Tb5RuWC7

High-Entropy Materials HEA

MP-ID: mp-3294468 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

Tb5RuWC7

MP-ID

mp-3294468

Elements

Sites

Density

9.5293

g/cm³

Volume

202.77

Å³

Cell a

8.3321

Cell b

8.3321

Cell c

3.4781

α Angle

90.00

β Angle

90.00

γ Angle

122.89

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
12.09	7.3185	10.5	(1,-1,0,0)
12.65	6.9968	14.4	(1,0,-1,0)
21.36	4.1606	1.7	(2,-1,-1,0)
21.36	4.1606	1.7	(1,-2,1,0)
22.32	3.9829	1.1	(1,1,-2,0)
24.32	3.6592	9.5	(2,-2,0,0)
25.61	3.4781	2.6	(0,0,0,1)
28.66	3.1145	34.4	(1,0,-1,1)
32.59	2.7477	14.6	(3,-2,-1,0)
32.59	2.7477	14.6	(2,-3,1,0)
33.25	2.6946	37.1	(3,-1,-2,0)
33.25	2.6946	37.1	(1,-3,2,0)
33.58	2.6685	7.7	(2,-1,-1,1)
34.23	2.6198	91.0	(1,1,-2,1)
34.32	2.6126	36.1	(2,1,-3,0)
35.61	2.5210	100.0	(2,-2,0,1)
36.43	2.4665	2.2	(2,0,-2,1)
36.84	2.4395	3.0	(3,-3,0,0)
38.60	2.3323	6.5	(3,0,-3,0)
38.60	2.3323	6.5	(0,3,-3,0)
41.90	2.1561	11.7	(3,-2,-1,1)
42.43	2.1302	2.7	(3,-1,-2,1)
42.43	2.1302	2.7	(1,-3,2,1)
43.31	2.0889	1.7	(2,1,-3,1)

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Energy Properties

Formation Energy/atom

-0.47661

eV/atom

Energy/atom

-22.08769

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-22.0877

eV/atom

Volume/atom

14.48

Å³

c/a Ratio

0.4174

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

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

2.1582

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

37.523%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.6728

smaller = more stable mixing

VEC

6.214

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)

aaahflmi

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3294468

Reference Citation

The crystal structure and related material properties of Tb5RuWC7 were obtained from the Materials Project database (MP-ID: mp-3294468, 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_Tb5RuWC7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.33208501
_cell_length_b   8.33208375
_cell_length_c   3.47813369
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   122.88761617
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb5RuWC7
_chemical_formula_sum   'Tb5 Ru1 W1 C7'
_cell_volume   202.76687440
_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
  Tb  Tb0  1  0.50205771  0.49794229  0.00000000  1.0
  Tb  Tb1  1  0.07055148  0.33205452  0.50000000  1.0
  Tb  Tb2  1  0.92358323  0.66362232  0.50000000  1.0
  Tb  Tb3  1  0.66794548  0.92944852  0.50000000  1.0
  Tb  Tb4  1  0.33637768  0.07641677  0.50000000  1.0
  Ru  Ru5  1  0.71080136  0.28919864  0.00000000  1.0
  W  W6  1  0.28696206  0.71303794  0.00000000  1.0
  C  C7  1  0.63221384  0.36778616  0.50000000  1.0
  C  C8  1  0.37517633  0.62482367  0.50000000  1.0
  C  C9  1  0.99888766  0.00111234  0.00000000  1.0
  C  C10  1  0.16839421  0.17025811  0.00000000  1.0
  C  C11  1  0.82974189  0.83160579  0.00000000  1.0
  C  C12  1  0.00089684  0.50358677  0.00000000  1.0
  C  C13  1  0.49641323  0.99910316  0.00000000  1.0

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