YHo7(WC2)4

High-Entropy Materials HEA

MP-ID: mp-3296096 · Space group: Cm (#8)

Materials Project API

Basic Information

Formula

YHo7(WC2)4

MP-ID

mp-3296096

Elements

Sites

Density

10.7875

g/cm³

Volume

319.39

Å³

Cell a

5.7063

Cell b

5.7063

Cell c

9.8088

α Angle

89.94

β Angle

89.94

γ Angle

89.97

Space Group

Point Group

Crystal System

Monoclinic

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
9.02	9.8088	2.2	(0,0,1)
15.53	5.7063	1.3	(1,0,0)
17.98	4.9348	6.9	(1,0,1)
17.99	4.9299	1.7	(1,0,-1)
18.09	4.9044	6.9	(0,0,2)
22.02	4.0358	6.1	(1,1,0)
22.03	4.0340	2.2	(1,-1,0)
31.35	2.8531	89.7	(2,0,0)
31.52	2.8383	21.3	(1,0,3)
31.55	2.8355	19.6	(1,0,-3)
35.16	2.5524	50.6	(2,1,0)
35.17	2.5515	53.8	(2,-1,0)
35.30	2.5425	50.5	(1,1,3)
35.34	2.5401	100.0	(1,-1,3)
35.36	2.5385	51.3	(1,1,-3)
39.79	2.2655	1.2	(2,1,2)
39.83	2.2630	2.2	(2,-1,-2)
39.84	2.2627	1.0	(2,1,-2)
39.84	2.2627	1.0	(1,2,-2)
44.92	2.0179	12.8	(2,2,0)
44.94	2.0170	11.6	(2,-2,0)
45.03	2.0134	4.7	(2,1,3)
45.06	2.0120	5.9	(2,-1,3)
45.08	2.0110	6.4	(2,-1,-3)

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Energy Properties

Formation Energy/atom

-0.47173

eV/atom

Energy/atom

-27.24833

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-27.2483

eV/atom

Volume/atom

15.97

Å³

c/a Ratio

1.7190

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0179

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000060

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

C · 0.400

Element Family

Metalloid-Nonmetal

Solute Fraction

0.600

Interstitial Fraction

0.400

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.2056

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.0236

J/mol·K

Ω Parameter

1.0531

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

34.466%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.6201

smaller = more stable mixing

VEC

6.800

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-28.222

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8697

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfnwy

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3296096

Reference Citation

The crystal structure and related material properties of YHo7(WC2)4 were obtained from the Materials Project database (MP-ID: mp-3296096, 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_YHo7(WC2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.70627228
_cell_length_b   5.70627178
_cell_length_c   9.80879180
_cell_angle_alpha   89.93528204
_cell_angle_beta   89.93527848
_cell_angle_gamma   89.97445227
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YHo7(WC2)4
_chemical_formula_sum   'Y1 Ho7 W4 C8'
_cell_volume   319.38893198
_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
  Y  Y0  1  0.80043435  0.80043435  0.65793012  1.0
  Ho  Ho1  1  0.19972615  0.19972615  0.34212463  1.0
  Ho  Ho2  1  0.30045193  0.69975809  0.84275326  1.0
  Ho  Ho3  1  0.69975809  0.30045193  0.84275326  1.0
  Ho  Ho4  1  0.70006188  0.30058580  0.15778440  1.0
  Ho  Ho5  1  0.30058580  0.70006188  0.15778440  1.0
  Ho  Ho6  1  0.19965329  0.19965329  0.65752112  1.0
  Ho  Ho7  1  0.79997962  0.79997962  0.34209165  1.0
  W  W8  1  0.32128307  0.67796269  0.49956680  1.0
  W  W9  1  0.82201978  0.82201978  0.00065801  1.0
  W  W10  1  0.17891472  0.17891472  0.00030138  1.0
  W  W11  1  0.67796269  0.32128307  0.49956680  1.0
  C  C12  1  0.00023583  0.00023583  0.15494277  1.0
  C  C13  1  0.49858675  0.49858675  0.65450934  1.0
  C  C14  1  0.49855604  0.00008770  0.49884936  1.0
  C  C15  1  0.49990752  0.49990752  0.34505879  1.0
  C  C16  1  0.00100525  0.00100525  0.84621688  1.0
  C  C17  1  0.50041157  0.00038098  0.00036833  1.0
  C  C18  1  0.00038098  0.50041157  0.00036833  1.0
  C  C19  1  0.00008770  0.49855604  0.49884936  1.0

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