Sc3B4Os10W3

High-Entropy Materials HEA

MP-ID: mp-3292214 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

Sc3B4Os10W3

MP-ID

mp-3292214

Elements

Sites

Density

16.0954

g/cm³

Volume

271.53

Å³

Cell a

9.4852

Cell b

9.4852

Cell c

3.0181

α Angle

90.00

β Angle

90.00

γ Angle

90.27

Space Group

Amm2

Point Group

mm2

Crystal System

Orthorhombic

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
9.32	9.4851	28.6	(1,0,0)
13.17	6.7227	32.9	(1,-1,0)
18.71	4.7426	31.1	(2,0,0)
20.90	4.2498	5.8	(2,-1,0)
20.98	4.2340	19.3	(2,1,0)
26.52	3.3614	1.0	(2,-2,0)
29.60	3.0181	52.7	(0,0,1)
29.74	3.0037	2.3	(1,-3,0)
29.74	3.0037	2.3	(3,-1,0)
29.83	2.9953	3.0	(3,1,0)
31.10	2.8760	1.2	(1,0,1)
32.52	2.7534	12.9	(1,-1,1)
32.55	2.7512	5.5	(1,1,1)
34.01	2.6364	23.6	(3,-2,0)
34.16	2.6250	29.1	(3,2,0)
36.52	2.4607	39.6	(2,-1,1)
36.56	2.4576	36.0	(2,1,1)
37.94	2.3713	19.5	(0,4,0)
37.94	2.3713	19.5	(4,0,0)
39.11	2.3030	55.0	(4,-1,0)
39.20	2.2980	57.2	(4,1,0)
40.15	2.2457	25.7	(2,-2,1)
40.24	2.2410	41.7	(2,2,1)
40.24	2.2409	4.8	(3,-3,0)

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Energy Properties

Formation Energy/atom

-0.41727

eV/atom

Energy/atom

-37.79410

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-37.7941

eV/atom

Volume/atom

13.58

Å³

c/a Ratio

0.3182

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0037

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000010

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Os · 0.500

Element Family

5d-TM

Solute Fraction

0.500

Interstitial Fraction

0.200

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.2376

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.2894

J/mol·K

Ω Parameter

0.9075

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

17.078%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3112

smaller = more stable mixing

VEC

5.950

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-33.438

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8927

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfidq

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3292214

Reference Citation

The crystal structure and related material properties of Sc3B4Os10W3 were obtained from the Materials Project database (MP-ID: mp-3292214, 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_Sc3B4Os10W3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.48520743
_cell_length_b   9.48520852
_cell_length_c   3.01810001
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.26798255
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc3B4Os10W3
_chemical_formula_sum   'Sc3 B4 Os10 W3'
_cell_volume   271.53298316
_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  0.17598960  0.82401040  0.00000000  1.0
  Sc  Sc1  1  0.32370432  0.32557730  0.00000000  1.0
  Sc  Sc2  1  0.67442270  0.67629568  0.00000000  1.0
  B  B3  1  0.61939425  0.38060575  0.00000000  1.0
  B  B4  1  0.38120420  0.61879580  0.00000000  1.0
  B  B5  1  0.12325933  0.12121363  0.00000000  1.0
  B  B6  1  0.87878637  0.87674067  0.00000000  1.0
  Os  Os7  1  0.50255124  0.49744876  0.50000000  1.0
  Os  Os8  1  0.99239215  0.00760785  0.50000000  1.0
  Os  Os9  1  0.58041374  0.21272265  0.50000000  1.0
  Os  Os10  1  0.43155173  0.78244466  0.50000000  1.0
  Os  Os11  1  0.06094128  0.28198138  0.50000000  1.0
  Os  Os12  1  0.92844558  0.71772040  0.50000000  1.0
  Os  Os13  1  0.28227960  0.07155442  0.50000000  1.0
  Os  Os14  1  0.71801862  0.93905872  0.50000000  1.0
  Os  Os15  1  0.21755534  0.56844827  0.50000000  1.0
  Os  Os16  1  0.78727735  0.41958626  0.50000000  1.0
  W  W17  1  0.49579396  0.99729160  0.00000000  1.0
  W  W18  1  0.00270840  0.50420604  0.00000000  1.0
  W  W19  1  0.82330924  0.17669076  0.00000000  1.0

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