Yb7Ho(Si4W3)4

High-Entropy Materials HEA

MP-ID: mp-3293132 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

Yb7Ho(Si4W3)4

MP-ID

mp-3293132

Elements

Sites

Density

11.2796

g/cm³

Volume

593.53

Å³

Cell a

6.6728

Cell b

6.8807

Cell c

12.9270

α Angle

89.94

β Angle

90.03

γ Angle

89.92

Space Group

Point Group

Crystal System

Triclinic

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
13.70	6.4635	15.6	(0,0,2)
14.58	6.0767	24.2	(0,1,1)
14.59	6.0710	26.3	(0,1,-1)
18.51	4.7937	3.0	(1,1,0)
18.54	4.7867	2.9	(1,-1,0)
19.75	4.4953	2.4	(1,1,1)
19.76	4.4939	1.7	(1,1,-1)
19.77	4.4905	1.9	(1,-1,-1)
19.79	4.4872	2.5	(1,-1,1)
23.09	3.8512	21.1	(1,1,2)
23.11	3.8495	20.8	(1,1,-2)
23.11	3.8488	21.3	(1,-1,-2)
23.13	3.8447	20.1	(1,-1,2)
24.36	3.6539	7.2	(0,1,3)
24.39	3.6501	6.8	(0,1,-3)
25.90	3.4404	17.7	(0,2,0)
26.72	3.3364	4.4	(2,0,0)
27.60	3.2318	87.0	(0,0,4)
27.61	3.2309	2.3	(2,0,-1)
27.62	3.2302	2.9	(2,0,1)
27.83	3.2054	32.8	(1,1,3)
27.84	3.2043	32.7	(1,-1,-3)
27.85	3.2039	33.4	(1,1,-3)
27.87	3.2008	31.3	(1,-1,3)

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Energy Properties

Formation Energy/atom

-0.56176

eV/atom

Energy/atom

-29.60011

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-29.6001

eV/atom

Volume/atom

16.49

Å³

c/a Ratio

1.9373

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0024

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

Si · 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

1.1446

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.5161

J/mol·K

Ω Parameter

1.2006

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

16.294%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4550

smaller = more stable mixing

VEC

6.806

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-17.778

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8256

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfjmy

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3293132

Reference Citation

The crystal structure and related material properties of Yb7Ho(Si4W3)4 were obtained from the Materials Project database (MP-ID: mp-3293132, 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_Yb7Ho(Si4W3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.67283382
_cell_length_b   6.88070817
_cell_length_c   12.92701654
_cell_angle_alpha   89.93502905
_cell_angle_beta   90.02607247
_cell_angle_gamma   89.91680918
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Yb7Ho(Si4W3)4
_chemical_formula_sum   'Yb7 Ho1 Si16 W12'
_cell_volume   593.52766961
_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  0.49919678  0.33334044  0.09029405  1.0
  Yb  Yb1  1  0.99865511  0.16718893  0.40949098  1.0
  Yb  Yb2  1  0.50054606  0.66714759  0.59071857  1.0
  Yb  Yb3  1  0.00066096  0.83035447  0.90738424  1.0
  Yb  Yb4  1  0.50089351  0.66776355  0.90860192  1.0
  Yb  Yb5  1  0.00093288  0.83203432  0.59070858  1.0
  Yb  Yb6  1  0.49906707  0.33357385  0.41022054  1.0
  Ho  Ho7  1  0.99982932  0.17047829  0.09344397  1.0
  Si  Si8  1  0.79928677  0.63167610  0.74948079  1.0
  Si  Si9  1  0.30037857  0.86733749  0.74976055  1.0
  Si  Si10  1  0.20191013  0.36871332  0.25143510  1.0
  Si  Si11  1  0.69715291  0.13330142  0.25133380  1.0
  Si  Si12  1  0.53610754  0.37859488  0.75010533  1.0
  Si  Si13  1  0.03614400  0.11952379  0.74950870  1.0
  Si  Si14  1  0.46418698  0.62239593  0.24950481  1.0
  Si  Si15  1  0.96323325  0.87763419  0.25066455  1.0
  Si  Si16  1  0.66052450  0.04210269  0.54464645  1.0
  Si  Si17  1  0.16152262  0.45852683  0.95547622  1.0
  Si  Si18  1  0.33920707  0.95738409  0.04397448  1.0
  Si  Si19  1  0.83965781  0.54251975  0.45547148  1.0
  Si  Si20  1  0.33960350  0.95771753  0.45559579  1.0
  Si  Si21  1  0.83882070  0.54415591  0.04380131  1.0
  Si  Si22  1  0.66169101  0.04144223  0.95524168  1.0
  Si  Si23  1  0.16020745  0.45738277  0.54476532  1.0
  W  W24  1  0.66116650  0.01135406  0.75009881  1.0
  W  W25  1  0.16043811  0.48706044  0.75028449  1.0
  W  W26  1  0.33792589  0.98962088  0.24963862  1.0
  W  W27  1  0.83867160  0.51032592  0.24917216  1.0
  W  W28  1  0.83662864  0.33092265  0.62731943  1.0
  W  W29  1  0.33619716  0.16808435  0.87305725  1.0
  W  W30  1  0.16323288  0.66826466  0.12641133  1.0
  W  W31  1  0.66339044  0.83143974  0.37270967  1.0
  W  W32  1  0.16349277  0.66883680  0.37233099  1.0
  W  W33  1  0.66474250  0.83328948  0.12672739  1.0
  W  W34  1  0.83806351  0.33030979  0.87333450  1.0
  W  W35  1  0.33663650  0.16819886  0.62728720  1.0

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