YbHo2Ga8Ag3

High-Entropy Materials HEA

MP-ID: mp-3294491 · Space group: Immm (#71)

Materials Project API

Basic Information

Formula

YbHo2Ga8Ag3

MP-ID

mp-3294491

Elements

Sites

Density

8.7987

g/cm³

Volume

261.25

Å³

Cell a

4.2568

Cell b

8.2908

Cell c

8.2908

α Angle

70.10

β Angle

75.12

γ Angle

75.12

Space Group

Immm

Point Group

mmm

Crystal System

Orthorhombic

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
11.55	7.6591	3.1	(0,1,0)
13.74	6.4451	1.4	(0,1,1)
18.64	4.7612	4.9	(0,1,-1)
22.70	3.9165	3.1	(0,2,1)
22.88	3.8862	13.0	(1,1,0)
23.23	3.8296	2.0	(0,2,0)
27.68	3.2225	2.4	(0,2,2)
28.97	3.0821	2.6	(0,2,-1)
28.98	3.0814	14.6	(1,2,0)
29.54	3.0240	20.4	(1,2,2)
33.58	2.6687	25.7	(0,3,1)
35.15	2.5530	38.9	(0,3,0)
35.16	2.5527	100.0	(1,3,1)
35.16	2.5527	100.0	(1,0,-2)
35.27	2.5446	35.9	(1,2,-1)
36.09	2.4885	7.7	(0,3,2)
36.21	2.4806	16.7	(1,3,2)
36.21	2.4806	16.7	(1,-1,-2)
37.79	2.3806	15.2	(0,2,-2)
38.02	2.3668	49.0	(1,3,0)
40.39	2.2331	1.4	(0,3,-1)
40.93	2.2052	11.4	(1,3,3)
42.06	2.1484	39.8	(0,3,3)
42.47	2.1284	64.9	(2,1,1)

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Energy Properties

Formation Energy/atom

-0.47693

eV/atom

Energy/atom

-18.89850

eV/atom

Energy above Hull

0.0034

eV/atom

Uncorrected Energy

-18.8985

eV/atom

Volume/atom

18.66

Å³

c/a Ratio

1.9477

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

Ga · 0.571

Element Family

PostTransition-Noble

Solute Fraction

0.429

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.1164

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.2815

J/mol·K

Ω Parameter

1.0099

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

10.866%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2748

smaller = more stable mixing

VEC

6.643

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-7.020

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8053

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahflnf

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3294491

Reference Citation

The crystal structure and related material properties of YbHo2Ga8Ag3 were obtained from the Materials Project database (MP-ID: mp-3294491, 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_YbHo2Ga8Ag3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.25683429
_cell_length_b   8.29084113
_cell_length_c   8.29084115
_cell_angle_alpha   70.09681795
_cell_angle_beta   75.12452330
_cell_angle_gamma   75.12452449
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YbHo2Ga8Ag3
_chemical_formula_sum   'Yb1 Ho2 Ga8 Ag3'
_cell_volume   261.25168768
_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  0.50000000  0.50000000  0.50000000  1.0
  Ho  Ho1  1  0.19933910  0.80066090  0.80066090  1.0
  Ho  Ho2  1  0.80066090  0.19933910  0.19933910  1.0
  Ga  Ga3  1  0.35519723  0.36512615  0.92447939  1.0
  Ga  Ga4  1  0.64480277  0.63487385  0.07552061  1.0
  Ga  Ga5  1  0.35519723  0.92447939  0.36512615  1.0
  Ga  Ga6  1  0.64480277  0.07552061  0.63487385  1.0
  Ga  Ga7  1  0.15920992  0.47101135  0.21056880  1.0
  Ga  Ga8  1  0.84079008  0.52898865  0.78943120  1.0
  Ga  Ga9  1  0.15920992  0.21056880  0.47101135  1.0
  Ga  Ga10  1  0.84079008  0.78943120  0.52898865  1.0
  Ag  Ag11  1  0.50000000  0.00000000  0.00000000  1.0
  Ag  Ag12  1  0.00000000  0.80367711  0.19632289  1.0
  Ag  Ag13  1  1.00000000  0.19632289  0.80367711  1.0

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