Lu5RuWC7
High-Entropy Materials HEAMP-ID: mp-3294487 · Space group: Amm2 (#38)
Basic Information
Formula
Lu5RuWC7
MP-ID
mp-3294487
Elements
4
Sites
14
Density
10.9649
g/cm³
Volume
188.37
ų
Cell a
8.0905
Å
Cell b
8.0905
Å
Cell c
3.3710
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
121.39
°
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 |
|---|---|---|---|
| 12.55 | 7.0550 | 7.3 | (1,-1,0,0) |
| 12.82 | 6.9067 | 8.1 | (1,0,-1,0) |
| 12.82 | 6.9067 | 8.1 | (0,1,-1,0) |
| 21.98 | 4.0440 | 2.1 | (2,-1,-1,0) |
| 21.98 | 4.0440 | 2.1 | (1,-2,1,0) |
| 22.45 | 3.9602 | 2.9 | (1,1,-2,0) |
| 25.25 | 3.5275 | 10.5 | (2,-2,0,0) |
| 26.44 | 3.3710 | 3.8 | (0,0,0,1) |
| 29.49 | 3.0294 | 32.2 | (1,0,-1,1) |
| 33.72 | 2.6583 | 25.9 | (3,-2,-1,0) |
| 34.04 | 2.6341 | 41.0 | (3,-1,-2,0) |
| 34.04 | 2.6341 | 41.0 | (1,-3,2,0) |
| 34.56 | 2.5951 | 35.3 | (2,1,-3,0) |
| 34.64 | 2.5894 | 5.2 | (2,-1,-1,1) |
| 34.95 | 2.5670 | 97.0 | (1,1,-2,1) |
| 36.88 | 2.4371 | 100.0 | (2,-2,0,1) |
| 38.27 | 2.3517 | 2.5 | (3,-3,0,0) |
| 39.13 | 2.3022 | 10.5 | (3,0,-3,0) |
| 43.35 | 2.0874 | 10.8 | (3,-2,-1,1) |
| 43.61 | 2.0756 | 7.0 | (3,-1,-2,1) |
| 44.04 | 2.0564 | 1.3 | (2,1,-3,1) |
| 45.83 | 1.9801 | 15.9 | (2,2,-4,0) |
| 46.49 | 1.9534 | 3.1 | (4,-3,-1,0) |
| 47.84 | 1.9012 | 12.5 | (3,0,-3,1) |
Energy Properties
Formation Energy/atom
-0.55304
eV/atom
Energy/atom
-24.61178
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-24.6118
eV/atom
Volume/atom
13.45
ų
c/a Ratio
0.4167
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0008
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
2.2357
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
37.523%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.5922
smaller = more stable mixing
VEC
3.714
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-12.374
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7872
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3294487
Reference Citation
The crystal structure and related material properties of Lu5RuWC7 were obtained from the Materials Project database (MP-ID: mp-3294487, 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…
Style: Ball & Stick
|
Drag to rotate · Scroll to zoom · Right-click to pan
Raw CIF Data
# generated using pymatgen
data_Lu5RuWC7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.09048751
_cell_length_b 8.09048721
_cell_length_c 3.37096958
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 121.38534429
_symmetry_Int_Tables_number 1
_chemical_formula_structural Lu5RuWC7
_chemical_formula_sum 'Lu5 Ru1 W1 C7'
_cell_volume 188.36549993
_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
Lu Lu0 1 0.50262756 0.49737244 0.00000000 1.0
Lu Lu1 1 0.07581994 0.33593820 0.50000000 1.0
Lu Lu2 1 0.91856154 0.65851800 0.50000000 1.0
Lu Lu3 1 0.66406180 0.92418006 0.50000000 1.0
Lu Lu4 1 0.34148200 0.08143846 0.50000000 1.0
Ru Ru5 1 0.71229049 0.28770951 0.00000000 1.0
W W6 1 0.28570612 0.71429388 0.00000000 1.0
C C7 1 0.62567809 0.37432191 0.50000000 1.0
C C8 1 0.37957009 0.62042991 0.50000000 1.0
C C9 1 0.99883840 0.00116160 0.00000000 1.0
C C10 1 0.16960568 0.17120674 0.00000000 1.0
C C11 1 0.82879326 0.83039432 0.00000000 1.0
C C12 1 0.00041863 0.50345059 0.00000000 1.0
C C13 1 0.49654941 0.99958137 0.00000000 1.0
