Yb2CdBiSb

High-Entropy Materials HEA

MP-ID: mp-3252411 · Space group: Cmc2_1 (#36)

Materials Project API

Basic Information

Formula

Yb2CdBiSb

MP-ID

mp-3252411

Elements

Sites

Density

8.8651

g/cm³

Volume

295.66

Å³

Cell a

9.0824

Cell b

9.0824

Cell c

7.2318

α Angle

90.00

β Angle

90.00

γ Angle

150.29

Space Group

Cmc2_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
10.08	8.7788	1.3	(1,-1,0)
15.88	5.5817	4.2	(1,-1,1)
19.72	4.5015	9.0	(1,0,0)
23.28	3.8216	3.6	(1,0,1)
23.71	3.7523	4.5	(2,-2,1)
24.43	3.6442	17.9	(2,-1,0)
24.62	3.6159	28.7	(0,0,2)
26.66	3.3434	39.0	(1,-1,2)
27.41	3.2543	8.8	(1,-2,1)
27.41	3.2543	8.8	(2,-1,1)
30.55	2.9263	4.7	(3,-3,0)
31.74	2.8190	14.9	(0,1,2)
31.74	2.8190	14.9	(1,0,2)
31.92	2.8038	51.3	(2,-3,0)
31.92	2.8038	51.3	(3,-2,0)
32.07	2.7909	12.7	(2,-2,2)
33.02	2.7126	7.7	(3,-3,1)
34.30	2.6142	2.0	(2,-3,1)
34.30	2.6142	2.0	(3,-2,1)
34.96	2.5668	100.0	(2,-1,2)
38.67	2.3286	44.2	(1,1,0)
38.74	2.3245	4.2	(1,-1,3)
39.62	2.2747	6.2	(3,-3,2)
40.72	2.2157	10.0	(2,-3,2)

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Energy Properties

Formation Energy/atom

-0.46387

eV/atom

Energy/atom

-35.93833

eV/atom

Energy above Hull

0.2777

eV/atom

Uncorrected Energy

-35.9383

eV/atom

Volume/atom

29.57

Å³

c/a Ratio

0.7962

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0011

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 · 0.400

Element Family

Lanthanide

Solute Fraction

0.600

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.3322

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

11.0757

J/mol·K

Ω Parameter

2.1366

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

7.592%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4211

smaller = more stable mixing

VEC

10.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-4.392

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9610

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahdbgt

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3252411

Reference Citation

The crystal structure and related material properties of Yb2CdBiSb were obtained from the Materials Project database (MP-ID: mp-3252411, 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_Yb2CdBiSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.08239047
_cell_length_b   9.08239143
_cell_length_c   7.23175251
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   150.28895928
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Yb2CdBiSb
_chemical_formula_sum   'Yb4 Cd2 Bi2 Sb2'
_cell_volume   295.66373371
_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  0.48022552  0.51977448  0.72043923  1.0
  Yb  Yb1  1  0.51977448  0.48022552  0.22043923  1.0
  Yb  Yb2  1  0.69454990  0.30545010  0.53034924  1.0
  Yb  Yb3  1  0.30545010  0.69454990  0.03034924  1.0
  Cd  Cd4  1  0.90356277  0.09643723  0.39287724  1.0
  Cd  Cd5  1  0.09643723  0.90356277  0.89287724  1.0
  Bi  Bi6  1  0.31958253  0.68041747  0.51629597  1.0
  Bi  Bi7  1  0.68041747  0.31958253  0.01629597  1.0
  Sb  Sb8  1  0.06740963  0.93259037  0.49754832  1.0
  Sb  Sb9  1  0.93259037  0.06740963  0.99754832  1.0

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