Tm8TaW3C8

High-Entropy Materials HEA

MP-ID: mp-3296078 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

Tm8TaW3C8

MP-ID

mp-3296078

Elements

Sites

Density

11.4946

g/cm³

Volume

314.93

Å³

Cell a

5.7077

Cell b

5.7077

Cell c

9.6675

α Angle

90.00

β Angle

90.00

γ Angle

90.51

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
18.05	4.9149	4.6	(1,0,1)
18.35	4.8337	3.6	(0,0,2)
21.93	4.0539	3.5	(1,-1,0)
22.12	4.0180	3.6	(1,1,0)
31.35	2.8537	92.9	(2,0,0)
31.89	2.8061	37.4	(1,0,3)
35.03	2.5616	50.4	(2,-1,0)
35.29	2.5434	49.8	(2,1,0)
35.59	2.5226	100.0	(1,-1,3)
35.72	2.5139	99.0	(1,1,3)
39.83	2.2634	2.0	(2,-1,2)
40.06	2.2509	2.1	(2,1,2)
44.71	2.0269	13.1	(2,-2,0)
45.13	2.0090	12.6	(2,2,0)
45.22	2.0052	10.0	(2,-1,3)
45.43	1.9965	10.0	(2,1,3)
49.42	1.8443	2.2	(2,0,4)
49.79	1.8313	1.2	(1,0,5)
50.43	1.8097	4.5	(3,-1,0)
50.72	1.8001	4.7	(3,1,0)
51.37	1.7788	1.8	(3,-1,1)
51.65	1.7697	1.4	(3,1,1)
53.40	1.7158	7.5	(2,-2,3)
53.77	1.7048	7.7	(2,2,3)

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Energy Properties

Formation Energy/atom

-0.52416

eV/atom

Energy/atom

-28.68624

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-28.6862

eV/atom

Volume/atom

15.75

Å³

c/a Ratio

1.6938

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0044

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

Tm · 0.400

Element Family

Lanthanide

Solute Fraction

0.600

Interstitial Fraction

0.400

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.1674

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.7057

J/mol·K

Ω Parameter

1.2610

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

34.310%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.6126

smaller = more stable mixing

VEC

7.950

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-22.900

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8421

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfnwg

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3296078

Reference Citation

The crystal structure and related material properties of Tm8TaW3C8 were obtained from the Materials Project database (MP-ID: mp-3296078, 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_Tm8TaW3C8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.70770368
_cell_length_b   5.70770377
_cell_length_c   9.66746447
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.50960430
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tm8TaW3C8
_chemical_formula_sum   'Tm8 Ta1 W3 C8'
_cell_volume   314.93305808
_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
  Tm  Tm0  1  0.19924427  0.19924427  0.34313662  1.0
  Tm  Tm1  1  0.79922429  0.79922429  0.65658820  1.0
  Tm  Tm2  1  0.29797814  0.70163651  0.84082233  1.0
  Tm  Tm3  1  0.79922429  0.79922429  0.34341180  1.0
  Tm  Tm4  1  0.19924427  0.19924427  0.65686338  1.0
  Tm  Tm5  1  0.70163651  0.29797814  0.15917767  1.0
  Tm  Tm6  1  0.70163651  0.29797814  0.84082233  1.0
  Tm  Tm7  1  0.29797814  0.70163651  0.15917767  1.0
  Ta  Ta8  1  0.18404751  0.18404751  0.00000000  1.0
  W  W9  1  0.82408361  0.82408361  0.00000000  1.0
  W  W10  1  0.32152039  0.67745280  0.50000000  1.0
  W  W11  1  0.67745280  0.32152039  0.50000000  1.0
  C  C12  1  0.99881152  0.99881152  0.15824476  1.0
  C  C13  1  0.50007855  0.50007855  0.34247540  1.0
  C  C14  1  0.50007855  0.50007855  0.65752460  1.0
  C  C15  1  0.50592341  0.99271363  0.00000000  1.0
  C  C16  1  0.99271363  0.50592341  0.00000000  1.0
  C  C17  1  0.99881152  0.99881152  0.84175524  1.0
  C  C18  1  0.50046549  0.99984560  0.50000000  1.0
  C  C19  1  0.99984560  0.50046549  0.50000000  1.0

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