Packing Fraction
-
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 12.05 | 7.3422 | 20.1 | (1,-1,0,0) |
| 12.61 | 7.0220 | 11.7 | (1,0,-1,0) |
| 24.24 | 3.6711 | 5.3 | (2,-2,0,0) |
| 25.37 | 3.5110 | 2.6 | (2,0,-2,0) |
| 28.84 | 3.0956 | 2.1 | (1,-1,0,1) |
| 29.08 | 3.0702 | 31.7 | (1,0,-1,1) |
| 32.48 | 2.7568 | 17.4 | (3,-2,-1,0) |
| 32.48 | 2.7568 | 17.4 | (2,-3,1,0) |
| 33.13 | 2.7040 | 39.2 | (3,-1,-2,0) |
| 33.13 | 2.7040 | 39.2 | (1,-3,2,0) |
| 33.92 | 2.6427 | 4.6 | (2,-1,-1,1) |
| 33.92 | 2.6427 | 4.6 | (1,-2,1,1) |
| 34.19 | 2.6223 | 35.1 | (2,1,-3,0) |
| 34.55 | 2.5961 | 95.4 | (1,1,-2,1) |
| 35.92 | 2.5000 | 100.0 | (2,-2,0,1) |
| 36.72 | 2.4476 | 2.5 | (2,0,-2,1) |
| 36.72 | 2.4476 | 2.5 | (0,2,-2,1) |
| 36.72 | 2.4474 | 1.7 | (3,-3,0,0) |
| 38.46 | 2.3407 | 14.1 | (3,0,-3,0) |
| 42.13 | 2.1448 | 15.0 | (3,-2,-1,1) |
| 42.66 | 2.1196 | 2.2 | (3,-1,-2,1) |
| 43.52 | 2.0796 | 1.0 | (2,1,-3,1) |
| 44.66 | 2.0291 | 3.0 | (4,-3,-1,0) |
| 44.66 | 2.0291 | 3.0 | (3,-4,1,0) |
Energy Properties
Formation Energy/atom
-0.51513
eV/atom
Energy/atom
-24.32357
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-24.3236
eV/atom
Volume/atom
14.31
ų
c/a Ratio
0.4084
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0002
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
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
1.5625
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
37.515%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.6150
smaller = more stable mixing
VEC
6.500
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-17.551
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7872
SS Former
0
Phase Tendency
AM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3295339
Reference Citation
The crystal structure and related material properties of Dy5ReWC7 were obtained from the Materials Project database (MP-ID: mp-3295339, 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_Dy5ReWC7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.35996108
_cell_length_b 8.35995970
_cell_length_c 3.41385716
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 122.86518798
_symmetry_Int_Tables_number 1
_chemical_formula_structural Dy5ReWC7
_chemical_formula_sum 'Dy5 Re1 W1 C7'
_cell_volume 200.40432163
_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 0.49858541 0.50141459 0.00000000 1.0
Dy Dy1 1 0.07517573 0.33405371 0.50000000 1.0
Dy Dy2 1 0.92781368 0.66837937 0.50000000 1.0
Dy Dy3 1 0.66594629 0.92482427 0.50000000 1.0
Dy Dy4 1 0.33162063 0.07218632 0.50000000 1.0
Re Re5 1 0.28613139 0.71386861 0.00000000 1.0
W W6 1 0.71398785 0.28601215 0.00000000 1.0
C C7 1 0.62511800 0.37488200 0.50000000 1.0
C C8 1 0.37298090 0.62701910 0.50000000 1.0
C C9 1 0.00008494 0.99991506 0.00000000 1.0
C C10 1 0.16933946 0.16804475 0.00000000 1.0
C C11 1 0.83195525 0.83066054 0.00000000 1.0
C C12 1 0.00063817 0.49937769 0.00000000 1.0
C C13 1 0.50062231 0.99936183 0.00000000 1.0
