Yb2Mo3W5C8

High-Entropy Materials HEA

MP-ID: mp-3296795 · Space group: Pm (#6)

Materials Project API

Basic Information

Formula

Yb2Mo3W5C8

MP-ID

mp-3296795

Elements

Sites

Density

12.0911

g/cm³

Volume

226.49

Å³

Cell a

8.3263

Cell b

8.3175

Cell c

3.2707

α Angle

90.00

β Angle

90.00

γ Angle

90.66

Space Group

Point Group

Crystal System

Monoclinic

Bravais Lattice

Stability

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
10.63	8.3258	1.4	(1,0,0)
10.64	8.3169	4.8	(0,1,0)
14.97	5.9184	1.6	(1,-1,0)
21.34	4.1629	1.0	(2,0,0)
21.37	4.1585	1.7	(0,2,0)
23.81	3.7375	3.5	(1,-2,0)
24.02	3.7055	3.9	(2,1,0)
24.03	3.7032	1.9	(1,2,0)
27.27	3.2707	2.9	(0,0,1)
29.34	3.0442	1.0	(1,0,1)
29.34	3.0438	3.1	(0,1,1)
30.20	2.9592	3.1	(2,-2,0)
30.56	2.9252	5.8	(2,2,0)
31.25	2.8626	1.5	(1,-1,1)
33.93	2.6417	49.2	(3,-1,0)
33.96	2.6395	8.2	(1,-3,0)
34.18	2.6235	6.8	(3,1,0)
34.21	2.6213	48.6	(1,3,0)
36.50	2.4620	2.9	(2,-1,1)
36.51	2.4613	100.0	(1,-2,1)
36.65	2.4521	97.6	(2,1,1)
36.66	2.4514	1.6	(1,2,1)
42.73	2.1161	2.8	(3,0,1)
43.48	2.0814	2.3	(4,0,0)

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Energy Properties

Formation Energy/atom

-0.19764

eV/atom

Energy/atom

-27.29162

eV/atom

Energy above Hull

0.0311

eV/atom

Uncorrected Energy

-27.2916

eV/atom

Volume/atom

12.58

Å³

c/a Ratio

0.3928

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0055

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000020

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

C · 0.444

Element Family

Metalloid-Nonmetal

Solute Fraction

0.556

Interstitial Fraction

0.444

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.2590

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.4673

J/mol·K

Ω Parameter

0.6975

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

31.203%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4373

smaller = more stable mixing

VEC

6.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-49.975

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9082

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfoxv

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3296795

Reference Citation

The crystal structure and related material properties of Yb2Mo3W5C8 were obtained from the Materials Project database (MP-ID: mp-3296795, 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_Yb2Mo3W5C8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.32630643
_cell_length_b   8.31747496
_cell_length_c   3.27068610
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.66233032
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Yb2Mo3W5C8
_chemical_formula_sum   'Yb2 Mo3 W5 C8'
_cell_volume   226.49245539
_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
  Yb  Yb0  1  0.00030621  0.00073113  0.00000000  1.0
  Yb  Yb1  1  0.49984765  0.49992688  0.50000000  1.0
  Mo  Mo2  1  0.32071073  0.87253388  0.50000000  1.0
  Mo  Mo3  1  0.12794390  0.32022267  0.50000000  1.0
  Mo  Mo4  1  0.67937363  0.12674594  0.50000000  1.0
  W  W5  1  0.37198894  0.18217492  0.00000000  1.0
  W  W6  1  0.17901777  0.62673233  0.00000000  1.0
  W  W7  1  0.62753742  0.81892626  0.00000000  1.0
  W  W8  1  0.87182746  0.67921378  0.50000000  1.0
  W  W9  1  0.82040254  0.37262247  0.00000000  1.0
  C  C10  1  0.76661513  0.89893988  0.50000000  1.0
  C  C11  1  0.23587510  0.10097759  0.50000000  1.0
  C  C12  1  0.90093792  0.23390265  0.50000000  1.0
  C  C13  1  0.26817442  0.40016889  0.00000000  1.0
  C  C14  1  0.39991894  0.73136473  0.00000000  1.0
  C  C15  1  0.09913793  0.76690273  0.50000000  1.0
  C  C16  1  0.59970870  0.26830811  0.00000000  1.0
  C  C17  1  0.73067561  0.59960417  0.00000000  1.0

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