Sc5B4SbRh10

High-Entropy Materials HEA

MP-ID: mp-3292578 · Space group: P4/m (#83)

Materials Project API

Basic Information

Formula

Sc5B4SbRh10

MP-ID

mp-3292578

Elements

Sites

Density

8.4872

g/cm³

Volume

277.60

Å³

Cell a

9.3639

Cell b

9.3639

Cell c

3.1659

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

P4/m

Point Group

4/m

Crystal System

Tetragonal

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
9.44	9.3639	12.3	(1,0,0)
18.95	4.6820	8.8	(2,0,0)
21.22	4.1877	22.9	(2,1,0)
28.19	3.1659	40.7	(0,0,1)
29.79	2.9991	1.5	(1,0,1)
30.18	2.9611	4.2	(3,1,0)
31.32	2.8562	10.0	(1,1,1)
34.54	2.5971	31.0	(3,2,0)
35.55	2.5254	55.0	(2,1,1)
38.45	2.3410	20.8	(4,0,0)
39.38	2.2881	37.2	(2,2,1)
39.69	2.2711	64.3	(4,1,0)
40.89	2.2071	6.8	(3,3,0)
41.77	2.1626	100.0	(3,1,1)
43.21	2.0938	54.1	(4,2,0)
45.16	2.0079	44.1	(3,2,1)
48.35	1.8823	10.3	(4,0,1)
48.62	1.8728	2.0	(5,0,0)
49.39	1.8454	21.9	(4,1,1)
49.64	1.8364	1.8	(5,1,0)
50.40	1.8106	5.7	(3,3,1)
52.39	1.7464	11.9	(4,2,1)
52.64	1.7388	2.5	(5,2,0)
55.51	1.6553	1.9	(4,4,0)

Get direct link

Energy Properties

Formation Energy/atom

-0.90407

eV/atom

Energy/atom

-18.57639

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-18.5764

eV/atom

Volume/atom

13.88

Å³

c/a Ratio

0.3381

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0003

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

Rh · 0.500

Element Family

4d-TM

Solute Fraction

0.500

Interstitial Fraction

0.200

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.1648

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.6843

J/mol·K

Ω Parameter

0.5223

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

18.262%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3768

smaller = more stable mixing

VEC

6.100

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-38.696

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8402

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfirq

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3292578

Reference Citation

The crystal structure and related material properties of Sc5B4SbRh10 were obtained from the Materials Project database (MP-ID: mp-3292578, 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_Sc5B4SbRh10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.36394325
_cell_length_b   9.36394325
_cell_length_c   3.16592350
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc5B4SbRh10
_chemical_formula_sum   'Sc5 B4 Sb1 Rh10'
_cell_volume   277.59904173
_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
  Sc  Sc0  1  0.82480485  0.32618403  0.00000000  1.0
  Sc  Sc1  1  0.32618403  0.17519515  0.00000000  1.0
  Sc  Sc2  1  0.67381597  0.82480485  0.00000000  1.0
  Sc  Sc3  1  0.17519515  0.67381597  0.00000000  1.0
  Sc  Sc4  1  0.50000000  0.50000000  0.00000000  1.0
  B  B5  1  0.62091191  0.12393819  0.00000000  1.0
  B  B6  1  0.12393819  0.37908809  0.00000000  1.0
  B  B7  1  0.87606181  0.62091191  0.00000000  1.0
  B  B8  1  0.37908809  0.87606181  0.00000000  1.0
  Sb  Sb9  1  0.00000000  0.00000000  0.00000000  1.0
  Rh  Rh10  1  0.07054998  0.22169935  0.50000000  1.0
  Rh  Rh11  1  0.22169935  0.92945002  0.50000000  1.0
  Rh  Rh12  1  0.77830065  0.07054998  0.50000000  1.0
  Rh  Rh13  1  0.92945002  0.77830065  0.50000000  1.0
  Rh  Rh14  1  0.42737828  0.72367068  0.50000000  1.0
  Rh  Rh15  1  0.57262172  0.27632932  0.50000000  1.0
  Rh  Rh16  1  0.72367068  0.57262172  0.50000000  1.0
  Rh  Rh17  1  0.27632932  0.42737828  0.50000000  1.0
  Rh  Rh18  1  0.50000000  0.00000000  0.50000000  1.0
  Rh  Rh19  1  0.00000000  0.50000000  0.50000000  1.0

Get direct link