Yb4GaSb

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3253484 · Space group: Pmc2_1 (#26)

Materials Project API

Basic Information

Formula

Yb4GaSb

MP-ID

mp-3253484

Elements

Sites

Density

8.6807

g/cm³

Volume

338.07

Å³

Cell a

4.9660

Cell b

7.4224

Cell c

9.1717

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

Pmc2_1

Point Group

mm2

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
20.34	4.3670	1.1	(1,0,1)
22.79	3.9013	2.4	(0,1,2)
23.64	3.7639	6.8	(1,1,1)
25.90	3.4403	1.5	(0,2,1)
26.46	3.3691	2.0	(1,0,2)
29.11	3.0678	72.8	(1,1,2)
30.06	2.9728	36.1	(1,2,0)
31.00	2.8849	33.0	(0,2,2)
31.64	2.8279	100.0	(1,2,1)
31.65	2.8268	25.4	(0,1,3)
34.45	2.6034	65.9	(1,0,3)
36.00	2.4945	3.5	(1,2,2)
36.18	2.4830	54.8	(2,0,0)
36.58	2.4567	8.4	(1,1,3)
37.66	2.3888	21.7	(0,3,1)
38.14	2.3597	13.3	(0,2,3)
39.29	2.2929	3.4	(0,0,4)
41.21	2.1908	1.2	(0,1,4)
41.47	2.1775	8.5	(0,3,2)
41.97	2.1527	2.8	(1,3,1)
42.41	2.1313	7.1	(1,2,3)
45.24	2.0044	6.1	(1,1,4)
46.56	1.9507	4.3	(0,2,4)
47.26	1.9233	3.9	(0,3,3)

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Energy Properties

Formation Energy/atom

-0.50188

eV/atom

Energy/atom

-31.04632

eV/atom

Energy above Hull

0.1027

eV/atom

Uncorrected Energy

-31.0463

eV/atom

Volume/atom

28.17

Å³

c/a Ratio

1.8469

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0001

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

Yb · 0.667

Element Family

Lanthanide

Solute Fraction

0.333

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.8676

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.2129

J/mol·K

Ω Parameter

4.3960

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

10.255%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3974

smaller = more stable mixing

VEC

10.667

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-1.530

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7897

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.557

Family

Yb-rich Multi-Component

Matrix Element

Yb · 0.667

Related Tasks

Related computation task IDs (1)

aaahdcwa

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3253484

Reference Citation

The crystal structure and related material properties of Yb4GaSb were obtained from the Materials Project database (MP-ID: mp-3253484, 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_Yb4GaSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96597971
_cell_length_b   7.42243547
_cell_length_c   9.17172399
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Yb4GaSb
_chemical_formula_sum   'Yb8 Ga2 Sb2'
_cell_volume   338.06666411
_cell_formula_units_Z   2
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  0.25000000  0.82936296  0.94372494  1.0
  Yb  Yb1  1  0.25000000  0.32936296  0.55627506  1.0
  Yb  Yb2  1  0.75000000  0.15913114  0.09385521  1.0
  Yb  Yb3  1  0.75000000  0.65913114  0.40614479  1.0
  Yb  Yb4  1  0.25000000  0.98561279  0.31640746  1.0
  Yb  Yb5  1  0.25000000  0.48561279  0.18359254  1.0
  Yb  Yb6  1  0.75000000  0.02631001  0.69545492  1.0
  Yb  Yb7  1  0.75000000  0.52631001  0.80454508  1.0
  Ga  Ga8  1  0.75000000  0.74790683  0.09547090  1.0
  Ga  Ga9  1  0.75000000  0.24790683  0.40452910  1.0
  Sb  Sb10  1  0.25000000  0.25167726  0.89071075  1.0
  Sb  Sb11  1  0.25000000  0.75167726  0.60928925  1.0

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