Yb4GaBi

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3248936 · Space group: Pmc2_1 (#26)

Materials Project API

Basic Information

Formula

Yb4GaBi

MP-ID

mp-3248936

Elements

Sites

Density

9.2605

g/cm³

Volume

348.18

Å³

Cell a

5.0180

Cell b

7.4900

Cell c

9.2640

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
9.55	9.2640	3.0	(0,0,1)
15.21	5.8244	4.6	(0,1,1)
17.67	5.0180	5.6	(1,0,0)
23.76	3.7450	2.6	(0,2,0)
25.66	3.4720	3.0	(0,2,1)
26.18	3.4036	2.7	(1,0,2)
28.81	3.0987	68.8	(1,1,2)
29.77	3.0013	34.4	(1,2,0)
30.70	2.9122	30.1	(0,2,2)
31.33	2.8552	100.0	(1,2,1)
31.33	2.8549	23.2	(0,1,3)
34.09	2.6299	67.3	(1,0,3)
35.65	2.5188	3.3	(1,2,2)
35.79	2.5090	54.5	(2,0,0)
36.20	2.4814	10.6	(1,1,3)
37.30	2.4106	17.5	(0,3,1)
37.76	2.3825	12.6	(0,2,3)
38.89	2.3160	4.7	(0,0,4)
39.09	2.3043	1.0	(2,1,1)
41.07	2.1977	12.0	(0,3,2)
41.56	2.1729	5.1	(1,3,1)
41.98	2.1522	11.0	(1,2,3)
43.41	2.0844	1.1	(2,2,0)
44.56	2.0336	1.4	(2,2,1)

Get direct link

Energy Properties

Formation Energy/atom

-0.37743

eV/atom

Energy/atom

-36.38785

eV/atom

Energy above Hull

0.0157

eV/atom

Uncorrected Energy

-36.3879

eV/atom

Volume/atom

29.01

Å³

c/a Ratio

1.8462

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0115

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000030

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

6.0858

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

8.947%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3889

smaller = more stable mixing

VEC

10.667

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-1.034

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7897

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.615

Family

Yb-rich Multi-Component

Matrix Element

Yb · 0.667

Related Tasks

Related computation task IDs (1)

aaahcwdc

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3248936

Reference Citation

The crystal structure and related material properties of Yb4GaBi were obtained from the Materials Project database (MP-ID: mp-3248936, 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

Loading 3D structure…

Style: Ball & Stick | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_Yb4GaBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01797402
_cell_length_b   7.48994857
_cell_length_c   9.26395451
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Yb4GaBi
_chemical_formula_sum   'Yb8 Ga2 Bi2'
_cell_volume   348.17986884
_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  0.82668782  0.94647895  1.0
  Yb  Yb1  1  0.25000000  0.32668782  0.55352105  1.0
  Yb  Yb2  1  0.75000000  0.15705744  0.09645484  1.0
  Yb  Yb3  1  0.75000000  0.65705744  0.40354516  1.0
  Yb  Yb4  1  0.25000000  0.98633325  0.31426750  1.0
  Yb  Yb5  1  0.25000000  0.48633325  0.18573250  1.0
  Yb  Yb6  1  0.75000000  0.02910445  0.69395869  1.0
  Yb  Yb7  1  0.75000000  0.52910445  0.80604131  1.0
  Ga  Ga8  1  0.75000000  0.74814317  0.09576775  1.0
  Ga  Ga9  1  0.75000000  0.24814317  0.40423225  1.0
  Bi  Bi10  1  0.25000000  0.25267488  0.89103959  1.0
  Bi  Bi11  1  0.25000000  0.75267488  0.60896041  1.0

Get direct link